DTXSID00144933
  Mrv1813 07271812442D          

 14 13  0  0  0  0            999 V2000
    3.4125    1.9410    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1269    1.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    0.2910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414   -0.5340    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0164   -0.5340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414   -1.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269   -1.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -1.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980   -1.7715    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6664   -0.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0789   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6664   -1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414   -1.9629    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00144933

> <Analog_DSSTox_Structure_Id>
DTXCID0067424

> <Analog_Original_SMILES>
S=P(OCCCl)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
S=P(OCCCl)(OCCCl)OCCCl

> <Analog_CASRN>
10235-09-3

> <Analog_preferred_name>
O,O,O-Tris(2-chloroethyl) phosphorothioate

> <Analog - index>
2

> <OFR_ID>
106

> <OFR_DTXSID>
DTXSID0026258

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
140-08-9

> <similarity>
0.875

$$$$
DTXSID00147863
  Mrv1813 07271812442D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.4991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4991    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00147863

> <Analog_DSSTox_Structure_Id>
DTXCID6070354

> <Analog_Original_SMILES>
OP(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
OP(OCCCl)OCCCl

> <Analog_CASRN>
1070-42-4

> <Analog_preferred_name>
Ethanol, 2-chloro-, phosphite (2:1)

> <Analog - index>
1|4

> <OFR_ID>
106|137

> <OFR_DTXSID>
DTXSID0026258|-

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
140-08-9|-

> <similarity>
0.8936170212765957|0.8076923076923077

$$$$
DTXSID00151026
  Mrv1813 07271812442D          

 16 17  0  0  0  0            999 V2000
    4.3292    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00151026

> <Analog_DSSTox_Structure_Id>
DTXCID7073517

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2C=CC=CC=2)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2C=CC=CC=2)=C(Br)C=1Br

> <Analog_CASRN>
115245-10-8

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,4,6-tetrabromo-

> <Analog - index>
38|37|16|9|14|11|1

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8476190476190476|0.8571428571428571|0.9245283018867925|0.9029126213592233|0.8823529411764706|0.9423076923076923|0.98

$$$$
DTXSID00152371
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    4.5078   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00152371

> <Analog_DSSTox_Structure_Id>
DTXCID3074862

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2C(Br)=C(Br)C=C(Br)C=2Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2C(Br)=C(Br)C=C(Br)C=2Br)=C(Br)C=1

> <Analog_CASRN>
119264-58-3

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4',5,6,6'-heptabromo-

> <Analog - index>
61

> <OFR_ID>
33

> <OFR_DTXSID>
DTXSID9074771

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
59080-39-6

> <similarity>
0.82

$$$$
DTXSID00158919
  Mrv1813 07271812442D          

  8  9  0  0  0  0            999 V2000
    1.7080   -1.6274    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -0.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9143    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00158919

> <Analog_DSSTox_Structure_Id>
DTXCID6081410

> <Analog_Original_SMILES>
BrC12CC(CC1)CC2

> <Analog_Canonical_QSARr>
BrC12CC(CC1)CC2

> <Analog_CASRN>
13474-70-9

> <Analog_preferred_name>
Bicyclo(2.2.1)heptane, 1-bromo-

> <Analog - index>
51

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID00162556
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    4.9509    0.2846    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  2  9  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00162556

> <Analog_DSSTox_Structure_Id>
DTXCID9085047

> <Analog_Original_SMILES>
OC1C(Br)=CC=CC=1O

> <Analog_Canonical_QSARr>
OC1C(Br)=CC=CC=1O

> <Analog_CASRN>
14381-51-2

> <Analog_preferred_name>
1,2-Benzenediol, 3-bromo-

> <Analog - index>
17

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.803030303030303

$$$$
DTXSID00184637
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    3.8729    2.3908    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    1.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    0.7408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439   -0.0842    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7765   -0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8564   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113   -0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00184637

> <Analog_DSSTox_Structure_Id>
DTXCID40107128

> <Analog_Original_SMILES>
ClCCOP1OCCO1

> <Analog_Canonical_QSARr>
ClCCOP1OCCO1

> <Analog_CASRN>
3055-74-1

> <Analog_preferred_name>
Phosphorous acid, 2-chloroethyl cyclic ethylene ester

> <Analog - index>
6

> <OFR_ID>
106

> <OFR_DTXSID>
DTXSID0026258

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
140-08-9

> <similarity>
0.8367346938775511

$$$$
DTXSID00187688
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    3.7935    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00187688

> <Analog_DSSTox_Structure_Id>
DTXCID60110179

> <Analog_Original_SMILES>
BrCCCC1CCCCC1

> <Analog_Canonical_QSARr>
BrCCCC1CCCCC1

> <Analog_CASRN>
34094-21-8

> <Analog_preferred_name>
(3-Bromopropyl)cyclohexane

> <Analog - index>
16|36|36|21|73|71

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00192479
  Mrv1813 07271812442D          

 14 13  0  0  0  0            999 V2000
    1.6494   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9363   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2231   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00192479

> <Analog_DSSTox_Structure_Id>
DTXCID60114970

> <Analog_Original_SMILES>
ClCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCCCl

> <Analog_CASRN>
3922-28-9

> <Analog_preferred_name>
1,12-Dichlorododecane

> <Analog - index>
86|86|25|11

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID00194433
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    5.2223   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9354    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9354    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  7 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00194433

> <Analog_DSSTox_Structure_Id>
DTXCID10116924

> <Analog_Original_SMILES>
FC1C=C(Br)C=CC=1C1C=CC=CC=1

> <Analog_Canonical_QSARr>
FC1C=C(Br)C=CC=1C1C=CC=CC=1

> <Analog_CASRN>
41604-19-7

> <Analog_preferred_name>
4-Bromo-2-fluoro-1,1'-biphenyl

> <Analog - index>
18

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8409090909090909

$$$$
DTXSID00195804
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
    1.6500   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00195804

> <Analog_DSSTox_Structure_Id>
DTXCID00118295

> <Analog_Original_SMILES>
CCCCCCCC(C)(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCCC(C)(C)Cl

> <Analog_CASRN>
4325-50-2

> <Analog_preferred_name>
2-Chloro-2-methylnonane

> <Analog - index>
164|164|109|98

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID00196255
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    5.3672   -0.3908    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6527   -0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382   -0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382    0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382    2.0842    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7948    1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0803    2.0842    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7948    0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -0.3908    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -0.8896    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -2.0408    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9382   -2.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382   -2.8658    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6527   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672   -2.0408    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00196255

> <Analog_DSSTox_Structure_Id>
DTXCID10118746

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
446255-54-5

> <Analog_preferred_name>
2,2',3,4,4',5,6,6'-Octabromodiphenyl ether

> <Analog - index>
29|33|25|40

> <OFR_ID>
26|27|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|207122-15-4|60348-60-9

> <similarity>
0.8369565217391305|0.8064516129032258|0.8461538461538461|0.8105263157894737

$$$$
DTXSID00197929
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    4.0996   -0.6482    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3851   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0996    1.8268    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  3  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  2 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00197929

> <Analog_DSSTox_Structure_Id>
DTXCID10120420

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1)C1=CC=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1)C1=CC=CC=C1Br

> <Analog_CASRN>
49602-90-6

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3'-dibromo-

> <Analog - index>
41|44|5|32|25

> <OFR_ID>
32|33|37|40|43

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8773584905660378|0.8543689320388349|0.9278350515463918|0.8942307692307693|0.8921568627450981

$$$$
DTXSID0021543
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    0.0017   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7174   -0.0454    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0021543

> <Analog_DSSTox_Structure_Id>
DTXCID501543

> <Analog_Original_SMILES>
CCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCl

> <Analog_CASRN>
111-85-3

> <Analog_preferred_name>
1-Chlorooctane

> <Analog - index>
165|165|110|99

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID00219337
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00219337

> <Analog_DSSTox_Structure_Id>
DTXCID20141828

> <Analog_Original_SMILES>
BrC1C=CC(Br)=C(C2=CC(Br)=C(Br)C=C2Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(Br)=C(C2=CC(Br)=C(Br)C=C2Br)C=1Br

> <Analog_CASRN>
69278-59-7

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4',5',6-hexabromo-

> <Analog - index>
22|20|2|5|10|5|14

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8952380952380953|0.9047619047619048|0.9716981132075472|0.9142857142857143|0.8942307692307693|0.9528301886792453|0.9150943396226415

$$$$
DTXSID00220842
  Mrv1813 07271812452D          

 17 16  0  0  0  0            999 V2000
    1.6980   -2.9354    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -2.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355   -2.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480   -1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730   -1.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855   -0.7920    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980   -0.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8230   -0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2355    0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0605    0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4730    1.3514    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0145   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7289   -1.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4434   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1579   -1.2045    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8710   -0.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00220842

> <Analog_DSSTox_Structure_Id>
DTXCID30143333

> <Analog_Original_SMILES>
O=P(OCCCBr)(OCCCBr)OCCCBr

> <Analog_Canonical_QSARr>
O=P(OCCCBr)(OCCCBr)OCCCBr

> <Analog_CASRN>
70555-33-8

> <Analog_preferred_name>
1-Propanol, 3-bromo-, phosphate (3:1)

> <Analog - index>
1|1

> <OFR_ID>
66|136

> <OFR_DTXSID>
DTXSID0058691|DTXSID5021413

> <OFR_PREFERRED_NAME>
1-PROPANOL, 3-BROMO-2,2-BIS(BROMOMETHYL)-, 1,1',1''-PHOSPHATE|TRIS(2,3-DIBROMOPROPYL) PHOSPHATE

> <OFR_CASRN>
19186-97-1|126-72-7

> <similarity>
0.859375|0.863013698630137

$$$$
DTXSID00223676
  Mrv1813 07271812452D          

 11 13  0  0  0  0            999 V2000
    1.5800   -1.3394    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1769   -0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123   -0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479   -0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974    0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3618    1.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123    0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263    0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3618   -0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
 11  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8  3  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00223676

> <Analog_DSSTox_Structure_Id>
DTXCID30146167

> <Analog_Original_SMILES>
ClC1C2CC3CC(CC1C3)C2

> <Analog_Canonical_QSARr>
ClC1C2CC3CC(CC1C3)C2

> <Analog_CASRN>
7346-41-0

> <Analog_preferred_name>
2-Chlorotricyclo(3.3.1.13,7)decane

> <Analog - index>
87|87|26|12

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID00232041
  Mrv1813 07271812452D          

 19 20  0  0  0  0            999 V2000
    4.3574    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00232041

> <Analog_DSSTox_Structure_Id>
DTXCID00154532

> <Analog_Original_SMILES>
BrC1C=C(C2C=C(Br)C=C(Br)C=2Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C=C(Br)C=C(Br)C=2Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
82865-92-7

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',4,5,5'-heptabromo-

> <Analog - index>
1|52|49|52|2

> <OFR_ID>
23|25|32|40|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID50218113|-|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|67888-96-4|-|69278-62-2

> <similarity>
0.9111111111111111|0.8058252427184466|0.8490566037735849|0.8301886792452831|0.9

$$$$
DTXSID00237253
  Mrv1813 07271812452D          

 19 20  0  0  0  0            999 V2000
    4.3574   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00237253

> <Analog_DSSTox_Structure_Id>
DTXCID00159744

> <Analog_Original_SMILES>
BrC1C=C(C2C=C(Br)C(Br)=C(Br)C=2)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C=C(Br)C(Br)=C(Br)C=2)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
88700-06-5

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,3',4,4',5,5'-heptabromo-

> <Analog - index>
0|40|1|42|0

> <OFR_ID>
23|25|28|29|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID10208772|DTXSID70858838|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?

> <OFR_CASRN>
-|67733-52-2|60044-26-0|59080-40-9|69278-62-2

> <similarity>
0.9642857142857143|0.845360824742268|0.8433734939759037|0.8367346938775511|0.9523809523809523

$$$$
DTXSID00239272
  Mrv1813 07271812452D          

  8  8  0  0  0  0            999 V2000
    2.3645   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00239272

> <Analog_DSSTox_Structure_Id>
DTXCID20161763

> <Analog_Original_SMILES>
CC1CCC(Cl)CC1

> <Analog_Canonical_QSARr>
CC1CCC(Cl)CC1

> <Analog_CASRN>
931-68-0

> <Analog_preferred_name>
1-Chloro-4-methylcyclohexane

> <Analog - index>
248

> <OFR_ID>
95

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8378378378378378

$$$$
DTXSID0024135
  Mrv1813 07271812442D          

 12 12  0  0  0  0            999 V2000
    2.1478   -1.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -0.0022    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7189   -1.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044   -0.8272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7189   -2.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044   -2.4772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -2.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -3.3022    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1478   -2.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -2.4772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -0.8272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0024135

> <Analog_DSSTox_Structure_Id>
DTXCID504135

> <Analog_Original_SMILES>
Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>
6108-10-7

> <Analog_preferred_name>
epsilon-Hexachlorocyclohexane

> <Analog - index>
216|216

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID0024638
  Mrv1813 07271812442D          

 13 14  0  0  0  0            999 V2000
    3.3515   -1.7031    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6370   -2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225   -1.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225   -0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370   -0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    0.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -2.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225   -3.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370   -2.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0024638

> <Analog_DSSTox_Structure_Id>
DTXCID704638

> <Analog_Original_SMILES>
BrC1C=CC=CC=1C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC=CC=1C1C=CC=CC=1

> <Analog_CASRN>
2052-07-5

> <Analog_preferred_name>
2-Bromobiphenyl

> <Analog - index>
31|61|23

> <OFR_ID>
37|43|46

> <OFR_DTXSID>
DTXSID5074769|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?

> <OFR_CASRN>
60044-25-9|115245-07-3|92-66-0

> <similarity>
0.8421052631578947|0.81|0.8235294117647058

$$$$
DTXSID0025492
  Mrv1813 07271812442D          

 13 12  0  0  0  0            999 V2000
    0.0151   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7295   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1585   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5874   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3019   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0164   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4453   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1598   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5887   -0.0320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0025492

> <Analog_DSSTox_Structure_Id>
DTXCID805492

> <Analog_Original_SMILES>
CCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCl

> <Analog_CASRN>
112-52-7

> <Analog_preferred_name>
1-Chlorododecane

> <Analog - index>
88|88|27|13

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID00280183
  Mrv1813 07271812452D          

 12 11  0  0  0  0            999 V2000
    5.8181    1.2376    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8181    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1036    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2457    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5325    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9615    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00280183

> <Analog_DSSTox_Structure_Id>
DTXCID00231337

> <Analog_Original_SMILES>
CCCCC(Br)CCCCCC

> <Analog_Canonical_QSARr>
CCCCC(Br)CCCCCC

> <Analog_CASRN>
5447-45-0

> <Analog_preferred_name>
5-bromoundecane

> <Analog - index>
127|147|147|132|183|181

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID00284363
  Mrv1813 07271812452D          

 10 10  0  0  0  0            999 V2000
    4.2220    0.5404    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5076    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641    0.5404    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0786   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2220   -1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00284363

> <Analog_DSSTox_Structure_Id>
DTXCID20235514

> <Analog_Original_SMILES>
OC1C=CC(Br)=C(O)C=1Br

> <Analog_Canonical_QSARr>
OC1C=CC(Br)=C(O)C=1Br

> <Analog_CASRN>
18011-67-1

> <Analog_preferred_name>
2,4-Dibromobenzene-1,3-diol

> <Analog - index>
4

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8548387096774194

$$$$
DTXSID00288588
  Mrv1813 07271812452D          

 25 24  0  0  0  0            999 V2000
    1.6483    0.1897    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3628   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5062    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9351    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6496   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3641    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7930    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5075   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2219    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9364   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6509    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3654   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0798    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7943   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5088    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2232   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9377    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6522   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3667    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0811   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7956    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00288588

> <Analog_DSSTox_Structure_Id>
DTXCID80239735

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
6946-24-3

> <Analog_preferred_name>
1-Bromotetracosane

> <Analog - index>
17|37|37|22|74|72

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00289217
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    3.3001    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00289217

> <Analog_DSSTox_Structure_Id>
DTXCID00240363

> <Analog_Original_SMILES>
BrC(Br)C(Br)(Br)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC(Br)C(Br)(Br)C1C=CC=CC=1

> <Analog_CASRN>
31253-21-1

> <Analog_preferred_name>
(1,1,2,2-tetrabromoethyl)benzene

> <Analog - index>
4

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8795180722891566

$$$$
DTXSID00294260
  Mrv1813 07271812452D          

 11 13  0  0  0  0            999 V2000
    2.1320    0.3771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609    0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2754   -0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2754   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609   -1.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600   -1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5449   -0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600    0.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00294260

> <Analog_DSSTox_Structure_Id>
DTXCID60245399

> <Analog_Original_SMILES>
ClC1CC2CC1C1CCCC21

> <Analog_Canonical_QSARr>
ClC1CC2CC1C1CCCC21

> <Analog_CASRN>
77171-22-3

> <Analog_preferred_name>
5-chlorooctahydro-1h-4,7-methanoindene

> <Analog - index>
89|89|28|14

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID0029557
  Mrv1813 07271812442D          

 17 16  0  0  0  0            999 V2000
    2.1336   -2.6046    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -2.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1336   -1.7796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481   -1.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770   -1.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -2.6046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1336   -3.4296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481   -3.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481   -4.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -5.0796    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -3.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -2.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961   -1.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1336   -1.1757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0711   -1.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0029557

> <Analog_DSSTox_Structure_Id>
DTXCID209557

> <Analog_Original_SMILES>
CC(Cl)COP(=O)(OC(C)CCl)OC(C)CCl

> <Analog_Canonical_QSARr>
CC(Cl)COP(=O)(OC(C)CCl)OC(C)CCl

> <Analog_CASRN>
76025-08-6

> <Analog_preferred_name>
Bis(2-chloro-1-methylethyl) 2-chloropropyl phosphate

> <Analog - index>
3|1|19

> <OFR_ID>
138|140|141

> <OFR_DTXSID>
DTXSID7023805|DTXSID3027615|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE|?|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
78-43-3|6145-73-9|13674-84-5

> <similarity>
0.8904109589041096|0.9696969696969697|0.8

$$$$
DTXSID00296204
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    0.7765    0.8003    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4910    0.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2055    0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117   -0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2055   -0.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199   -0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199    0.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910   -0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -0.8497    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00296204

> <Analog_DSSTox_Structure_Id>
DTXCID50247342

> <Analog_Original_SMILES>
BrC1C2CC(CC2)C1Br

> <Analog_Canonical_QSARr>
BrC1C2CC(CC2)C1Br

> <Analog_CASRN>
2843-50-7

> <Analog_preferred_name>
2,3-dibromobicyclo[2.2.1]heptane

> <Analog - index>
229|148|148|237|40|43|37

> <OFR_ID>
2|4|19|20|113|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID4052687|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|?|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|1837-91-8|3322-93-8|3194-57-8

> <similarity>
0.825|0.875|0.875|0.8048780487804879|0.8378378378378378|0.875|0.8974358974358975

$$$$
DTXSID00302632
  Mrv1813 07271812452D          

 10 11  0  0  0  0            999 V2000
    0.5340    0.7152    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774    0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255   -0.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -0.9348    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00302632

> <Analog_DSSTox_Structure_Id>
DTXCID50253766

> <Analog_Original_SMILES>
BrC1C2CCC(CC2)C1Br

> <Analog_Canonical_QSARr>
BrC1C2CCC(CC2)C1Br

> <Analog_CASRN>
90085-73-7

> <Analog_preferred_name>
2,3-dibromobicyclo[2.2.2]octane

> <Analog - index>
120|10|10|187|8|2

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9230769230769231|0.925|0.925|0.8536585365853658|0.925|0.9487179487179487

$$$$
DTXSID00302637
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    4.8055    0.9281    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0911    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766    1.7531    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2332   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3602   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0911   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00302637

> <Analog_DSSTox_Structure_Id>
DTXCID00253771

> <Analog_Original_SMILES>
CC(C)(C)C1CCC(Br)C(Cl)C1

> <Analog_Canonical_QSARr>
CC(C)(C)C1CCC(Br)C(Cl)C1

> <Analog_CASRN>
90976-05-9

> <Analog_preferred_name>
1-bromo-4-tert-butyl-2-chlorocyclohexane

> <Analog - index>
13

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8163265306122449

$$$$
DTXSID00302930
  Mrv1813 07271812452D          

 14 16  0  0  0  0            999 V2000
    5.3839    0.6320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839   -0.6320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1391    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1391   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7572    0.4732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7572   -0.4732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00302930

> <Analog_DSSTox_Structure_Id>
DTXCID80254064

> <Analog_Original_SMILES>
ClC1(Cl)C2CCC3C(CCC12)C3(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2CCC3C(CCC12)C3(Cl)Cl

> <Analog_CASRN>
62990-21-0

> <Analog_preferred_name>
5,5,10,10-Tetrachlorotricyclo[7.1.0.0(4,6)]decane

> <Analog - index>
63|63|155|142

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.8974358974358975|0.8974358974358975

$$$$
DTXSID00315065
  Mrv1813 07271812452D          

 15 14  0  0  0  0            999 V2000
    6.6513   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00315065

> <Analog_DSSTox_Structure_Id>
DTXCID40266188

> <Analog_Original_SMILES>
COC(=O)C(Br)CCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
COC(=O)C(Br)CCCC(Br)C(=O)OC

> <Analog_CASRN>
868-73-5

> <Analog_preferred_name>
Dimethyl 2,6-dibromoheptanedioate

> <Analog - index>
6

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.875

$$$$
DTXSID00326151
  Mrv1813 07271812452D          

 19 18  0  0  0  0            999 V2000
    6.9146    1.4872    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    0.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    0.2497    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712   -0.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857   -0.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857   -1.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712   -2.2253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2001   -2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001   -3.0503    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    0.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278    1.4872    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    2.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278    3.1372    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    2.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    3.1372    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00326151

> <Analog_DSSTox_Structure_Id>
DTXCID50277265

> <Analog_Original_SMILES>
ClC(COP(OCC(Cl)CCl)OCC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(COP(OCC(Cl)CCl)OCC(Cl)CCl)CCl

> <Analog_CASRN>
6145-79-5

> <Analog_preferred_name>
tris(2,3-dichloropropyl) phosphite

> <Analog - index>
4|12

> <OFR_ID>
138|140

> <OFR_DTXSID>
DTXSID7023805|DTXSID3027615

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE|?

> <OFR_CASRN>
78-43-3|6145-73-9

> <similarity>
0.8904109589041096|0.8055555555555556

$$$$
DTXSID00336215
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    5.2221   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00336215

> <Analog_DSSTox_Structure_Id>
DTXCID50287304

> <Analog_Original_SMILES>
CCCCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
CCCCCC(Br)C(=O)OC

> <Analog_CASRN>
26040-74-4

> <Analog_preferred_name>
Heptanoic acid, 2-bromo, methyl ester

> <Analog - index>
2

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.9090909090909091

$$$$
DTXSID00337580
  Mrv1813 07271812452D          

  8  7  0  0  0  0            999 V2000
    1.6498    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9367    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00337580

> <Analog_DSSTox_Structure_Id>
DTXCID40288668

> <Analog_Original_SMILES>
CC(Br)CCCCBr

> <Analog_Canonical_QSARr>
CC(Br)CCCCBr

> <Analog_CASRN>
627-96-3

> <Analog_preferred_name>
1,5-Dibromohexane

> <Analog - index>
9

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8787878787878788

$$$$
DTXSID00339145
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    1.3252    0.0188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1831    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6120    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    0.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265    1.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00339145

> <Analog_DSSTox_Structure_Id>
DTXCID00290227

> <Analog_Original_SMILES>
COC(=O)CCCCCCBr

> <Analog_Canonical_QSARr>
COC(=O)CCCCCCBr

> <Analog_CASRN>
54049-24-0

> <Analog_preferred_name>
Methyl 7-bromoheptanoate

> <Analog - index>
12

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8354430379746836

$$$$
DTXSID00340498
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    4.3491    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    1.4437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00340498

> <Analog_DSSTox_Structure_Id>
DTXCID20291579

> <Analog_Original_SMILES>
BrC1CCCCC1CBr

> <Analog_Canonical_QSARr>
BrC1CCCCC1CBr

> <Analog_CASRN>
52428-01-0

> <Analog_preferred_name>
Cyclohexane, 1-bromo-2-(bromomethyl)-

> <Analog - index>
194|177|202

> <OFR_ID>
2|20|128

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513|DTXSID8024947

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE

> <OFR_CASRN>
25495-98-1|1093632-34-8|3322-93-8

> <similarity>
0.8461538461538461|0.8717948717948718|0.8048780487804879

$$$$
DTXSID00345488
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    4.6333    0.5958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9189    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4899    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4899   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9189   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00345488

> <Analog_DSSTox_Structure_Id>
DTXCID40296561

> <Analog_Original_SMILES>
OC1C=CC=C(O)C=1Br

> <Analog_Canonical_QSARr>
OC1C=CC=C(O)C=1Br

> <Analog_CASRN>
6751-75-3

> <Analog_preferred_name>
2-Bromoresorcinol

> <Analog - index>
12

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8225806451612904

$$$$
DTXSID00378812
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    4.5078    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.6971    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.7779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  2 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00378812

> <Analog_DSSTox_Structure_Id>
DTXCID50329839

> <Analog_Original_SMILES>
OC1=C(F)C=C(Br)C=C1Br

> <Analog_Canonical_QSARr>
OC1=C(F)C=C(Br)C=C1Br

> <Analog_CASRN>
576-86-3

> <Analog_preferred_name>
2,4-dibromo-6-fluorophenol

> <Analog - index>
7

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8412698412698413

$$$$
DTXSID00381644
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    2.5244   -0.7748    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6676    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    0.3198    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4926    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2071   -0.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6360   -0.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3505    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0650   -0.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7794    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  4  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00381644

> <Analog_DSSTox_Structure_Id>
DTXCID30332669

> <Analog_Original_SMILES>
CCCCCCCCC1CC1(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCCCC1CC1(Br)Br

> <Analog_CASRN>
62845-99-2

> <Analog_preferred_name>
1,1-dibromo-2-octylcyclopropane

> <Analog - index>
18|38|38|23|75|73

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00394214
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    1.7929   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00394214

> <Analog_DSSTox_Structure_Id>
DTXCID50345074

> <Analog_Original_SMILES>
BrCC1CCC(CC1)CBr

> <Analog_Canonical_QSARr>
BrCC1CCC(CC1)CBr

> <Analog_CASRN>
35541-75-4

> <Analog_preferred_name>
1,4-bis(bromomethyl)cyclohexane

> <Analog - index>
230|195|195|239|193|191

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.825|0.825|0.8|0.825|0.8461538461538461

$$$$
DTXSID00407555
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    5.9369   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00407555

> <Analog_DSSTox_Structure_Id>
DTXCID50358407

> <Analog_Original_SMILES>
CP(=O)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
CP(=O)(OCCCl)OCCCl

> <Analog_CASRN>
2799-58-8

> <Analog_preferred_name>
Bis(2-chloroethyl) methylphosphonate

> <Analog - index>
3

> <OFR_ID>
105

> <OFR_DTXSID>
DTXSID9051589

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
115-98-0

> <similarity>
0.8

$$$$
DTXSID00409079
  Mrv1813 07271812462D          

 20 21  0  0  0  0            999 V2000
    6.0083   -1.9346    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2938   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    0.5404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938    0.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649    1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    3.0154    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215    0.5404    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -1.9346    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5794   -1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794   -2.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  7 15  1  0  0  0  0
 16  4  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00409079

> <Analog_DSSTox_Structure_Id>
DTXCID70359931

> <Analog_Original_SMILES>
OC1C(Br)=CC(=CC=1Br)S(=O)C1=CC(Br)=C(O)C(Br)=C1

> <Analog_Canonical_QSARr>
OC1C(Br)=CC(=CC=1Br)S(=O)C1=CC(Br)=C(O)C(Br)=C1

> <Analog_CASRN>
55511-29-0

> <Analog_preferred_name>
STK365697

> <Analog - index>
0

> <OFR_ID>
42

> <OFR_DTXSID>
DTXSID0052708

> <OFR_PREFERRED_NAME>
TETRABROMOBISPHENOL S

> <OFR_CASRN>
39635-79-5

> <similarity>
0.9902912621359223

$$$$
DTXSID00443135
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    3.4956   -0.3327    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2101    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6226   -0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101   -1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6226   -2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101   -2.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245    0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976    0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101    1.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976    2.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9726    0.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00443135

> <Analog_DSSTox_Structure_Id>
DTXCID70393956

> <Analog_Original_SMILES>
CCCCC(Br)(CC)C(=O)OC

> <Analog_Canonical_QSARr>
CCCCC(Br)(CC)C(=O)OC

> <Analog_CASRN>
202586-61-6

> <Analog_preferred_name>
Hexanoic acid, 2-bromo-2-ethyl-, methyl ester

> <Analog - index>
1

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.9315068493150684

$$$$
DTXSID00447855
  Mrv1813 07271812462D          

 14 15  0  0  0  0            999 V2000
    2.3645   -2.8875    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  6 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00447855

> <Analog_DSSTox_Structure_Id>
DTXCID00398676

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C=CC(I)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C=CC(I)=CC=1

> <Analog_CASRN>
105946-82-5

> <Analog_preferred_name>
4-Bromo-4'-iodobiphenyl

> <Analog - index>
7

> <OFR_ID>
45

> <OFR_DTXSID>
DTXSID1059072

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-86-4

> <similarity>
0.8414634146341463

$$$$
DTXSID00451896
  Mrv1813 07271812462D          

 19 21  0  0  0  0            999 V2000
    2.3644   -4.1033    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -3.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    2.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 10 15  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
  6 17  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  2  0  0  0  0
  2 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00451896

> <Analog_DSSTox_Structure_Id>
DTXCID30402715

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1

> <Analog_CASRN>
1762-84-1

> <Analog_preferred_name>
4-Bromo-p-terphenyl

> <Analog - index>
2|0

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8518518518518519|0.9135802469135802

$$$$
DTXSID00456669
  Mrv1813 07271812462D          

  8  9  0  0  0  0            999 V2000
    1.7369   -0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2672    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9817   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9817    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7663    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2512    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7663   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00456669

> <Analog_DSSTox_Structure_Id>
DTXCID90407488

> <Analog_Original_SMILES>
BrC1(Br)C2CCCC12

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCCC12

> <Analog_CASRN>
2568-36-7

> <Analog_preferred_name>
6,6-dibromobicyclo[3.1.0]hexane

> <Analog - index>
19

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID00458845
  Mrv1813 07271812462D          

 17 19  0  0  0  0            999 V2000
    2.3736   -2.4893    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -1.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881   -0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    1.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    2.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170    2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170    1.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    2.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    1.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
  6 15  2  0  0  0  0
 16  5  1  0  0  0  0
 17 16  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00458845

> <Analog_DSSTox_Structure_Id>
DTXCID90409664

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1=CC=CC2=CC=CC=C21

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1=CC=CC2=CC=CC=C21

> <Analog_CASRN>
204530-94-9

> <Analog_preferred_name>
1-(4-bromophenyl)naphthalene

> <Analog - index>
3|1

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8518518518518519|0.9135802469135802

$$$$
DTXSID00463838
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    2.1696   -2.3063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -1.0688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8841   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    1.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00463838

> <Analog_DSSTox_Structure_Id>
DTXCID90414657

> <Analog_Original_SMILES>
CC1C=CC(C=C(Br)Br)=CC=1

> <Analog_Canonical_QSARr>
CC1C=CC(C=C(Br)Br)=CC=1

> <Analog_CASRN>
60512-56-3

> <Analog_preferred_name>
Benzene, 1-(2,2-dibromoethenyl)-4-methyl-

> <Analog - index>
5

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8472222222222222

$$$$
DTXSID00473194
  Mrv1813 07271812462D          

  8  7  0  0  0  0            999 V2000
    1.6498    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9367    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00473194

> <Analog_DSSTox_Structure_Id>
DTXCID80424008

> <Analog_Original_SMILES>
CCCCCC(Br)Br

> <Analog_Canonical_QSARr>
CCCCCC(Br)Br

> <Analog_CASRN>
58133-26-9

> <Analog_preferred_name>
1,1-dibromohexane

> <Analog - index>
20

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID00477016
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    5.6511   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  5 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00477016

> <Analog_DSSTox_Structure_Id>
DTXCID70427826

> <Analog_Original_SMILES>
BrC1C=CC=C(Br)C=1OC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC=C(Br)C=1OC1C=CC=CC=1

> <Analog_CASRN>
51930-04-2

> <Analog_preferred_name>
Benzene, 1,3-dibromo-2-phenoxy-

> <Analog - index>
4|6|5

> <OFR_ID>
35|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|5436-43-1|41318-75-6

> <similarity>
0.8735632183908046|0.8636363636363636|0.8735632183908046

$$$$
DTXSID0049280
  Mrv1813 07271812442D          

 18 17  0  0  0  0            999 V2000
    0.6718    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8152   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2441   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9586    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6731   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1020   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8165    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2454    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9599   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6744    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3888   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0427   -0.4051    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0049280

> <Analog_DSSTox_Structure_Id>
DTXCID5029136

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
3508-00-7

> <Analog_preferred_name>
Heptadecane,1-bromo-

> <Analog - index>
19|39|39|24|76|74

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00494940
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    4.1231   -0.8916    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3262   -1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7429   -0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7429    0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    1.4419    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5762    0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    1.4419    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5762   -0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3262    0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -0.1519    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00494940

> <Analog_DSSTox_Structure_Id>
DTXCID00445750

> <Analog_Original_SMILES>
BrCC1(CCC1(CBr)CBr)CBr

> <Analog_Canonical_QSARr>
BrCC1(CCC1(CBr)CBr)CBr

> <Analog_CASRN>
14276-28-9

> <Analog_preferred_name>
1,1,2,2-Tetrakis(bromomethyl)cyclobutane

> <Analog - index>
4

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9090909090909091

$$$$
DTXSID00505727
  Mrv1813 07271812462D          

 16 16  0  0  0  0            999 V2000
    4.2618    1.7782    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4866    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433    0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1058   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -0.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1058   -1.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308   -1.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433   -2.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1683   -2.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808   -1.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1683   -0.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1683    0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.7782    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00505727

> <Analog_DSSTox_Structure_Id>
DTXCID30456536

> <Analog_Original_SMILES>
BrCC1(CCCCCCCCCCC1)CBr

> <Analog_Canonical_QSARr>
BrCC1(CCCCCCCCCCC1)CBr

> <Analog_CASRN>
61876-44-6

> <Analog_preferred_name>
1,1-Bis(bromomethyl)cyclododecane

> <Analog - index>
20|183|183|25|201|195

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.8536585365853658|0.8536585365853658|0.9230769230769231|0.8095238095238095|0.8292682926829268

$$$$
DTXSID00507049
  Mrv1813 07271812462D          

 15 15  0  0  0  0            999 V2000
    4.8889    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1745   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0311    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0311    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7455   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0311   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1745   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00507049

> <Analog_DSSTox_Structure_Id>
DTXCID40457857

> <Analog_Original_SMILES>
CCOCC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
CCOCC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
79415-46-6

> <Analog_preferred_name>
1,2,3,4,5-Pentabromo-6-(ethoxymethyl)benzene

> <Analog - index>
0

> <OFR_ID>
56

> <OFR_DTXSID>
DTXSID30573656

> <OFR_PREFERRED_NAME>
Benzene, 1,1'-[oxybis(methylene)]bis[2,3,4,5,6-pentabromo- (9CI)

> <OFR_CASRN>
497107-13-8

> <similarity>
0.8217821782178217

$$$$
DTXSID00510578
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    3.7934   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00510578

> <Analog_DSSTox_Structure_Id>
DTXCID10461385

> <Analog_Original_SMILES>
ClCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
59261-00-6

> <Analog_preferred_name>
1,1,1,3,7-Pentachloroheptane

> <Analog - index>
238|238|208

> <OFR_ID>
3|21|67

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579

$$$$
DTXSID00513761
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    4.9505    0.5887    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1255    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9505   -0.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005   -2.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9985   -1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255    2.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    2.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880    1.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00513761

> <Analog_DSSTox_Structure_Id>
DTXCID60464568

> <Analog_Original_SMILES>
COC(=O)C(Br)CC(=O)C(C)(C)C

> <Analog_Canonical_QSARr>
COC(=O)C(Br)CC(=O)C(C)(C)C

> <Analog_CASRN>
82884-42-2

> <Analog_preferred_name>
Methyl 2-bromo-5,5-dimethyl-4-oxohexanoate

> <Analog - index>
8

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8533333333333334

$$$$
DTXSID00515487
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    1.5473   -0.4847    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0776    0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    0.7792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7921   -0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3273   -0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    0.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5994    0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414   -0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371   -0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00515487

> <Analog_DSSTox_Structure_Id>
DTXCID10466294

> <Analog_Original_SMILES>
CC12CCCCCC1C2(Br)Br

> <Analog_Canonical_QSARr>
CC12CCCCCC1C2(Br)Br

> <Analog_CASRN>
51146-08-8

> <Analog_preferred_name>
8,8-Dibromo-1-methylbicyclo[5.1.0]octane

> <Analog - index>
21|40|40|26|77|75

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00518534
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    1.7800    0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3194   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3194   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905    1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00518534

> <Analog_DSSTox_Structure_Id>
DTXCID50469340

> <Analog_Original_SMILES>
CC(Br)(CBr)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
CC(Br)(CBr)C1C=CC=CC=1

> <Analog_CASRN>
36043-44-4

> <Analog_preferred_name>
(1,2-Dibromopropan-2-yl)benzene

> <Analog - index>
7

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8690476190476191

$$$$
DTXSID00542596
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    3.0789    1.8562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00542596

> <Analog_DSSTox_Structure_Id>
DTXCID50493382

> <Analog_Original_SMILES>
ClCCC1CCCCC1

> <Analog_Canonical_QSARr>
ClCCC1CCCCC1

> <Analog_CASRN>
1073-61-6

> <Analog_preferred_name>
(2-Chloroethyl)cyclohexane

> <Analog - index>
166|166|111|100

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID00543720
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    1.9448    1.7273    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054    1.7273    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00543720

> <Analog_DSSTox_Structure_Id>
DTXCID40494505

> <Analog_Original_SMILES>
CC(C)(C)C1CCC(Br)(Br)CC1

> <Analog_Canonical_QSARr>
CC(C)(C)C1CCC(Br)(Br)CC1

> <Analog_CASRN>
105669-73-6

> <Analog_preferred_name>
1,1-Dibromo-4-tert-butylcyclohexane

> <Analog - index>
196|204|204|205|206|201

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID00547263
  Mrv1813 07271812462D          

 20 19  0  0  0  0            999 V2000
   11.6519   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.6519   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9374    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5084    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0795    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3650   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6506    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9361   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5071   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7927    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3663    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0808   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3663    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00547263

> <Analog_DSSTox_Structure_Id>
DTXCID80498047

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCC(Br)C(=O)OC

> <Analog_CASRN>
16725-35-2

> <Analog_preferred_name>
Methyl 2-bromohexadecanoate

> <Analog - index>
14

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8235294117647058

$$$$
DTXSID00550651
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
  4 10  2  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00550651

> <Analog_DSSTox_Structure_Id>
DTXCID90501435

> <Analog_Original_SMILES>
BrC1C=CC=C(Br)C=1C1=CC=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1C=CC=C(Br)C=1C1=CC=CC=C1Br

> <Analog_CASRN>
507241-82-9

> <Analog_preferred_name>
2,2',6-Tribromo-1,1'-biphenyl

> <Analog - index>
56|13|60

> <OFR_ID>
33|37|43

> <OFR_DTXSID>
DTXSID9074771|DTXSID5074769|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|?|?

> <OFR_CASRN>
59080-39-6|60044-25-9|115245-07-3

> <similarity>
0.8282828282828283|0.8829787234042553|0.8118811881188119

$$$$
DTXSID00552736
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    6.6514   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6527    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00552736

> <Analog_DSSTox_Structure_Id>
DTXCID30503519

> <Analog_Original_SMILES>
CCCCCCCC(Br)CCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCC(Br)CCCCCCC

> <Analog_CASRN>
114813-40-0

> <Analog_preferred_name>
8-Bromopentadecane

> <Analog - index>
22|41|41|27|78|76

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00554573
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    6.3266    1.2563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6121    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    0.4313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00554573

> <Analog_DSSTox_Structure_Id>
DTXCID30505356

> <Analog_Original_SMILES>
CCCCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCCCC(Cl)CCl

> <Analog_CASRN>
56375-96-3

> <Analog_preferred_name>
1,2-Dichlorononane

> <Analog - index>
47|47|83|72

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID00559265
  Mrv1813 07271812462D          

 21 20  0  0  0  0            999 V2000
    1.6501    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6527    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0816    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  1  0  0  0  0
  4 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00559265

> <Analog_DSSTox_Structure_Id>
DTXCID70510045

> <Analog_Original_SMILES>
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CCBr

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCCC(C)CCCC(C)CCBr

> <Analog_CASRN>
199484-75-8

> <Analog_preferred_name>
(7R,11R)-1-Bromo-3,7,11,15-tetramethylhexadecane

> <Analog - index>
23|42|42|28|79|77

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00559947
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6497    0.0476    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    1.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00559947

> <Analog_DSSTox_Structure_Id>
DTXCID10510726

> <Analog_Original_SMILES>
CCCCCCCC[C@@H](C)CCBr

> <Analog_Canonical_QSARr>
CCCCCCCCC(C)CCBr

> <Analog_CASRN>
84567-95-3

> <Analog_preferred_name>
(3R)-1-Bromo-3-methylundecane

> <Analog - index>
24|43|43|29|80|78

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00562118
  Mrv1813 07271812462D          

  7  6  0  0  0  0            999 V2000
    4.3912   -0.3767    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9787    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1537    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9162    1.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412   -0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9162   -0.3767    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00562118

> <Analog_DSSTox_Structure_Id>
DTXCID40512894

> <Analog_Original_SMILES>
OCC(CBr)CBr

> <Analog_Canonical_QSARr>
OCC(CBr)CBr

> <Analog_CASRN>
106023-63-6

> <Analog_preferred_name>
3-Bromo-2-(bromomethyl)propan-1-ol

> <Analog - index>
6|2

> <OFR_ID>
101|102

> <OFR_DTXSID>
DTXSID9020164|DTXSID9024641

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL|3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
3296-90-0|1522-92-5

> <similarity>
0.8|0.8888888888888888

$$$$
DTXSID00574291
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    3.8569    1.0502    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    1.6076    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -1.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00574291

> <Analog_DSSTox_Structure_Id>
DTXCID20525063

> <Analog_Original_SMILES>
Cl[C@@H]1CCCCCC[C@H]1Cl

> <Analog_Canonical_QSARr>
ClC1CCCCCCC1Cl

> <Analog_CASRN>
22828-42-8

> <Analog_preferred_name>
(1R,2R)-1,2-Dichlorocyclooctane

> <Analog - index>
90|90|166|164

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8947368421052632|0.8947368421052632

$$$$
DTXSID00574711
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    3.1439    1.9687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1439    1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294   -1.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439   -1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439   -0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150    1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0005    0.7312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00574711

> <Analog_DSSTox_Structure_Id>
DTXCID80525483

> <Analog_Original_SMILES>
BrCC(CBr)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrCC(CBr)C1C=CC=CC=1

> <Analog_CASRN>
85291-68-5

> <Analog_preferred_name>
(1,3-Dibromopropan-2-yl)benzene

> <Analog - index>
6

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8705882352941177

$$$$
DTXSID00574837
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    5.2873   -0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5729   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584    1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4295   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00574837

> <Analog_DSSTox_Structure_Id>
DTXCID20525609

> <Analog_Original_SMILES>
BrC[C@@H]1CCCC[C@H]1CCBr

> <Analog_Canonical_QSARr>
BrCC1CCCCC1CCBr

> <Analog_CASRN>
87716-93-6

> <Analog_preferred_name>
(1S,2R)-1-(2-Bromoethyl)-2-(bromomethyl)cyclohexane

> <Analog - index>
121|11|11|6|31|25

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9230769230769231|0.925|0.925|0.9487179487179487|0.8780487804878049|0.9

$$$$
DTXSID00577222
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    4.1902   -1.1639    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4757   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4757    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00577222

> <Analog_DSSTox_Structure_Id>
DTXCID90527993

> <Analog_Original_SMILES>
CC1(C)CC(Cl)CCC1

> <Analog_Canonical_QSARr>
CC1(C)CC(Cl)CCC1

> <Analog_CASRN>
35188-27-3

> <Analog_preferred_name>
3-Chloro-1,1-dimethylcyclohexane

> <Analog - index>
249

> <OFR_ID>
95

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8378378378378378

$$$$
DTXSID00580099
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    4.9475    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2330   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8041    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8041    2.2688    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    1.0313    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8041   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8041   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185   -2.2687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2330   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00580099

> <Analog_DSSTox_Structure_Id>
DTXCID70530864

> <Analog_Original_SMILES>
FC(F)OC1C(Br)=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
FC(F)OC1C(Br)=CC(Br)=CC=1Br

> <Analog_CASRN>
920981-13-1

> <Analog_preferred_name>
1,3,5-Tribromo-2-(difluoromethoxy)benzene

> <Analog - index>
2

> <OFR_ID>
125

> <OFR_DTXSID>
DTXSID1060558

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
607-99-8

> <similarity>
0.8450704225352113

$$$$
DTXSID00597288
  Mrv1813 07271812462D          

 16 16  0  0  0  0            999 V2000
    4.1259    1.8553    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8559    1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5056    1.5435    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    0.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461   -0.6817    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955   -0.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356   -1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -2.1984    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0457   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858   -1.8865    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3158   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2061    0.6080    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00597288

> <Analog_DSSTox_Structure_Id>
DTXCID50548048

> <Analog_Original_SMILES>
BrC1CCC(Br)C(Br)CCC(Br)C(Br)C1Br

> <Analog_Canonical_QSARr>
BrC1CCC(Br)C(Br)CCC(Br)C(Br)C1Br

> <Analog_CASRN>
10364-34-8

> <Analog_preferred_name>
1,2,3,4,7,8-Hexabromocyclodecane

> <Analog - index>
160|1|1|14|2|6

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9047619047619048|0.9523809523809523|0.9523809523809523|0.9285714285714286|0.9523809523809523|0.9285714285714286

$$$$
DTXSID0060561
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    1.1114    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969    2.2458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259   -0.2292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8259    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0060561

> <Analog_DSSTox_Structure_Id>
DTXCID9042883

> <Analog_Original_SMILES>
OC1C(Br)=CC=CC=1Br

> <Analog_Canonical_QSARr>
OC1C(Br)=CC=CC=1Br

> <Analog_CASRN>
608-33-3

> <Analog_preferred_name>
Phenol, 2,6-dibromo-

> <Analog - index>
1|6

> <OFR_ID>
109|110

> <OFR_DTXSID>
DTXSID6021959|DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4,6-TRIBROMOPHENOL|2,4-DIBROMOPHENOL

> <OFR_CASRN>
118-79-6|615-58-7

> <similarity>
0.8490566037735849|0.8448275862068966

$$$$
DTXSID00606001
  Mrv1813 07271812462D          

 18 17  0  0  0  0            999 V2000
    2.4864   -0.6363    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8989    0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239    0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364   -0.6363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9614   -0.6363    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.7864   -0.6363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1989   -1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0239   -1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4364   -0.6363    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.4364   -2.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2614   -2.0653    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9614    0.1887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6758    0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3903    0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1048    0.6012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9614   -1.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864    0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614    0.7926    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00606001

> <Analog_DSSTox_Structure_Id>
DTXCID40556758

> <Analog_Original_SMILES>
O=P(OCCCl)(OCC(Br)CBr)OCC(Br)CBr

> <Analog_Canonical_QSARr>
O=P(OCCCl)(OCC(Br)CBr)OCC(Br)CBr

> <Analog_CASRN>
67190-46-9

> <Analog_preferred_name>
2-Chloroethyl bis(2,3-dibromopropyl) phosphate

> <Analog - index>
3

> <OFR_ID>
136

> <OFR_DTXSID>
DTXSID5021413

> <OFR_PREFERRED_NAME>
TRIS(2,3-DIBROMOPROPYL) PHOSPHATE

> <OFR_CASRN>
126-72-7

> <similarity>
0.8390804597701149

$$$$
DTXSID00606465
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    4.3491   -1.4438    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00606465

> <Analog_DSSTox_Structure_Id>
DTXCID60557222

> <Analog_Original_SMILES>
CCC1CCCC(Br)C1

> <Analog_Canonical_QSARr>
CCC1CCCC(Br)C1

> <Analog_CASRN>
62517-99-1

> <Analog_preferred_name>
1-Bromo-3-ethylcyclohexane

> <Analog - index>
173|185|185|178|172|170

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.8717948717948718|0.85|0.8717948717948718

$$$$
DTXSID00607290
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    6.3219    1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3219    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4653    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00607290

> <Analog_DSSTox_Structure_Id>
DTXCID10558047

> <Analog_Original_SMILES>
CCCCC(CBr)CCCCCC

> <Analog_Canonical_QSARr>
CCCCC(CBr)CCCCCC

> <Analog_CASRN>
85531-02-8

> <Analog_preferred_name>
5-(Bromomethyl)undecane

> <Analog - index>
25|44|44|30|81|79

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID0061167
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9992    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    2.5559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0061167

> <Analog_DSSTox_Structure_Id>
DTXCID5048267

> <Analog_Original_SMILES>
ClCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCl

> <Analog_CASRN>
821-76-1

> <Analog_preferred_name>
Heptane, 1,7-dichloro-

> <Analog - index>
217|217|184|181

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID00616867
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    1.6500   -0.0229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.3896    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00616867

> <Analog_DSSTox_Structure_Id>
DTXCID80567621

> <Analog_Original_SMILES>
CC(Cl)CCCCCCl

> <Analog_Canonical_QSARr>
CC(Cl)CCCCCCl

> <Analog_CASRN>
56375-91-8

> <Analog_preferred_name>
1,6-Dichloroheptane

> <Analog - index>
218|218|244|240

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8421052631578947|0.8421052631578947

$$$$
DTXSID00624508
  Mrv1813 07271812472D          

  9  9  0  0  0  0            999 V2000
    4.1902    0.4861    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4757    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4757   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00624508

> <Analog_DSSTox_Structure_Id>
DTXCID80575261

> <Analog_Original_SMILES>
CC1(C)CCCCC1Cl

> <Analog_Canonical_QSARr>
CC1(C)CCCCC1Cl

> <Analog_CASRN>
55695-99-3

> <Analog_preferred_name>
2-Chloro-1,1-dimethylcyclohexane

> <Analog - index>
220|218

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID00625050
  Mrv1813 07271812472D          

 20 19  0  0  0  0            999 V2000
    6.0379   -3.4900    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0379   -2.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234   -2.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234   -1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090   -1.0150    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8945   -0.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8945    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    0.2225    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    1.8725    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0215   -0.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8465   -0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2590    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8465    1.1284    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0840    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4965    1.1284    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1965   -1.7294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524   -2.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4668   -2.6650    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00625050

> <Analog_DSSTox_Structure_Id>
DTXCID40575803

> <Analog_Original_SMILES>
O=P(OCC(Cl)CCl)(OCC(Br)CBr)OCC(Br)CBr

> <Analog_Canonical_QSARr>
O=P(OCC(Cl)CCl)(OCC(Br)CBr)OCC(Br)CBr

> <Analog_CASRN>
22945-76-2

> <Analog_preferred_name>
Bis(2,3-dibromopropyl) 2,3-dichloropropyl phosphate

> <Analog - index>
0

> <OFR_ID>
10

> <OFR_DTXSID>
DTXSID9070406

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-3-CHLOROPROPYL BIS(2-CHLORO-1-(CHLOROMETHYL)ETHYL)PHOSPHATE

> <OFR_CASRN>
66108-37-0

> <similarity>
0.826530612244898

$$$$
DTXSID00631833
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    5.3653    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3653    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0798   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7942    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00631833

> <Analog_DSSTox_Structure_Id>
DTXCID70582585

> <Analog_Original_SMILES>
CCC(Cl)CCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCC(Cl)CCCC(Cl)Cl

> <Analog_CASRN>
61700-00-3

> <Analog_preferred_name>
1,1,5-Trichloroheptane

> <Analog - index>
245|241

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8421052631578947|0.8421052631578947

$$$$
DTXSID00631999
  Mrv1813 07271812472D          

 12 11  0  0  0  0            999 V2000
    3.3945   -0.3707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2195   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320    0.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195    1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5050    0.6457    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    1.4707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8070    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320   -1.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195   -1.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320   -2.5141    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3945   -1.7996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00631999

> <Analog_DSSTox_Structure_Id>
DTXCID60582751

> <Analog_Original_SMILES>
CCC(Cl)(Cl)CC(Cl)CC(Cl)Cl

> <Analog_Canonical_QSARr>
CCC(Cl)(Cl)CC(Cl)CC(Cl)Cl

> <Analog_CASRN>
62619-23-2

> <Analog_preferred_name>
1,1,3,5,5-Pentachloroheptane

> <Analog - index>
239|239|209

> <OFR_ID>
3|21|67

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579

$$$$
DTXSID00632840
  Mrv1813 07271812472D          

 12 11  0  0  0  0            999 V2000
    6.6513    1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00632840

> <Analog_DSSTox_Structure_Id>
DTXCID70583592

> <Analog_Original_SMILES>
BrC(CCCCC(Br)CBr)CBr

> <Analog_Canonical_QSARr>
BrC(CCCCC(Br)CBr)CBr

> <Analog_CASRN>
62331-22-0

> <Analog_preferred_name>
1,2,7,8-Tetrabromooctane

> <Analog - index>
162|27|27|167|4|8

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9|0.9024390243902439|0.9024390243902439|0.8780487804878049|0.95|0.925

$$$$
DTXSID0063521
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
    7.8080    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0935    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3791    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357    3.2704    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5225    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2370    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6659    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3804    3.2704    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0063521

> <Analog_DSSTox_Structure_Id>
DTXCID5040419

> <Analog_Original_SMILES>
BrCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCBr

> <Analog_CASRN>
4549-33-1

> <Analog_preferred_name>
Nonane, 1,9-dibromo-

> <Analog - index>
26|45|45|31|82|80

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00666685
  Mrv1813 07271812472D          

  7  9  0  0  0  0            999 V2000
    3.7415    1.2216    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3562    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259   -0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0442   -0.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366    0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6786    0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00666685

> <Analog_DSSTox_Structure_Id>
DTXCID40617434

> <Analog_Original_SMILES>
BrC12C3C1CCC23

> <Analog_Canonical_QSARr>
BrC12C3C1CCC23

> <Analog_CASRN>
148730-68-1

> <Analog_preferred_name>
1-Bromotricyclo[3.1.0.0~2,6~]hexane

> <Analog - index>
21

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID0069412
  Mrv1813 07271812442D          

 15 15  0  0  0  0            999 V2000
    1.5718    1.3475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    1.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    2.1725    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5716    0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861    1.3475    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5716    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861   -0.3025    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -1.1275    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718   -0.3025    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5718    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    2.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    3.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0069412

> <Analog_DSSTox_Structure_Id>
DTXCID9042835

> <Analog_Original_SMILES>
OCCOC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
OCCOC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
60593-02-4

> <Analog_preferred_name>
Ethanol, 2-(pentabromophenoxy)-

> <Analog - index>
2

> <OFR_ID>
57

> <OFR_DTXSID>
DTXSID60886428

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
61262-53-1

> <similarity>
0.8282828282828283

$$$$
DTXSID00699599
  Mrv1813 07271812472D          

 21 20  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3507    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5257   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00699599

> <Analog_DSSTox_Structure_Id>
DTXCID60650348

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)CCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)CCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
865306-24-7

> <Analog_preferred_name>
1,1,1,3,11,13,13,13-Octachlorotridecane

> <Analog - index>
64|64|9|143

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID0070495
  Mrv1813 07271812442D          

 21 20  0  0  0  0            999 V2000
   -0.6039   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -2.2540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    0.6039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664    1.3184    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0070495

> <Analog_DSSTox_Structure_Id>
DTXCID2044890

> <Analog_Original_SMILES>
CC(C)(COP(=O)(OCCC(Cl)Cl)OCCC(Cl)Cl)CCl

> <Analog_Canonical_QSARr>
CC(C)(COP(=O)(OCCC(Cl)Cl)OCCC(Cl)Cl)CCl

> <Analog_CASRN>
67412-53-7

> <Analog_preferred_name>
3-Chloro-2,2-dimethylpropyl bis(dichloropropyl) phosphate

> <Analog - index>
9

> <OFR_ID>
138

> <OFR_DTXSID>
DTXSID7023805

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE

> <OFR_CASRN>
78-43-3

> <similarity>
0.8378378378378378

$$$$
DTXSID0074762
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0074762

> <Analog_DSSTox_Structure_Id>
DTXCID6041472

> <Analog_Original_SMILES>
BrC1C=C(Br)C=CC=1C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=CC=1C1C=CC=CC=1

> <Analog_CASRN>
53592-10-2

> <Analog_preferred_name>
PBB 007

> <Analog - index>
54|46|36|50|35|17

> <OFR_ID>
32|33|37|40|43|46

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-|115245-07-3|92-66-0

> <similarity>
0.8207547169811321|0.85|0.8282828282828283|0.8365384615384616|0.87|0.8505747126436781

$$$$
DTXSID0074764
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    0.4083   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062    0.1768    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -2.2982    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0074764

> <Analog_DSSTox_Structure_Id>
DTXCID0042531

> <Analog_Original_SMILES>
BrC1C=CC=C(Br)C=1C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC=C(Br)C=1C1C=CC=CC=1

> <Analog_CASRN>
59080-32-9

> <Analog_preferred_name>
PBB 010

> <Analog - index>
62|18|57

> <OFR_ID>
33|37|43

> <OFR_DTXSID>
DTXSID9074771|DTXSID5074769|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|?|?

> <OFR_CASRN>
59080-39-6|60044-25-9|115245-07-3

> <similarity>
0.8181818181818182|0.8723404255319149|0.82

$$$$
DTXSID0074766
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    0.2381   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    0.2750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -3.0250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2381   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960   -0.9625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3816    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0074766

> <Analog_DSSTox_Structure_Id>
DTXCID5042534

> <Analog_Original_SMILES>
BrC1=CC(C2=CC(Br)=CC=C2)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(C2=CC(Br)=CC=C2)=C(Br)C=C1

> <Analog_CASRN>
59080-35-2

> <Analog_preferred_name>
PBB 026

> <Analog - index>
53|49|31|42|4|30|23

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8018867924528302|0.8113207547169812|0.8962264150943396|0.8557692307692307|0.9285714285714286|0.8952380952380953|0.8932038834951457

$$$$
DTXSID0074768
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    0.3334   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811    0.2200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -1.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -3.0800    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3334   -1.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1913    0.6325    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7624    0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID0074768

> <Analog_DSSTox_Structure_Id>
DTXCID0042535

> <Analog_Original_SMILES>
BrC1=CC(C2C=CC(Br)=CC=2)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(C2C=CC(Br)=CC=2)=C(Br)C=C1

> <Analog_CASRN>
59080-36-3

> <Analog_preferred_name>
PBB 031

> <Analog - index>
39|39|27|12|29|27|12

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8461538461538461|0.8557692307692307|0.9056603773584906|0.9019607843137255|0.8446601941747572|0.9047619047619048|0.9215686274509803

$$$$
DTXSID00751388
  Mrv1813 07271812472D          

 12 13  0  0  0  0            999 V2000
    2.9703   -1.8288    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9703   -1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -0.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559    0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    0.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848   -0.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    1.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    1.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    2.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8328    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8328   -0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00751388

> <Analog_DSSTox_Structure_Id>
DTXCID40702132

> <Analog_Original_SMILES>
CCCC12CCC(Cl)(CC1)CC2

> <Analog_Canonical_QSARr>
CCCC12CCC(Cl)(CC1)CC2

> <Analog_CASRN>
89027-52-1

> <Analog_preferred_name>
1-Chloro-4-propylbicyclo[2.2.2]octane

> <Analog - index>
167|167|112|101

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID00756373
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
   -3.5723    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00756373

> <Analog_DSSTox_Structure_Id>
DTXCID90707117

> <Analog_Original_SMILES>
[Zn].[CH2-]CCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCl

> <Analog_CASRN>
90359-70-9

> <Analog_preferred_name>
PUBCHEM_71327281

> <Analog - index>
91|91|29|15

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID00773722
  Mrv1813 07271812472D          

 26 25  0  0  0  0            999 V2000
    6.0196   -0.3496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6071    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1946    1.0794    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8927   -0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927   -0.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7177   -0.8726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0677   -0.8726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8927   -1.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7177   -1.6976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0677   -1.6976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8927   -2.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782   -2.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637   -3.3476    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5907   -3.6496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7657   -2.2206    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3216    0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341    0.0629    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9091    1.4919    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    1.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    2.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    2.0149    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    2.0149    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    2.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    3.6649    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    2.8399    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    2.8399    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00773722

> <Analog_DSSTox_Structure_Id>
DTXCID90724465

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)(Cl)C(Cl)(Cl)CC(Cl)(Cl)C(Cl)(Cl)CC(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)(Cl)C(Cl)(Cl)CC(Cl)(Cl)C(Cl)(Cl)CC(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
190003-05-5

> <Analog_preferred_name>
1,1,1,2,2,4,4,5,5,7,7,8,8,10,10,10-Hexadecachlorodecane

> <Analog - index>
65|65

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8780487804878049|0.8780487804878049

$$$$
DTXSID00774279
  Mrv1813 07271812472D          

 11 13  0  0  0  0            999 V2000
    3.3161   -1.0826    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7327   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494   -1.0826    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3161    0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327    0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327    1.4925    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1494    0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  2  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00774279

> <Analog_DSSTox_Structure_Id>
DTXCID80725022

> <Analog_Original_SMILES>
ClC1(Cl)C2(CC2)C(Cl)C21CC2

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(CC2)C(Cl)C21CC2

> <Analog_CASRN>
188907-09-7

> <Analog_preferred_name>
4,4,8-Trichlorodispiro[2.1.2~5~.1~3~]octane

> <Analog - index>
246

> <OFR_ID>
67

> <OFR_DTXSID>
DTXSID10872457

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
NOCAS_872457

> <similarity>
0.8421052631578947

$$$$
DTXSID00788275
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    5.9369   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00788275

> <Analog_DSSTox_Structure_Id>
DTXCID30739018

> <Analog_Original_SMILES>
CC(C)(CCCBr)CCCBr

> <Analog_Canonical_QSARr>
CC(C)(CCCBr)CCCBr

> <Analog_CASRN>
54157-08-3

> <Analog_preferred_name>
1,7-Dibromo-4,4-dimethylheptane

> <Analog - index>
231|192|194|230

> <OFR_ID>
2|20|128|129

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.8461538461538461|0.825|0.8

$$$$
DTXSID00788639
  Mrv1813 07271812482D          

  5  4  0  0  0  0            999 V2000
    3.0269   -0.3006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7894    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519    1.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00788639

> <Analog_DSSTox_Structure_Id>
DTXCID40739382

> <Analog_Original_SMILES>
OCCCBr.OC=O

> <Analog_Canonical_QSARr>
OCCCBr

> <Analog_CASRN>
53452-10-1

> <Analog_preferred_name>
Formic acid--3-bromopropan-1-ol (1/1)

> <Analog - index>
4

> <OFR_ID>
102

> <OFR_DTXSID>
DTXSID9024641

> <OFR_PREFERRED_NAME>
3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
1522-92-5

> <similarity>
0.8518518518518519

$$$$
DTXSID00789560
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    3.5749   -3.2696    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5749   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999   -2.4446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7499   -2.4446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5749   -1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -0.3821    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894    0.4429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039    0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039    1.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039    2.5054    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8289    1.6804    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    1.6804    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1144   -0.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5269    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3519    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644   -0.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00789560

> <Analog_DSSTox_Structure_Id>
DTXCID50740303

> <Analog_Original_SMILES>
CCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

> <Analog_CASRN>
51287-49-1

> <Analog_preferred_name>
Ethyl bis(2,2,2-trichloroethyl) phosphate

> <Analog - index>
7|2|8|8

> <OFR_ID>
106|108|139|141

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
140-08-9|115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8163265306122449|0.9387755102040817|0.8518518518518519|0.8679245283018868

$$$$
DTXSID00792655
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00792655

> <Analog_DSSTox_Structure_Id>
DTXCID90743398

> <Analog_Original_SMILES>
[Li+].CCCCCC[C-](Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCC(Cl)Cl

> <Analog_CASRN>
66250-14-4

> <Analog_preferred_name>
Lithium 1,1-dichloroheptan-1-ide

> <Analog - index>
247|242

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8421052631578947|0.8421052631578947

$$$$
DTXSID00793682
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    4.0803    0.6205    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4969    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    1.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    2.0028    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.1778    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    1.1778    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725   -1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126   -0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00793682

> <Analog_DSSTox_Structure_Id>
DTXCID30744425

> <Analog_Original_SMILES>
Cl[C@@H]1CCCCCC[C@@H]1C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1CCCCCCC1C(Cl)(Cl)Cl

> <Analog_CASRN>
65311-43-5

> <Analog_preferred_name>
(1R,2S)-1-Chloro-2-(trichloromethyl)cyclooctane

> <Analog - index>
66|66|10|144

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID00796991
  Mrv1813 07271812472D          

 22 22  0  0  0  0            999 V2000
    3.5449    1.9110    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2274    1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5653    2.2002    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    0.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2175    1.5568    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    1.3428    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8526    1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777    0.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027   -0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -0.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1527   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526   -1.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1776   -2.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775   -2.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5524   -2.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274   -1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9023   -0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2523    0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273    1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8127    1.4980    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2571    2.0379    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00796991

> <Analog_DSSTox_Structure_Id>
DTXCID30747734

> <Analog_Original_SMILES>
BrC1(Br)C(Br)(Br)CCCCCCCCCCCCCC1(Br)Br

> <Analog_Canonical_QSARr>
BrC1(Br)C(Br)(Br)CCCCCCCCCCCCCC1(Br)Br

> <Analog_CASRN>
603138-48-3

> <Analog_preferred_name>
1,1,2,2,3,3-Hexabromocyclohexadecane

> <Analog - index>
0|28|28|15|69|63

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
1.0|0.9024390243902439|0.9024390243902439|0.925|0.8571428571428571|0.8780487804878049

$$$$
DTXSID00802425
  Mrv1813 07271812472D          

  9 10  0  0  0  0            999 V2000
    1.4990    0.5859    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -0.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7437   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7437    0.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5284    0.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0133   -0.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5284   -0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7833   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990   -0.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00802425

> <Analog_DSSTox_Structure_Id>
DTXCID80753168

> <Analog_Original_SMILES>
CC1CCC2C1C2(C)Br

> <Analog_Canonical_QSARr>
CC1CCC2C1C2(C)Br

> <Analog_CASRN>
64468-80-0

> <Analog_preferred_name>
6-Bromo-2,6-dimethylbicyclo[3.1.0]hexane

> <Analog - index>
174|186|186|179|173|171

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.8717948717948718|0.85|0.8717948717948718

$$$$
DTXSID00802480
  Mrv1813 07271812472D          

 12 13  0  0  0  0            999 V2000
    1.8088   -0.7480    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3391   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8088    0.5160    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0536   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6411   -1.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0536    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680    0.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4825    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4825   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -0.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9197    0.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070    0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00802480

> <Analog_DSSTox_Structure_Id>
DTXCID20753223

> <Analog_Original_SMILES>
CC1(C)CCC2(C)C(C1)C2(Br)Br

> <Analog_Canonical_QSARr>
CC1(C)CCC2(C)C(C1)C2(Br)Br

> <Analog_CASRN>
64392-75-2

> <Analog_preferred_name>
7,7-Dibromo-1,4,4-trimethylbicyclo[4.1.0]heptane

> <Analog - index>
128|149|149|133|44|38

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID00807319
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    5.8415   -2.7220    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1270   -2.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1270   -1.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415   -1.0720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -1.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -0.2470    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    0.5780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6981    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6981    1.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9836    2.2280    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -0.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500    0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -0.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00807319

> <Analog_DSSTox_Structure_Id>
DTXCID30758062

> <Analog_Original_SMILES>
COP(=O)(OCCCl)OC(F)CCl

> <Analog_Canonical_QSARr>
COP(=O)(OCCCl)OC(F)CCl

> <Analog_CASRN>
62576-37-8

> <Analog_preferred_name>
2-Chloroethyl 2-chloro-1-fluoroethyl methyl phosphate

> <Analog - index>
8|3|9|9

> <OFR_ID>
106|108|139|141

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
140-08-9|115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8076923076923077|0.9230769230769231|0.8421052631578947|0.8571428571428571

$$$$
DTXSID00807874
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    4.7848   -2.5797    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7848   -1.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703   -1.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703   -0.5172    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703    0.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3558    0.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3558    1.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    1.9578    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8953   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3078    0.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2453   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00807874

> <Analog_DSSTox_Structure_Id>
DTXCID20758617

> <Analog_Original_SMILES>
COP(=O)(CCCl)OCCCl

> <Analog_Canonical_QSARr>
COP(=O)(CCCl)OCCCl

> <Analog_CASRN>
62516-52-3

> <Analog_preferred_name>
2-Chloroethyl methyl (2-chloroethyl)phosphonate

> <Analog - index>
0

> <OFR_ID>
107

> <OFR_DTXSID>
DTXSID8027618

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6294-34-4

> <similarity>
0.9397590361445783

$$$$
DTXSID00814624
  Mrv1813 07271812472D          

  9  8  0  0  0  0            999 V2000
    5.0884   -0.3009    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.3739   -0.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6594   -0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450    0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305   -0.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0719    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6594    1.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469   -1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219   -1.0153    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00814624

> <Analog_DSSTox_Structure_Id>
DTXCID20765366

> <Analog_Original_SMILES>
OCC(CBr)(CI)CO

> <Analog_Canonical_QSARr>
OCC(CBr)(CI)CO

> <Analog_CASRN>
61729-13-3

> <Analog_preferred_name>
2-(Bromomethyl)-2-(iodomethyl)propane-1,3-diol

> <Analog - index>
5

> <OFR_ID>
101

> <OFR_DTXSID>
DTXSID9020164

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL

> <OFR_CASRN>
3296-90-0

> <similarity>
0.8125

$$$$
DTXSID00829319
  Mrv1813 07271812472D          

  9 10  0  0  0  0            999 V2000
    3.4553   -1.3258    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7408   -0.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283   -0.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728    1.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5478    1.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -0.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6964    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9158   -0.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9  3  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00829319

> <Analog_DSSTox_Structure_Id>
DTXCID90780061

> <Analog_Original_SMILES>
CC1(CC1)C1(C)CC1Br

> <Analog_Canonical_QSARr>
CC1(CC1)C1(C)CC1Br

> <Analog_CASRN>
88264-34-0

> <Analog_preferred_name>
2-Bromo-1,1'-dimethyl-1,1'-bi(cyclopropane)

> <Analog - index>
22

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID00830945
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    3.9367    0.5446    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3492   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617   -0.8843    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0637    0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4926    0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2071   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9216    0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505    0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0650   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    0.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0650   -0.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9203   -0.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2058   -0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -1.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00830945

> <Analog_DSSTox_Structure_Id>
DTXCID20781687

> <Analog_Original_SMILES>
COC(=O)C(Br)(Br)CCCCCCCC(=O)OC

> <Analog_Canonical_QSARr>
COC(=O)C(Br)(Br)CCCCCCCC(=O)OC

> <Analog_CASRN>
88033-42-5

> <Analog_preferred_name>
Dimethyl 2,2-dibromodecanedioate

> <Analog - index>
15

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8235294117647058

$$$$
DTXSID00833678
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    7.0800   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3656   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0800    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5090    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2234    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9379    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00833678

> <Analog_DSSTox_Structure_Id>
DTXCID10784420

> <Analog_Original_SMILES>
CCCCCCCC(CBr)CCCCC

> <Analog_Canonical_QSARr>
CCCCCCCC(CBr)CCCCC

> <Analog_CASRN>
85531-03-9

> <Analog_preferred_name>
6-(Bromomethyl)tridecane

> <Analog - index>
27|46|46|32|83|81

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID00850608
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    6.0924    0.3634    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3779    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634    0.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634   -0.4616    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634   -1.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9490   -1.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9490   -2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -2.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4884   -0.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9009   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -0.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3779    1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3779    2.4259    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    1.6009    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    1.6009    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00850608

> <Analog_DSSTox_Structure_Id>
DTXCID70801349

> <Analog_Original_SMILES>
COP(=O)(OCCC)OC(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
COP(=O)(OCCC)OC(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
54593-68-9

> <Analog_preferred_name>
Methyl propyl 1,2,2,2-tetrachloroethyl phosphate

> <Analog - index>
11

> <OFR_ID>
140

> <OFR_DTXSID>
DTXSID3027615

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6145-73-9

> <similarity>
0.8133333333333334

$$$$
DTXSID00866789
  Mrv1813 07271812472D          

 14 15  0  0  0  0            999 V2000
    0.7145   -5.4803    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -4.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -3.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.6553    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  6 11  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00866789

> <Analog_DSSTox_Structure_Id>
DTXCID20815032

> <Analog_Original_SMILES>
BrC1=CC=C(C=C1Br)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1=CC=C(C=C1Br)C1C=CC=CC=1

> <Analog_CASRN>
NOCAS_866789

> <Analog_preferred_name>
CERAPP_42140

> <Analog - index>
56|4|2|54|39|19|10

> <OFR_ID>
32|34|39|40|43|45|46

> <OFR_DTXSID>
DTXSID50218113|-|DTXSID4074770|-|DTXSID80151024|DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?|?|?

> <OFR_CASRN>
67888-96-4|-|77102-82-0|-|115245-07-3|92-86-4|92-66-0

> <similarity>
0.8113207547169812|0.8777777777777778|0.9090909090909091|0.8269230769230769|0.86|0.8023255813953488|0.8604651162790697

$$$$
DTXSID00867978
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    3.5208    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2353    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3787    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0932    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8076    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2366    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2366    2.0327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9510    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6655    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3800    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00867978

> <Analog_DSSTox_Structure_Id>
DTXCID00816123

> <Analog_Original_SMILES>
CCCCCCCCC(Cl)CCC

> <Analog_Canonical_QSARr>
CCCCCCCCC(Cl)CCC

> <Analog_CASRN>
NOCAS_867978

> <Analog_preferred_name>
CERAPP_45233

> <Analog - index>
92|92|30|16

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID00872628
  Mrv1813 07271812472D          

 19 18  0  0  0  0            999 V2000
    1.2033    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2033    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4888   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5125    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4888   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9178   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0612    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467   -1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00872628

> <Analog_DSSTox_Structure_Id>
DTXCID90820279

> <Analog_Original_SMILES>
CC(Cl)CCC(Cl)C(Cl)C(Cl)C(Cl)CCC(Cl)CC

> <Analog_Canonical_QSARr>
CC(Cl)CCC(Cl)C(Cl)C(Cl)C(Cl)CCC(Cl)CC

> <Analog_CASRN>
1637297-63-2

> <Analog_preferred_name>
2,5,6,7,8,11-Hexachlorotridecane

> <Analog - index>
0|0|73|62

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
1.0|1.0|0.925|0.925

$$$$
DTXSID00872643
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
   -2.1434    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
  7 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00872643

> <Analog_DSSTox_Structure_Id>
DTXCID30820293

> <Analog_Original_SMILES>
CC(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CCCC

> <Analog_Canonical_QSARr>
CC(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CCCC

> <Analog_CASRN>
1428966-53-3

> <Analog_preferred_name>
2,3,4,5,6,7-Hexachloroundecane

> <Analog - index>
5|5|146|135

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.975|0.975|0.9|0.9

$$$$
DTXSID00872648
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
   -2.5006    0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.6740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276    0.4529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026   -0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00872648

> <Analog_DSSTox_Structure_Id>
DTXCID70820297

> <Analog_Original_SMILES>
CCCCCCCCCC(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCC(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
63981-28-2

> <Analog_preferred_name>
1,?1,?1,?2-Tetrachloro-undecane

> <Analog - index>
67|67|156|145

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.8974358974358975|0.8974358974358975

$$$$
DTXSID00874142
  Mrv1813 07271812472D          

 17 19  0  0  0  0            999 V2000
    2.1883   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3001    0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7014    1.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164    0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7603    1.0810    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231   -0.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6880   -0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6506   -1.4531    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9009    0.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8248   -0.1170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8369    0.5348    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6758    1.9243    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1992    0.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    1.7538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6786    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5634    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  4 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00874142

> <Analog_DSSTox_Structure_Id>
DTXCID901012275

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C=C(Cl)C1(Cl)C1C2CC(Cl)C1Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C=C(Cl)C1(Cl)C1C2CC(Cl)C1Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
12|13

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.8384615384615385|0.8372093023255814

$$$$
DTXSID00875654
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID00875654

> <Analog_DSSTox_Structure_Id>
DTXCID801013775

> <Analog_Original_SMILES>
ClC1C(Cl)C(Cl)CC(Cl)C1Cl

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)CC(Cl)C1Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
219|219

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID10152367
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    4.5079   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10152367

> <Analog_DSSTox_Structure_Id>
DTXCID9074858

> <Analog_Original_SMILES>
BrC1C=C(Br)C(Br)=C(C2C=C(Br)C=C(Br)C=2Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(Br)=C(C2C=C(Br)C=C(Br)C=2Br)C=1Br

> <Analog_CASRN>
119264-54-9

> <Analog_preferred_name>
PBB 178

> <Analog - index>
8|5|6

> <OFR_ID>
23|38|47

> <OFR_DTXSID>
-|DTXSID0075108|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|?

> <OFR_CASRN>
-|16400-50-3|69278-62-2

> <similarity>
0.8444444444444444|0.8|0.8539325842696629

$$$$
DTXSID10176609
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
    4.0817   -1.5054    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3672   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3672   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3672    0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    0.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    0.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10176609

> <Analog_DSSTox_Structure_Id>
DTXCID0099100

> <Analog_Original_SMILES>
CC(CBr)(CO)CO

> <Analog_Canonical_QSARr>
CC(CBr)(CO)CO

> <Analog_CASRN>
2210-03-9

> <Analog_preferred_name>
2-(Bromomethyl)-2-methylpropane-1,3-diol

> <Analog - index>
0|5

> <OFR_ID>
101|102

> <OFR_DTXSID>
DTXSID9020164|DTXSID9024641

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL|3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
3296-90-0|1522-92-5

> <similarity>
0.9629629629629629|0.8518518518518519

$$$$
DTXSID10181177
  Mrv1813 07271812442D          

  9 10  0  0  0  0            999 V2000
    1.2889    0.7609    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9531   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2819   -0.9709    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7469    0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469   -0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10181177

> <Analog_DSSTox_Structure_Id>
DTXCID20103668

> <Analog_Original_SMILES>
BrC1(Br)C2CCC1CC2

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCC1CC2

> <Analog_CASRN>
26637-71-8

> <Analog_preferred_name>
Bicycloheptane, dibromo-

> <Analog - index>
197|205|205|206|207|202

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID10189890
  Mrv1813 07271812442D          

 18 17  0  0  0  0            999 V2000
    4.7519   -3.2427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7519   -2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5769   -2.4177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9269   -2.4177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7519   -1.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374   -1.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374   -0.3552    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374    0.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6085    2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374    2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2749    0.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0999    0.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10189890

> <Analog_DSSTox_Structure_Id>
DTXCID70112381

> <Analog_Original_SMILES>
CC(C)COP(=O)(OCC(Cl)(Cl)Cl)OCC(C)C

> <Analog_Canonical_QSARr>
CC(C)COP(=O)(OCC(Cl)(Cl)Cl)OCC(C)C

> <Analog_CASRN>
36366-20-8

> <Analog_preferred_name>
Phosphoric acid, diisobutyl 2,2,2-trichloroethyl ester

> <Analog - index>
7|2

> <OFR_ID>
138|140

> <OFR_DTXSID>
DTXSID7023805|DTXSID3027615

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE|?

> <OFR_CASRN>
78-43-3|6145-73-9

> <similarity>
0.8513513513513513|0.9545454545454546

$$$$
DTXSID10190209
  Mrv1813 07271812442D          

  3  2  0  0  0  0            999 V2000
    1.6501   -0.0688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10190209

> <Analog_DSSTox_Structure_Id>
DTXCID70112700

> <Analog_Original_SMILES>
[2H]C([2H])([2H])C([2H])([2H])Br

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
3675-63-6

> <Analog_preferred_name>
Bromoethane-(2H5)

> <Analog - index>
6|7

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID10192480
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
    1.6500   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10192480

> <Analog_DSSTox_Structure_Id>
DTXCID20114971

> <Analog_Original_SMILES>
ClCCCCCCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCCCCCCC(Cl)(Cl)Cl

> <Analog_CASRN>
3922-36-9

> <Analog_preferred_name>
Heptane, 1,1,1,7-tetrachloro-

> <Analog - index>
248|243

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8421052631578947|0.8421052631578947

$$$$
DTXSID10192869
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    2.3645   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  6 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10192869

> <Analog_DSSTox_Structure_Id>
DTXCID00115360

> <Analog_Original_SMILES>
FC1C=CC(=CC=1)C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
FC1C=CC(=CC=1)C1C=CC(Br)=CC=1

> <Analog_CASRN>
398-21-0

> <Analog_preferred_name>
4-Bromo-4'-fluoro-1,1'-biphenyl

> <Analog - index>
1|31

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8625|0.8117647058823529

$$$$
DTXSID10197415
  Mrv1813 07271812442D          

 17 18  0  0  0  0            999 V2000
    1.8582   -1.7009    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029   -0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174    0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5319    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140    0.9438    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5319   -0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3443    0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885    0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    1.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188   -1.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  6 10  1  0  0  0  0
 11  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10197415

> <Analog_DSSTox_Structure_Id>
DTXCID20119906

> <Analog_Original_SMILES>
CC(C)[C@H]1CC[C@@](C)(Cl)[C@H]2CC[C@@](C)(Cl)C[C@@H]21

> <Analog_Canonical_QSARr>
CC(C)C1CCC(C)(Cl)C2CCC(C)(Cl)CC21

> <Analog_CASRN>
481-35-6

> <Analog_preferred_name>
(9AlphaH,10beta,IH)-1beta,6beta-dichloro-1alpha,6alpha-dimethyl-4beta-isopropylperhydronaphthalene

> <Analog - index>
93|93|31|17

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID10197930
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    4.3037   -0.3536    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    2.9464    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  3  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  2 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10197930

> <Analog_DSSTox_Structure_Id>
DTXCID70120421

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1=CC=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1=CC=CC=C1Br

> <Analog_CASRN>
49602-91-7

> <Analog_preferred_name>
1,1'-Biphenyl, 2,4'-dibromo-

> <Analog - index>
59|55|56|49|18|9

> <OFR_ID>
32|33|40|43|45|46

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|-|DTXSID80151024|DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|-|115245-07-3|92-86-4|92-66-0

> <similarity>
0.8018867924528302|0.83|0.8173076923076923|0.8316831683168316|0.8117647058823529|0.8705882352941177

$$$$
DTXSID10201783
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    5.2700   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5556   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2700   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  5 10  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10201783

> <Analog_DSSTox_Structure_Id>
DTXCID40124274

> <Analog_Original_SMILES>
BrC1=CC=CC(OC2C=CC=CC=2)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC=CC(OC2C=CC=CC=2)=C1Br

> <Analog_CASRN>
53563-56-7

> <Analog_preferred_name>
Diphenyl ether, dibromo-

> <Analog - index>
35|36|28

> <OFR_ID>
26|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-15-4|60348-60-9

> <similarity>
0.82|0.81|0.85

$$$$
DTXSID10203601
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.3491   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3491    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3491    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3491   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  4 12  2  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
  2 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10203601

> <Analog_DSSTox_Structure_Id>
DTXCID00126092

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C(=C1)C1=CC(Br)=CC(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C(=C1)C1=CC(Br)=CC(Br)=C1Br

> <Analog_CASRN>
55066-76-7

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',5,5'-hexabromo-

> <Analog - index>
5|60|3|61|7

> <OFR_ID>
23|32|38|40|47

> <OFR_DTXSID>
-|DTXSID50218113|DTXSID0075108|-|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|?|?|?

> <OFR_CASRN>
-|67888-96-4|16400-50-3|-|69278-62-2

> <similarity>
0.8555555555555555|0.8018867924528302|0.8117647058823529|0.8|0.8444444444444444

$$$$
DTXSID10205822
  Mrv1813 07271812452D          

 14 15  0  0  0  0            999 V2000
    4.3037   -1.7679    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    2.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    3.1821    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  2 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10205822

> <Analog_DSSTox_Structure_Id>
DTXCID40128313

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1)C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1)C1C=CC(Br)=CC=1

> <Analog_CASRN>
57186-90-0

> <Analog_preferred_name>
1,1'-Biphenyl, 3,4'-dibromo-

> <Analog - index>
5|3|54|14|7

> <OFR_ID>
34|39|43|45|46

> <OFR_DTXSID>
-|DTXSID4074770|DTXSID80151024|DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?

> <OFR_CASRN>
-|77102-82-0|115245-07-3|92-86-4|92-66-0

> <similarity>
0.8764044943820225|0.9080459770114943|0.8217821782178217|0.8214285714285714|0.8809523809523809

$$$$
DTXSID10208095
  Mrv1813 07271812452D          

 10 14  0  0  0  0            999 V2000
    2.0467    1.2690    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4985    0.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1168    0.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280    0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1223   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735   -1.2701    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -0.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9092    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10208095

> <Analog_DSSTox_Structure_Id>
DTXCID30130586

> <Analog_Original_SMILES>
BrC12C3C4C1C1C2C3C14Br

> <Analog_Canonical_QSARr>
BrC12C3C4C1C1C2C3C14Br

> <Analog_CASRN>
59346-70-2

> <Analog_preferred_name>
Pentacyclo(4.2.0.02,5.03,8.04,7)octane,1,4-dibromo-

> <Analog - index>
184|12|12|188|9|3

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.875|0.925|0.925|0.8536585365853658|0.925|0.9487179487179487

$$$$
DTXSID10208252
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.5078   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10208252

> <Analog_DSSTox_Structure_Id>
DTXCID30130743

> <Analog_Original_SMILES>
BrC1C=C(C=C(Br)C=1Br)C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(C=C(Br)C=1Br)C1C=CC(Br)=CC=1

> <Analog_CASRN>
59589-92-3

> <Analog_preferred_name>
1,1'-Biphenyl, 3,4,4',5-tetrabromo-

> <Analog - index>
48|2|52|0|1|64|16

> <OFR_ID>
25|28|29|34|39|43|45

> <OFR_DTXSID>
DTXSID70218014|DTXSID10208772|DTXSID70858838|-|DTXSID4074770|DTXSID80151024|DTXSID1059072

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?

> <OFR_CASRN>
67733-52-2|60044-26-0|59080-40-9|-|77102-82-0|115245-07-3|92-86-4

> <similarity>
0.8163265306122449|0.8313253012048193|0.8080808080808081|0.9879518072289156|0.9523809523809523|0.801980198019802|0.8192771084337349

$$$$
DTXSID10209643
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    4.5078    0.2846    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.1096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.2846    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10209643

> <Analog_DSSTox_Structure_Id>
DTXCID60132134

> <Analog_Original_SMILES>
NC1C(Br)=CC=CC=1Br

> <Analog_Canonical_QSARr>
NC1C(Br)=CC=CC=1Br

> <Analog_CASRN>
608-30-0

> <Analog_preferred_name>
2,6-Dibromoaniline

> <Analog - index>
1

> <OFR_ID>
111

> <OFR_DTXSID>
DTXSID5051733

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
147-82-0

> <similarity>
0.8545454545454545

$$$$
DTXSID10211221
  Mrv1813 07271812452D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10211221

> <Analog_DSSTox_Structure_Id>
DTXCID10133712

> <Analog_Original_SMILES>
CCCCCCCC(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCCC(Br)Br

> <Analog_CASRN>
62168-26-7

> <Analog_preferred_name>
1,1-Dibromooctane

> <Analog - index>
129|150|150|134|45|39

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID10218114
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10218114

> <Analog_DSSTox_Structure_Id>
DTXCID30140605

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C=C1C1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C=C1C1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
67888-97-5

> <Analog_preferred_name>
2,4,5,3',4'-Pentabromobiphenyl

> <Analog - index>
16|6|1|17|20|12|42|8|23|27|19

> <OFR_ID>
23|25|29|32|33|34|37|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.8181818181818182|0.9595959595959596|0.9696969696969697|0.9245283018867925|0.8846153846153846|0.8469387755102041|0.8113207547169812|0.8367346938775511|0.9056603773584906|0.8857142857142857|0.8080808080808081

$$$$
DTXSID10228273
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.3490   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10228273

> <Analog_DSSTox_Structure_Id>
DTXCID30150764

> <Analog_Original_SMILES>
BrC1C(=CC(Br)=C(Br)C=1Br)C1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1C(=CC(Br)=C(Br)C=1Br)C1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
77607-09-1

> <Analog_preferred_name>
2,3,3',4,4',5-Hexabromobiphenyl

> <Analog - index>
14|3|6|24|26|9|48|13|29|32|16

> <OFR_ID>
23|25|29|32|33|34|37|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.826530612244898|0.9693877551020408|0.9595959595959596|0.9150943396226415|0.875|0.8556701030927835|0.8018867924528302|0.826530612244898|0.8962264150943396|0.8761904761904762|0.8163265306122449

$$$$
DTXSID1024126
  Mrv1813 07271812442D          

 18 21  0  0  0  0            999 V2000
    2.8177   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094   -2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3515   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614   -1.4335    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2823   -0.8066    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6529    0.2916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -0.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9764    0.1076    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -0.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -1.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894   -1.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106   -2.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -3.0973    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -2.9769    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4119   -2.3217    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
 10  5  1  0  0  0  0
  1 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1024126

> <Analog_DSSTox_Structure_Id>
DTXCID604126

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
1024-57-3

> <Analog_preferred_name>
Heptachlor epoxide

> <Analog - index>
0

> <OFR_ID>
58

> <OFR_DTXSID>
DTXSID0052702

> <OFR_PREFERRED_NAME>
1,4:6,9-Dimethanodibenzofuran, 1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-

> <OFR_CASRN>
31107-44-5

> <similarity>
0.8016194331983806

$$$$
DTXSID1026085
  Mrv1813 07271812442D          

 12 12  0  0  0  0            999 V2000
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2211    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.6039    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.2539    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6039    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1026085

> <Analog_DSSTox_Structure_Id>
DTXCID006085

> <Analog_Original_SMILES>
CC1=C(Br)C(Br)=C(Br)C(Br)=C1C

> <Analog_Canonical_QSARr>
CC1=C(Br)C(Br)=C(Br)C(Br)=C1C

> <Analog_CASRN>
36059-21-9

> <Analog_preferred_name>
3,4,5,6-Tetrabromo-o-xylene

> <Analog - index>
0|0

> <OFR_ID>
124|134

> <OFR_DTXSID>
DTXSID3025833|DTXSID8052697

> <OFR_PREFERRED_NAME>
PENTABROMOTOLUENE|Benzene, 1,2,4,5-tetrabromo-3,6-dimethyl-

> <OFR_CASRN>
87-83-2|23488-38-2

> <similarity>
0.8936170212765957|0.8

$$$$
DTXSID10274210
  Mrv1813 07271812452D          

 25 24  0  0  0  0            999 V2000
   -3.5716    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -0.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282   -0.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -0.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -0.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587   -0.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2876   -0.8819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9856    0.2450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1606   -1.1839    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2712    0.6575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -0.7714    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1442    1.1806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -0.8819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    1.1806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -0.8819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    1.1806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282   -0.8819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    1.1806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -0.8819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2860   -0.0569    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
  7 19  1  0  0  0  0
  6 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
  3 23  1  0  0  0  0
  2 24  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10274210

> <Analog_DSSTox_Structure_Id>
DTXCID00196598

> <Analog_Original_SMILES>
ClC(Cl)(Cl)C(Cl)(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CCl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)C(Cl)(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CCl

> <Analog_CASRN>
NOCAS_274210

> <Analog_preferred_name>
1,1,1,2,2,3,4,5,6,7,8,9,10,11? tetradecachloroundecane

> <Analog - index>
3|3|144|133

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.975609756097561|0.975609756097561|0.9024390243902439|0.9024390243902439

$$$$
DTXSID10274659
  Mrv1813 07271812452D          

 12 11  0  0  0  0            999 V2000
    7.0088    1.2376    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0088    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5799    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8654    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4378    0.4126    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10274659

> <Analog_DSSTox_Structure_Id>
DTXCID00226122

> <Analog_Original_SMILES>
CCCCCCCCC(Br)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCC(Br)CBr

> <Analog_CASRN>
28467-71-2

> <Analog_preferred_name>
1,2-DIBROMODECANE

> <Analog - index>
3|13|13|125|32|26

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.925|0.925|0.9|0.8780487804878049|0.9

$$$$
DTXSID1027471
  Mrv1813 07271812442D          

 15 14  0  0  0  0            999 V2000
    0.7132    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1421    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5710    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -0.3885    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1027471

> <Analog_DSSTox_Structure_Id>
DTXCID007471

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCl

> <Analog_CASRN>
2425-54-9

> <Analog_preferred_name>
1-Chlorotetradecane

> <Analog - index>
94|94|32|18

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID10278632
  Mrv1813 07271812452D          

 15 15  0  0  0  0            999 V2000
    3.0789   -2.7090    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.2410    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    2.5430    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1140    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
  3 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10278632

> <Analog_DSSTox_Structure_Id>
DTXCID90229788

> <Analog_Original_SMILES>
CC(C)(Cl)C1CCC(CC(Cl)(Cl)Cl)CC1

> <Analog_Canonical_QSARr>
CC(C)(Cl)C1CCC(CC(Cl)(Cl)Cl)CC1

> <Analog_CASRN>
5402-78-8

> <Analog_preferred_name>
1-(2-chloropropan-2-yl)-4-(2,2,2-trichloroethyl)cyclohexane

> <Analog - index>
203|203|167|165

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID10283867
  Mrv1813 07271812452D          

 10  9  0  0  0  0            999 V2000
    5.6510    1.1963    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6510    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3642    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0799    0.3713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10283867

> <Analog_DSSTox_Structure_Id>
DTXCID60235018

> <Analog_Original_SMILES>
CCCCCCC(Br)CBr

> <Analog_Canonical_QSARr>
CCCCCCC(Br)CBr

> <Analog_CASRN>
6269-92-7

> <Analog_preferred_name>
1,2-Dibromooctane

> <Analog - index>
28|47|47|172|20|14

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.875|0.9|0.9230769230769231

$$$$
DTXSID1029095
  Mrv1813 07271812442D          

 17 16  0  0  0  0            999 V2000
    3.3039   -1.4413    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789   -1.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -2.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895   -2.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895   -3.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645   -3.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -4.2183    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5895   -4.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4145   -3.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -0.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895   -0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895    0.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    1.0337    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -1.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -2.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -2.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -2.8703    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1029095

> <Analog_DSSTox_Structure_Id>
DTXCID609095

> <Analog_Original_SMILES>
CC(C)(COP(=O)(OCCCl)OCCBr)CBr

> <Analog_Canonical_QSARr>
CC(C)(COP(=O)(OCCCl)OCCBr)CBr

> <Analog_CASRN>
125997-20-8

> <Analog_preferred_name>
Phosphoric acid, mixed 3-bromo-2,2-dimethylpropyl and 2-bromoethyl and 2-chloroethyl esters

> <Analog - index>
5

> <OFR_ID>
136

> <OFR_DTXSID>
DTXSID5021413

> <OFR_PREFERRED_NAME>
TRIS(2,3-DIBROMOPROPYL) PHOSPHATE

> <OFR_CASRN>
126-72-7

> <similarity>
0.8045977011494253

$$$$
DTXSID10291780
  Mrv1813 07271812452D          

 10 10  0  0  0  0            999 V2000
    4.5078    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.7779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10291780

> <Analog_DSSTox_Structure_Id>
DTXCID00242923

> <Analog_Original_SMILES>
OC1C=C(O)C(Br)=CC=1Br

> <Analog_Canonical_QSARr>
OC1C=C(O)C(Br)=CC=1Br

> <Analog_CASRN>
61524-51-4

> <Analog_preferred_name>
4,6-Dibromobenzene-1,3-diol

> <Analog - index>
3

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8666666666666667

$$$$
DTXSID10300129
  Mrv1813 07271812452D          

 10 11  0  0  0  0            999 V2000
    1.7628   -1.7414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7628   -0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    1.5586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253   -0.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10300129

> <Analog_DSSTox_Structure_Id>
DTXCID70251264

> <Analog_Original_SMILES>
ClC12CCC(Cl)(CC1)CC2

> <Analog_Canonical_QSARr>
ClC12CCC(Cl)(CC1)CC2

> <Analog_CASRN>
1123-39-3

> <Analog_preferred_name>
1,4-Dichlorobicyclo[2.2.2]octane

> <Analog - index>
220|220|249|182

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8421052631578947|0.8918918918918919

$$$$
DTXSID10306227
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    3.3702    1.0218    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0022    0.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342    1.0218    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8752   -0.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608   -0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463   -0.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8752   -1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4147   -0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  4  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10306227

> <Analog_DSSTox_Structure_Id>
DTXCID00257355

> <Analog_Original_SMILES>
CC(CC)C1CC1(Br)Br

> <Analog_Canonical_QSARr>
CC(CC)C1CC1(Br)Br

> <Analog_CASRN>
81440-08-6

> <Analog_preferred_name>
1,1-Dibromo-2-(butan-2-yl)cyclopropane

> <Analog - index>
23

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID10307618
  Mrv1813 07271812452D          

 14 16  0  0  0  0            999 V2000
    2.5817   -1.5861    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5816   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    1.6016    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   -0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -0.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 13  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 11  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  4  5  1  0  0  0  0
  2 13  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10307618

> <Analog_DSSTox_Structure_Id>
DTXCID40258745

> <Analog_Original_SMILES>
CC12CC3(C)CC(Cl)(C1)CC(Cl)(C2)C3

> <Analog_Canonical_QSARr>
CC12CC3(C)CC(Cl)(C1)CC(Cl)(C2)C3

> <Analog_CASRN>
17768-33-1

> <Analog_preferred_name>
1,3-Dichloro-5,7-dimethyltricyclo[3.3.1.1~3,7~]decane

> <Analog - index>
221

> <OFR_ID>
67

> <OFR_DTXSID>
DTXSID10872457

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
NOCAS_872457

> <similarity>
0.8648648648648649

$$$$
DTXSID10323752
  Mrv1813 07271812452D          

 37 36  0  0  0  0            999 V2000
    1.6517    0.1951    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2240   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9385    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3674    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5108   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2253    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9398   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3687   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0832    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7977   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2266   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9411    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6555   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3700    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0845   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7990    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5134   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2279    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9424   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6568    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3713   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0858    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8003   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5147    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2292   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9437    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6581   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3726    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10323752

> <Analog_DSSTox_Structure_Id>
DTXCID40274869

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
7461-19-0

> <Analog_preferred_name>
1-Bromohexatriacontane

> <Analog - index>
29|48|48|33|84|82

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10336685
  Mrv1813 07271812452D          

  6  5  0  0  0  0            999 V2000
    3.0788   -1.2227    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4913   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10336685

> <Analog_DSSTox_Structure_Id>
DTXCID00287773

> <Analog_Original_SMILES>
CC(CO)CBr

> <Analog_Canonical_QSARr>
CC(CO)CBr

> <Analog_CASRN>
40145-08-2

> <Analog_preferred_name>
3-bromo-2-methylpropan-1-ol

> <Analog - index>
6

> <OFR_ID>
102

> <OFR_DTXSID>
DTXSID9024641

> <OFR_PREFERRED_NAME>
3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
1522-92-5

> <similarity>
0.8518518518518519

$$$$
DTXSID1033876
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    0.9052   -2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908   -2.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908   -3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052   -3.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197   -3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197   -2.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197   -0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197    0.0079    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1033876

> <Analog_DSSTox_Structure_Id>
DTXCID9013876

> <Analog_Original_SMILES>
BrCCC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrCCC1C=CC=CC=1

> <Analog_CASRN>
103-63-9

> <Analog_preferred_name>
Phenethyl bromide

> <Analog - index>
5

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8795180722891566

$$$$
DTXSID10362863
  Mrv1813 07271812452D          

 13 15  0  0  0  0            999 V2000
    2.1988   -2.6609    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1988   -1.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778   -0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272   -0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0983   -0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488   -0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0983    0.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627    0.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272    0.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 13 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
  8 10  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10362863

> <Analog_DSSTox_Structure_Id>
DTXCID70313912

> <Analog_Original_SMILES>
BrCCC12CC3CC(C1)CC(C2)C3

> <Analog_Canonical_QSARr>
BrCCC12CC3CC(C1)CC(C2)C3

> <Analog_CASRN>
773-37-5

> <Analog_preferred_name>
1-(2-bromoethyl)adamantane

> <Analog - index>
30|49|49|34|85|83

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10370802
  Mrv1813 07271812462D          

 13 15  0  0  0  0            999 V2000
    2.9142   -1.4372    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9142   -0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282   -0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    0.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0993    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0993   -0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498   -0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8306    0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491   -0.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 11  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 10  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  0  0  0  0
  2 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10370802

> <Analog_DSSTox_Structure_Id>
DTXCID30321836

> <Analog_Original_SMILES>
CCC12CC3(Br)CC(C1)CC(C2)C3

> <Analog_Canonical_QSARr>
CCC12CC3(Br)CC(C1)CC(C2)C3

> <Analog_CASRN>
878-61-5

> <Analog_preferred_name>
1-bromo-3-ethyladamantane

> <Analog - index>
31|50|50|35|86|84

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10378803
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.6375    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9231    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7797    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.8562    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9231   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10378803

> <Analog_DSSTox_Structure_Id>
DTXCID10329830

> <Analog_Original_SMILES>
COC1C(Br)=CC(F)=CC=1Br

> <Analog_Canonical_QSARr>
COC1C(Br)=CC(F)=CC=1Br

> <Analog_CASRN>
443-41-4

> <Analog_preferred_name>
1,3-dibromo-5-fluoro-2-methoxybenzene

> <Analog - index>
4

> <OFR_ID>
125

> <OFR_DTXSID>
DTXSID1060558

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
607-99-8

> <similarity>
0.8028169014084507

$$$$
DTXSID10399114
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    8.3865    1.2670    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3865    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6720    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9576    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2431    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5286    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0997    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9563    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1010    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8154    0.4420    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10399114

> <Analog_DSSTox_Structure_Id>
DTXCID70349973

> <Analog_Original_SMILES>
CCCCCCCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Cl)CCl

> <Analog_CASRN>
75121-23-2

> <Analog_preferred_name>
1,2-dichlorododecane

> <Analog - index>
48|48|84|73

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID10404454
  Mrv1813 07271812462D          

 20 19  0  0  0  0            999 V2000
    1.6497   -0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2234   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9378    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6523   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3668    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0812   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7957    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5102   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2247    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10404454

> <Analog_DSSTox_Structure_Id>
DTXCID80355308

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
31772-06-2

> <Analog_preferred_name>
1,18-Dibromooctadecane

> <Analog - index>
32|51|51|36|87|85

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10413369
  Mrv1813 07271812462D          

 16 19  0  0  0  0            999 V2000
    3.8303    0.5078    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9996   -0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1522   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7251    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0445    1.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0932    1.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5891    0.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   -0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9653   -0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115   -0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514    0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890   -1.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    0.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
 11 12  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
 11 15  1  0  0  0  0
 16  8  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10413369

> <Analog_DSSTox_Structure_Id>
DTXCID50364220

> <Analog_Original_SMILES>
CC1(C)C2C3CCC2C2(C)CCC1CC23Br

> <Analog_Canonical_QSARr>
CC1(C)C2C3CCC2C2(C)CCC1CC23Br

> <Analog_CASRN>
7236-27-3

> <Analog_preferred_name>
AGN-PC-0LP634

> <Analog - index>
33|52|52|37|88|86

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10438375
  Mrv1813 07271812462D          

 21 24  0  0  0  0            999 V2000
    3.8491   -3.9535    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -3.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5635   -2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5635   -1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5635   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5635    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    0.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780   -0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491    0.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1346    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1346   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201   -0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7057   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7057    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    0.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1346   -1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1346   -2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20  5  1  0  0  0  0
 21 20  2  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10438375

> <Analog_DSSTox_Structure_Id>
DTXCID70389197

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C2=CC=CC=C2C=C2C=CC=CC2=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C2=CC=CC=C2C=C2C=CC=CC2=1

> <Analog_CASRN>
24672-71-7

> <Analog_preferred_name>
9-(4-bromophenyl)anthracene

> <Analog - index>
12|5

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8271604938271605|0.8888888888888888

$$$$
DTXSID1044148
  Mrv1813 07271812442D          

  7  7  0  0  0  0            999 V2000
    0.7153   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298   -2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298   -1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -0.0011    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1044148

> <Analog_DSSTox_Structure_Id>
DTXCID9024148

> <Analog_Original_SMILES>
BrC1CCCCC1

> <Analog_Canonical_QSARr>
BrC1CCCCC1

> <Analog_CASRN>
108-85-0

> <Analog_preferred_name>
Bromocyclohexane

> <Analog - index>
24

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID10480915
  Mrv1813 07271812462D          

  3  2  0  0  0  0            999 V2000
    2.0928    0.2750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10480915

> <Analog_DSSTox_Structure_Id>
DTXCID10431725

> <Analog_Original_SMILES>
[2H]C([2H])([2H])CBr

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
7439-86-3

> <Analog_preferred_name>
Bromoethane-2,2,2-d3

> <Analog - index>
7|8

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID10487202
  Mrv1813 07271812462D          

 12 13  0  0  0  0            999 V2000
    1.4943    0.6814    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9511   -0.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9806   -0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878    0.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054   -1.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660   -1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846   -0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2766    0.2677    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0558   -0.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10487202

> <Analog_DSSTox_Structure_Id>
DTXCID10438012

> <Analog_Original_SMILES>
CC1(C)C2CC(Cl)C1(C)C(Cl)C2

> <Analog_Canonical_QSARr>
CC1(C)C2CC(Cl)C1(C)C(Cl)C2

> <Analog_CASRN>
3212-36-0

> <Analog_preferred_name>
Bicyclo[2.2.1]heptane, 2,6-dichloro-1,7,7-trimethyl-

> <Analog - index>
49|49|85|205

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.8717948717948718

$$$$
DTXSID10500521
  Mrv1813 07271812432D          

  8  7  0  0  0  0            999 V2000
    1.4713    0.3094    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1857   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.3094    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.0436   -0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7581    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  CHG  1   5   1
M  END
> <Analog_dsstox_substance_id>
DTXSID10500521

> <Analog_DSSTox_Structure_Id>
DTXCID00451331

> <Analog_Original_SMILES>
CO[P+](=O)OCCCl

> <Analog_Canonical_QSARr>
CO[P+](=O)OCCCl

> <Analog_CASRN>
37788-50-4

> <Analog_preferred_name>
(2-Chloroethoxy)(methoxy)oxophosphanium

> <Analog - index>
15|17

> <OFR_ID>
108|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-84-5

> <similarity>
0.875|0.8076923076923077

$$$$
DTXSID10502040
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    7.0907   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0907    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3762    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6618    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9473    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3749    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8052    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5197    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2341    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10502040

> <Analog_DSSTox_Structure_Id>
DTXCID70452850

> <Analog_Original_SMILES>
CCCCCCCCC(Cl)CCC

> <Analog_Canonical_QSARr>
CCCCCCCCC(Cl)CCC

> <Analog_CASRN>
2350-13-2

> <Analog_preferred_name>
4-Chlorododecane

> <Analog - index>
95|95|33|19

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID10502707
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    5.2221    1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10502707

> <Analog_DSSTox_Structure_Id>
DTXCID00453517

> <Analog_Original_SMILES>
CC(Br)C(Br)CCCCC

> <Analog_Canonical_QSARr>
CC(Br)C(Br)CCCCC

> <Analog_CASRN>
62161-29-9

> <Analog_preferred_name>
2,3-Dibromooctane

> <Analog - index>
130|151|151|191|46|40

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.85|0.875|0.8974358974358975

$$$$
DTXSID10505970
  Mrv1813 07271812462D          

 12 13  0  0  0  0            999 V2000
    3.3965   -1.9243    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3965   -1.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109   -0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    1.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    2.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10505970

> <Analog_DSSTox_Structure_Id>
DTXCID90456779

> <Analog_Original_SMILES>
CCCC12CCC(Br)(CC1)CC2

> <Analog_Canonical_QSARr>
CCCC12CCC(Br)(CC1)CC2

> <Analog_CASRN>
76921-50-1

> <Analog_preferred_name>
1-Bromo-4-propylbicyclo[2.2.2]octane

> <Analog - index>
131|152|152|135|184|182

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID10506028
  Mrv1813 07271812462D          

 12 14  0  0  0  0            999 V2000
    5.3220   -0.5579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165   -0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040   -1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9071    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    1.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    0.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896   -0.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255   -0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10506028

> <Analog_DSSTox_Structure_Id>
DTXCID10456837

> <Analog_Original_SMILES>
ClC12CC3CC(CC(C1)C3)CC2

> <Analog_Canonical_QSARr>
ClC12CC3CC(CC(C1)C3)CC2

> <Analog_CASRN>
27011-47-8

> <Analog_preferred_name>
3-Chlorotricyclo[4.3.1.1~3,8~]undecane

> <Analog - index>
168|168|113|102

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID10509211
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    8.0799   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0799   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5088   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2233    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10509211

> <Analog_DSSTox_Structure_Id>
DTXCID90460018

> <Analog_Original_SMILES>
COC(=O)C(Br)CCCCCCC(=O)OC

> <Analog_Canonical_QSARr>
COC(=O)C(Br)CCCCCCC(=O)OC

> <Analog_CASRN>
6415-48-1

> <Analog_preferred_name>
Dimethyl 2-bromononanedioate

> <Analog - index>
16

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8235294117647058

$$$$
DTXSID10511273
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    5.1583    0.9618    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6063    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993    0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2473   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5798   -0.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348   -1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598   -1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147   -0.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952    0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502    1.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    1.9180    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10511273

> <Analog_DSSTox_Structure_Id>
DTXCID20462080

> <Analog_Original_SMILES>
BrCCC1(CCBr)CCCC1

> <Analog_Canonical_QSARr>
BrCCC1(CCBr)CCCC1

> <Analog_CASRN>
3187-39-1

> <Analog_preferred_name>
1,1-Bis(2-bromoethyl)cyclopentane

> <Analog - index>
232|196|196|193|195|192

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.825|0.825|0.8461538461538461|0.825|0.8461538461538461

$$$$
DTXSID10515670
  Mrv1813 07271812462D          

  9 10  0  0  0  0            999 V2000
    1.9643    1.1270    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3768    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6623   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643   -1.1270    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0913   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10515670

> <Analog_DSSTox_Structure_Id>
DTXCID70466477

> <Analog_Original_SMILES>
BrC12CC1(Br)CCCC2

> <Analog_Canonical_QSARr>
BrC12CC1(Br)CCCC2

> <Analog_CASRN>
85739-35-1

> <Analog_preferred_name>
1,6-Dibromobicyclo[4.1.0]heptane

> <Analog - index>
185|194|194|238|41|185|183

> <OFR_ID>
2|4|19|20|113|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID4052687|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|?|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|1837-91-8|3322-93-8|3194-57-8

> <similarity>
0.8717948717948718|0.8292682926829268|0.8292682926829268|0.8048780487804879|0.8378378378378378|0.8292682926829268|0.85

$$$$
DTXSID10521438
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    3.7285    2.4375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996   -0.0375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  5 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10521438

> <Analog_DSSTox_Structure_Id>
DTXCID60472244

> <Analog_Original_SMILES>
CC(CCl)OP1OCCCO1

> <Analog_Canonical_QSARr>
CC(CCl)OP1OCCCO1

> <Analog_CASRN>
87989-82-0

> <Analog_preferred_name>
2-[(1-Chloropropan-2-yl)oxy]-1,3,2-dioxaphosphinane

> <Analog - index>
14

> <OFR_ID>
140

> <OFR_DTXSID>
DTXSID3027615

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6145-73-9

> <similarity>
0.8

$$$$
DTXSID10526706
  Mrv1813 07271812462D          

  8  8  0  0  0  0            999 V2000
    3.3171    0.9990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    0.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5811    0.9990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8221   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3616   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10526706

> <Analog_DSSTox_Structure_Id>
DTXCID00477511

> <Analog_Original_SMILES>
CCCC1CC1(Br)Br

> <Analog_Canonical_QSARr>
CCCC1CC1(Br)Br

> <Analog_CASRN>
89192-49-4

> <Analog_preferred_name>
1,1-Dibromo-2-propylcyclopropane

> <Analog - index>
25

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID10526807
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    3.5572   -0.3788    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9697    0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7947    0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2072   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9217    0.0337    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4927   -0.7913    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6197   -1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4447   -1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8572   -1.8077    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8572   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10526807

> <Analog_DSSTox_Structure_Id>
DTXCID00477612

> <Analog_Original_SMILES>
CC(Br)CC(Br)(Br)CC(Br)CCCC

> <Analog_Canonical_QSARr>
CC(Br)CC(Br)(Br)CC(Br)CCCC

> <Analog_CASRN>
90278-17-4

> <Analog_preferred_name>
2,4,4,6-Tetrabromodecane

> <Analog - index>
12|29|29|2|70|64

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9487179487179487|0.9024390243902439|0.9024390243902439|0.9743589743589743|0.8571428571428571|0.8780487804878049

$$$$
DTXSID10539578
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    1.6503    0.4126    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10539578

> <Analog_DSSTox_Structure_Id>
DTXCID40490365

> <Analog_Original_SMILES>
CCCCCCCC[C@H](C)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCC(C)CBr

> <Analog_CASRN>
79847-82-8

> <Analog_preferred_name>
(2S)-1-Bromo-2-methyldecane

> <Analog - index>
34|53|53|38|89|87

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10540068
  Mrv1813 07271812462D          

 12 13  0  0  0  0            999 V2000
    3.0920    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0920    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0920   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0920   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8064   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10540068

> <Analog_DSSTox_Structure_Id>
DTXCID90490855

> <Analog_Original_SMILES>
BrC12CCCCC1(Br)CCCC2

> <Analog_Canonical_QSARr>
BrC12CCCCC1(Br)CCCC2

> <Analog_CASRN>
88466-45-9

> <Analog_preferred_name>
4a,8a-Dibromodecahydronaphthalene

> <Analog - index>
13|3|3|168|12|9

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9487179487179487|0.95|0.95|0.8780487804878049|0.9024390243902439|0.925

$$$$
DTXSID10544889
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    1.6499   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10544889

> <Analog_DSSTox_Structure_Id>
DTXCID00495674

> <Analog_Original_SMILES>
CCCC1CCC(CCl)CC1

> <Analog_Canonical_QSARr>
CCCC1CCC(CCl)CC1

> <Analog_CASRN>
135807-96-4

> <Analog_preferred_name>
1-(Chloromethyl)-4-propylcyclohexane

> <Analog - index>
96|96|34|20

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID10553375
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
   -0.2337   -0.9000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4808   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7676   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7676    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10553375

> <Analog_DSSTox_Structure_Id>
DTXCID40504158

> <Analog_Original_SMILES>
BrCCCCC1CCCCC1

> <Analog_Canonical_QSARr>
BrCCCCC1CCCCC1

> <Analog_CASRN>
60439-16-9

> <Analog_preferred_name>
(4-Bromobutyl)cyclohexane

> <Analog - index>
35|54|54|39|90|88

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10569138
  Mrv1813 07271812462D          

  9 10  0  0  0  0            999 V2000
    2.3697   -1.7725    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407   -0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3697    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3697   -0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10569138

> <Analog_DSSTox_Structure_Id>
DTXCID50519910

> <Analog_Original_SMILES>
BrCC12CC(CC1)CC2

> <Analog_Canonical_QSARr>
BrCC12CC(CC1)CC2

> <Analog_CASRN>
61192-17-4

> <Analog_preferred_name>
1-(Bromomethyl)bicyclo[2.2.1]heptane

> <Analog - index>
238

> <OFR_ID>
2

> <OFR_DTXSID>
DTXSID70180181

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-

> <OFR_CASRN>
25495-98-1

> <similarity>
0.8157894736842105

$$$$
DTXSID10569638
  Mrv1813 07271812462D          

 19 20  0  0  0  0            999 V2000
    5.9369   -2.0601    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.8899    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.4149    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.0601    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  6 14  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10569638

> <Analog_DSSTox_Structure_Id>
DTXCID00520410

> <Analog_Original_SMILES>
OC1C(Br)=CC(=CC=1Br)SC1=CC(Br)=C(O)C(Br)=C1

> <Analog_Canonical_QSARr>
OC1C(Br)=CC(=CC=1Br)SC1=CC(Br)=C(O)C(Br)=C1

> <Analog_CASRN>
40654-51-1

> <Analog_preferred_name>
4,4'-Sulfanediylbis(2,6-dibromophenol)

> <Analog - index>
1

> <OFR_ID>
42

> <OFR_DTXSID>
DTXSID0052708

> <OFR_PREFERRED_NAME>
TETRABROMOBISPHENOL S

> <OFR_CASRN>
39635-79-5

> <similarity>
0.8737864077669902

$$$$
DTXSID10572006
  Mrv1813 07271812462D          

 14 15  0  0  0  0            999 V2000
    1.6612   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3757   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0902   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2336   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2336    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10572006

> <Analog_DSSTox_Structure_Id>
DTXCID60522778

> <Analog_Original_SMILES>
BrC(Br)=CC1=CC2=CC=CC=C2C=C1

> <Analog_Canonical_QSARr>
BrC(Br)=CC1=CC2=CC=CC=C2C=C1

> <Analog_CASRN>
218902-65-9

> <Analog_preferred_name>
2-(2,2-Dibromoethenyl)naphthalene

> <Analog - index>
0

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8783783783783784

$$$$
DTXSID10576524
  Mrv1813 07271812462D          

 17 16  0  0  0  0            999 V2000
    9.5086   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.5086   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6520    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10576524

> <Analog_DSSTox_Structure_Id>
DTXCID30527295

> <Analog_Original_SMILES>
COC(=O)C(Br)CCCCCCCCCC=O

> <Analog_Canonical_QSARr>
COC(=O)C(Br)CCCCCCCCCC=O

> <Analog_CASRN>
132284-41-4

> <Analog_preferred_name>
Methyl 2-bromo-12-oxododecanoate

> <Analog - index>
17

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8235294117647058

$$$$
DTXSID10577713
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    1.5719   -3.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863   -3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719   -1.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    0.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715   -0.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -1.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -2.2276    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -3.8776    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10577713

> <Analog_DSSTox_Structure_Id>
DTXCID30528484

> <Analog_Original_SMILES>
BrC1=CC(=CC=C1)OC1=CC=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(=CC=C1)OC1=CC=CC=C1Br

> <Analog_CASRN>
147217-72-9

> <Analog_preferred_name>
1-Bromo-2-(3-bromophenoxy)benzene

> <Analog - index>
36|37|29

> <OFR_ID>
26|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-15-4|60348-60-9

> <similarity>
0.82|0.81|0.85

$$$$
DTXSID10583839
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    1.6500   -0.0229    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10583839

> <Analog_DSSTox_Structure_Id>
DTXCID10534604

> <Analog_Original_SMILES>
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br

> <Analog_Canonical_QSARr>
CCCCCCCCBr

> <Analog_CASRN>
126840-36-6

> <Analog_preferred_name>
1-Bromo(~2~H_17_)octane

> <Analog - index>
132|153|153|136|47|41

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID10595614
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    5.0795   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0795    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7940    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2229    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10595614

> <Analog_DSSTox_Structure_Id>
DTXCID00546377

> <Analog_Original_SMILES>
CCCC(Cl)CCCCCl

> <Analog_Canonical_QSARr>
CCCC(Cl)CCCCCl

> <Analog_CASRN>
56375-93-0

> <Analog_preferred_name>
1,5-Dichlorooctane

> <Analog - index>
169|169|114|103

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID10597476
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    4.9842    1.2146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2698   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -0.0229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4132    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10597476

> <Analog_DSSTox_Structure_Id>
DTXCID60548236

> <Analog_Original_SMILES>
CCC(Cl)CCCCCl

> <Analog_Canonical_QSARr>
CCC(Cl)CCCCCl

> <Analog_CASRN>
56375-90-7

> <Analog_preferred_name>
1,5-Dichloroheptane

> <Analog - index>
222|219

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID10598706
  Mrv1813 07271812462D          

 17 19  0  0  0  0            999 V2000
    5.3451    1.4315    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3451    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6306    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9161    0.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0747    1.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6306   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3451   -1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7740    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2030   -1.0435    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7740   -1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10598706

> <Analog_DSSTox_Structure_Id>
DTXCID60549465

> <Analog_Original_SMILES>
BrC1=CC2C=CC(OCC3CO3)=C(Br)C=2C=C1

> <Analog_Canonical_QSARr>
BrC1=CC2C=CC(OCC3CO3)=C(Br)C=2C=C1

> <Analog_CASRN>
61396-66-5

> <Analog_preferred_name>
2-{[(1,6-Dibromonaphthalen-2-yl)oxy]methyl}oxirane

> <Analog - index>
2

> <OFR_ID>
148

> <OFR_DTXSID>
DTXSID40864926

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
20217-01-0

> <similarity>
0.8441558441558441

$$$$
DTXSID10603309
  Mrv1813 07271812462D          

  8  8  0  0  0  0            999 V2000
    3.0320    1.6660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0320    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175   -0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849   -0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10603309

> <Analog_DSSTox_Structure_Id>
DTXCID30554066

> <Analog_Original_SMILES>
ClCCC1CCCC1

> <Analog_Canonical_QSARr>
ClCCC1CCCC1

> <Analog_CASRN>
84226-36-8

> <Analog_preferred_name>
(2-Chloroethyl)cyclopentane

> <Analog - index>
223|220

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID10610578
  Mrv1813 07271812462D          

 27 31  0  0  0  0            999 V2000
    3.8492   -3.7124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9926   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9926   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 14 19  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 10 21  1  0  0  0  0
 22  9  1  0  0  0  0
 22 23  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 22  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10610578

> <Analog_DSSTox_Structure_Id>
DTXCID50561333

> <Analog_Original_SMILES>
BrC1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1C=CC(=CC=1)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1C=CC(=CC=1)C1C=CC=CC=1

> <Analog_CASRN>
400607-05-8

> <Analog_preferred_name>
9-([1,1'-Biphenyl]-4-yl)-10-bromoanthracene

> <Analog - index>
36

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8021978021978022

$$$$
DTXSID1061318
  Mrv1813 07271812442D          

 11 13  0  0  0  0            999 V2000
    0.2556   -2.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7266   -2.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761   -0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050   -0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -1.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
 10  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  8  9  1  0  0  0  0
  7  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1061318

> <Analog_DSSTox_Structure_Id>
DTXCID3048869

> <Analog_Original_SMILES>
ClC12CC3CC(C1)CC(C2)C3

> <Analog_Canonical_QSARr>
ClC12CC3CC(C1)CC(C2)C3

> <Analog_CASRN>
935-56-8

> <Analog_preferred_name>
Tricyclo[3.3.1.13,7]decane, 1-chloro-

> <Analog - index>
170|170|115|104

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID10616378
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    3.7932   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10616378

> <Analog_DSSTox_Structure_Id>
DTXCID50567133

> <Analog_Original_SMILES>
CC(Cl)CC(Cl)CC(C)Cl

> <Analog_Canonical_QSARr>
CC(Cl)CC(Cl)CC(C)Cl

> <Analog_CASRN>
13049-21-3

> <Analog_preferred_name>
2,4,6-Trichloroheptane

> <Analog - index>
224

> <OFR_ID>
67

> <OFR_DTXSID>
DTXSID10872457

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
NOCAS_872457

> <similarity>
0.8648648648648649

$$$$
DTXSID10622777
  Mrv1813 07271812472D          

 27 31  0  0  0  0            999 V2000
    3.8492   -4.2319    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -3.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -2.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -0.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9927    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9927   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782   -0.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    1.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    2.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    3.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    2.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    1.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203   -0.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -2.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 14 19  1  0  0  0  0
 20 13  1  0  0  0  0
 20 21  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 26  5  1  0  0  0  0
 27 26  2  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10622777

> <Analog_DSSTox_Structure_Id>
DTXCID90573531

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1C=CC=CC=1

> <Analog_CASRN>
625854-02-6

> <Analog_preferred_name>
9-(4-Bromophenyl)-10-phenylanthracene

> <Analog - index>
25

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8181818181818182

$$$$
DTXSID1062386
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    0.8566    1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566    2.1882    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1062386

> <Analog_DSSTox_Structure_Id>
DTXCID8036994

> <Analog_Original_SMILES>
BrC1CCCCCC1

> <Analog_Canonical_QSARr>
BrC1CCCCCC1

> <Analog_CASRN>
2404-35-5

> <Analog_preferred_name>
Cycloheptane, bromo-

> <Analog - index>
198|206|206|207|208|203

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID10627969
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    2.8840   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5985   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5985   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10627969

> <Analog_DSSTox_Structure_Id>
DTXCID30578722

> <Analog_Original_SMILES>
CCCCC1CCC(Br)CC1

> <Analog_Canonical_QSARr>
CCCCC1CCC(Br)CC1

> <Analog_CASRN>
179245-36-4

> <Analog_preferred_name>
1-Bromo-4-butylcyclohexane

> <Analog - index>
36|55|55|40|91|89

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID10633383
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    3.2862    0.6287    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    2.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10633383

> <Analog_DSSTox_Structure_Id>
DTXCID20584135

> <Analog_Original_SMILES>
CCCC1(Br)CCCCC1

> <Analog_Canonical_QSARr>
CCCC1(Br)CCCCC1

> <Analog_CASRN>
63399-53-1

> <Analog_preferred_name>
1-Bromo-1-propylcyclohexane

> <Analog - index>
187|197|197|194|231

> <OFR_ID>
2|4|19|20|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3194-57-8

> <similarity>
0.868421052631579|0.825|0.825|0.8461538461538461|0.8

$$$$
DTXSID10655207
  Mrv1813 07271812472D          

  9  9  0  0  0  0            999 V2000
    2.7224    1.8164    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598   -0.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743   -1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -0.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9440    1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10655207

> <Analog_DSSTox_Structure_Id>
DTXCID40605957

> <Analog_Original_SMILES>
CC1(CBr)CCCCC1

> <Analog_Canonical_QSARr>
CC1(CBr)CCCCC1

> <Analog_CASRN>
408307-48-2

> <Analog_preferred_name>
1-(Bromomethyl)-1-methylcyclohexane

> <Analog - index>
239

> <OFR_ID>
2

> <OFR_DTXSID>
DTXSID70180181

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-

> <OFR_CASRN>
25495-98-1

> <similarity>
0.8157894736842105

$$$$
DTXSID1066946
  Mrv1813 07271812442D          

 13 13  0  0  0  0            999 V2000
    1.3740    1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    2.2529    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839   -0.2221    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740   -0.2221    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    2.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    3.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1066946

> <Analog_DSSTox_Structure_Id>
DTXCID4036982

> <Analog_Original_SMILES>
OCCOC1C(Br)=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
OCCOC1C(Br)=CC(Br)=CC=1Br

> <Analog_CASRN>
23976-66-1

> <Analog_preferred_name>
Ethanol, 2-(2,4,6-tribromophenoxy)-

> <Analog - index>
1

> <OFR_ID>
59

> <OFR_DTXSID>
DTXSID1024627

> <OFR_PREFERRED_NAME>
1,2-BIS(2,4,6-TRIBROMOPHENOXY)ETHANE

> <OFR_CASRN>
37853-59-1

> <similarity>
0.839622641509434

$$$$
DTXSID10675900
  Mrv1813 07271812472D          

 31 36  0  0  0  0            999 V2000
    3.1965    1.2930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9119    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5089   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109   -1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6845   -1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968   -1.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2211   -0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8314    0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6843   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5789   -1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8161   -1.8739    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6048   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1132   -0.7731    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8747    0.1950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2276    0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0982    1.4465    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0135    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6555    0.9095    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1892   -0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0149   -0.7385    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1827   -1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -1.8311    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3914   -0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -0.8313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0547   -0.0337    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989   -0.4717    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0919    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770    1.0733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 13  1  0  0  0  0
 16  9  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 10  1  0  0  0  0
  6 22  1  0  0  0  0
 23  4  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25  2  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 30 28  2  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10675900

> <Analog_DSSTox_Structure_Id>
DTXCID60626649

> <Analog_Original_SMILES>
ClC12C3CC4CC5C(CC4C3C(Cl)(C(Cl)=C1Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C5(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
ClC12C3CC4CC5C(CC4C3C(Cl)(C(Cl)=C1Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C5(Cl)C1(Cl)Cl

> <Analog_CASRN>
58910-85-3

> <Analog_preferred_name>
1,2,3,4,6,7,8,9,12,12,13,13-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1H-1,4:6,9-dimethanobenzo[b]fluorene

> <Analog - index>
1|0|0

> <OFR_ID>
48|71|77

> <OFR_DTXSID>
DTXSID80866227|-|DTXSID7027750

> <OFR_PREFERRED_NAME>
Hexachlorocyclopentadienyl-dibromocyclooctane|1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
51936-55-1|-|13560-89-9

> <similarity>
0.84251968503937|0.9819819819819819|1.0

$$$$
DTXSID10682174
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    2.3094   -1.5548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3094   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7384   -0.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4529   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8818   -0.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094    0.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8805    0.9202    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10682174

> <Analog_DSSTox_Structure_Id>
DTXCID20632923

> <Analog_Original_SMILES>
COCCOC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
COCCOC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
1257665-05-6

> <Analog_preferred_name>
2,4-Dibromo-1-(2-methoxyethoxy)benzene

> <Analog - index>
2|3

> <OFR_ID>
59|148

> <OFR_DTXSID>
DTXSID1024627|DTXSID40864926

> <OFR_PREFERRED_NAME>
1,2-BIS(2,4,6-TRIBROMOPHENOXY)ETHANE|?

> <OFR_CASRN>
37853-59-1|20217-01-0

> <similarity>
0.8103448275862069|0.8308823529411765

$$$$
DTXSID10697804
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    9.5086    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2231   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10697804

> <Analog_DSSTox_Structure_Id>
DTXCID10648553

> <Analog_Original_SMILES>
ClC(CCCCCCCCC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(CCCCCCCCC(Cl)CCl)CCl

> <Analog_CASRN>
210115-98-3

> <Analog_preferred_name>
1,2,11,12-Tetrachlorododecane

> <Analog - index>
50|50|86|74

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID10697829
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    7.6953    1.2851    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6953    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2663    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5519    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6940    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4097    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    0.4601    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10697829

> <Analog_DSSTox_Structure_Id>
DTXCID10648578

> <Analog_Original_SMILES>
CCCCCCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCCCCCC(Cl)CCl

> <Analog_CASRN>
81246-86-8

> <Analog_preferred_name>
1,2-Dichloroundecane

> <Analog - index>
51|51|87|75

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID10699601
  Mrv1813 07271812472D          

 19 18  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9217    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0967   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10699601

> <Analog_DSSTox_Structure_Id>
DTXCID30650350

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)CCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)CCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
601523-25-5

> <Analog_preferred_name>
1,1,1,3,9,11,11,11-Octachloroundecane

> <Analog - index>
35|35|4|65

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9736842105263158|0.9230769230769231

$$$$
DTXSID10702523
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    5.6511    1.1963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    0.3713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0800    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10702523

> <Analog_DSSTox_Structure_Id>
DTXCID40653271

> <Analog_Original_SMILES>
CCC(Cl)CCCCCCl

> <Analog_Canonical_QSARr>
CCC(Cl)CCCCCCl

> <Analog_CASRN>
56375-94-1

> <Analog_preferred_name>
1,6-Dichlorooctane

> <Analog - index>
97|97|168|166

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8947368421052632|0.8947368421052632

$$$$
DTXSID10704805
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    5.9371   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2226   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2226   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  5 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10704805

> <Analog_DSSTox_Structure_Id>
DTXCID40655553

> <Analog_Original_SMILES>
BrC1C=C(Br)C(OC2C=C(Br)C(Br)=C(Br)C=2)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(OC2C=C(Br)C(Br)=C(Br)C=2)=C(Br)C=1Br

> <Analog_CASRN>
446255-30-7

> <Analog_preferred_name>
1,2,3,5-Tetrabromo-4-(3,4,5-tribromophenoxy)benzene

> <Analog - index>
6|11|7|10|4|22|13|23

> <OFR_ID>
24|26|27|30|31|35|36|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|41318-75-6

> <similarity>
0.8571428571428571|0.925531914893617|0.9354838709677419|0.9148936170212766|0.9354838709677419|0.8|0.9166666666666666|0.8

$$$$
DTXSID1071404
  Mrv1813 07271812442D          

 26 27  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19  3  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  2  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1071404

> <Analog_DSSTox_Structure_Id>
DTXCID8045856

> <Analog_Original_SMILES>
ClC1C(OCCOC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
ClC1C(OCCOC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
68299-27-4

> <Analog_preferred_name>
1-Pentabromophenoxy-2-tetrabromochlorophenoxyethane

> <Analog - index>
0

> <OFR_ID>
57

> <OFR_DTXSID>
DTXSID60886428

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
61262-53-1

> <similarity>
0.8823529411764706

$$$$
DTXSID10738281
  Mrv1813 07271812472D          

 14 15  0  0  0  0            999 V2000
    7.2189   -0.2002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3939   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0359    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2316    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866    0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019   -0.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019    0.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2545    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2316   -1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0359   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10738281

> <Analog_DSSTox_Structure_Id>
DTXCID90689025

> <Analog_Original_SMILES>
CCCC1CC2CCC(Cl)CCC2C1

> <Analog_Canonical_QSARr>
CCCC1CC2CCC(Cl)CCC2C1

> <Analog_CASRN>
917884-27-6

> <Analog_preferred_name>
6-Chloro-2-propyldecahydroazulene

> <Analog - index>
98|98|35|21

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID10745935
  Mrv1813 07271812472D          

  9  8  0  0  0  0            999 V2000
    1.6500    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10745935

> <Analog_DSSTox_Structure_Id>
DTXCID50696679

> <Analog_Original_SMILES>
Br[13CH2][13CH2]CCC[13CH2][13CH2]Br

> <Analog_Canonical_QSARr>
BrCCCCCCCBr

> <Analog_CASRN>
1173019-50-5

> <Analog_preferred_name>
1,7-Dibromo(1,2,6,7-~13~C_4_)heptane

> <Analog - index>
233|195|196|232

> <OFR_ID>
2|20|128|129

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.8461538461538461|0.825|0.8

$$$$
DTXSID1074753
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    0.5240   -1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1905   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1905    0.1100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050   -1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050   -1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194   -2.3650    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1905   -2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529   -1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3819    0.5225    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9529    0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID1074753

> <Analog_DSSTox_Structure_Id>
DTXCID7044269

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(C=C1)C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(C=C1)C1C=CC(Br)=CC=1

> <Analog_CASRN>
6430-90-6

> <Analog_preferred_name>
1,1'-Biphenyl, 2,4,4'-tribromo-

> <Analog - index>
53|63|65|8

> <OFR_ID>
29|33|43|45

> <OFR_DTXSID>
DTXSID70858838|DTXSID9074771|DTXSID80151024|DTXSID1059072

> <OFR_PREFERRED_NAME>
2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?

> <OFR_CASRN>
59080-40-9|59080-39-6|115245-07-3|92-86-4

> <similarity>
0.8080808080808081|0.8181818181818182|0.801980198019802|0.8414634146341463

$$$$
DTXSID10750524
  Mrv1813 07271812472D          

 18 20  0  0  0  0            999 V2000
    2.6754    0.9630    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129   -1.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004   -1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6754   -1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629   -1.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6754   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0254   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -1.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379   -1.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1504   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129    1.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    2.3919    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
  8 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
  3 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10750524

> <Analog_DSSTox_Structure_Id>
DTXCID60701268

> <Analog_Original_SMILES>
BrCC(Br)C1=CC=CC2C=CC3=CC=CC=C3C=21

> <Analog_Canonical_QSARr>
BrCC(Br)C1=CC=CC2C=CC3=CC=CC=C3C=21

> <Analog_CASRN>
88916-62-5

> <Analog_preferred_name>
4-(1,2-Dibromoethyl)phenanthrene

> <Analog - index>
1

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8924731182795699

$$$$
DTXSID10750640
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    6.3151    1.0501    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3151    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6006   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    1.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5842    2.1771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7592    0.7482    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4572    1.8751    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0296   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7440    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4585   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10750640

> <Analog_DSSTox_Structure_Id>
DTXCID60701384

> <Analog_Original_SMILES>
CCCCC(CC(Cl)CCCC)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCC(CC(Cl)CCCC)CC(Cl)(Cl)Cl

> <Analog_CASRN>
88938-19-6

> <Analog_preferred_name>
5-Chloro-7-(2,2,2-trichloroethyl)undecane

> <Analog - index>
144|144|88|76

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID10768725
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    5.2224   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10768725

> <Analog_DSSTox_Structure_Id>
DTXCID00719468

> <Analog_Original_SMILES>
ClC(CC(Cl)CCCl)CCCl

> <Analog_Canonical_QSARr>
ClC(CC(Cl)CCCl)CCCl

> <Analog_CASRN>
138107-24-1

> <Analog_preferred_name>
1,3,5,7-Tetrachloroheptane

> <Analog - index>
171|171|116|211

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.868421052631579

$$$$
DTXSID10768765
  Mrv1813 07271812472D          

 11 12  0  0  0  0            999 V2000
    3.4687    1.5588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    0.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    0.8444    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4687    0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562   -0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937    0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10768765

> <Analog_DSSTox_Structure_Id>
DTXCID40719508

> <Analog_Original_SMILES>
ClC(Cl)C1CCCCC21CC2

> <Analog_Canonical_QSARr>
ClC(Cl)C1CCCCC21CC2

> <Analog_CASRN>
138153-59-0

> <Analog_preferred_name>
4-(Dichloromethyl)spiro[2.5]octane

> <Analog - index>
145|145|89|77

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID10782289
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    4.1795    0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5920   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0045   -0.9207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3065    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0210   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7354    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4499   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1644    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5933    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0222    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7367   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631   -1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4650    0.0957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2900   -1.3332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10782289

> <Analog_DSSTox_Structure_Id>
DTXCID90733032

> <Analog_Original_SMILES>
CCCCCCCCCCC(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
214327-67-0

> <Analog_preferred_name>
1,1,1,2,2-Pentachlorododecane

> <Analog - index>
146|146|204|206

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.8717948717948718|0.8717948717948718

$$$$
DTXSID10791891
  Mrv1813 07271812472D          

 29 30  0  0  0  0            999 V2000
    3.5964    1.1237    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5964    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904    0.2987    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -0.9388    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8819   -0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -1.3513    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5964   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3109   -0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0254   -1.3513    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7398   -0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1688   -0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8832   -1.3513    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1688   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8832    0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3122    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0267   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    0.2987    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.0267   -0.9388    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4543    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543    1.1237    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7398   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3109   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 19  1  0  0  0  0
 26 27  1  0  0  0  0
 28 26  2  0  0  0  0
 15 28  1  0  0  0  0
 29 13  2  0  0  0  0
  2 29  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10791891

> <Analog_DSSTox_Structure_Id>
DTXCID40742634

> <Analog_Original_SMILES>
BrC1C=C(C=C(Br)C=1OCCC(Br)Br)SC1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1

> <Analog_Canonical_QSARr>
BrC1C=C(C=C(Br)C=1OCCC(Br)Br)SC1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1

> <Analog_CASRN>
66989-31-9

> <Analog_preferred_name>
1,1'-Sulfanediylbis[3,5-dibromo-4-(3,3-dibromopropoxy)benzene]

> <Analog - index>
3

> <OFR_ID>
78

> <OFR_DTXSID>
DTXSID5044942

> <OFR_PREFERRED_NAME>
1,1'-SULFONYLBIS[3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)BENZENE]

> <OFR_CASRN>
42757-55-1

> <similarity>
0.8630952380952381

$$$$
DTXSID10792782
  Mrv1813 07271812432D          

 11 10  0  0  0  0            999 V2000
    4.4584    2.1344    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0459    1.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    1.8324    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    1.0074    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0459   -0.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334   -0.7235    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.0459   -1.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334   -2.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0459   -2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -0.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  CHG  1   7   1
M  END
> <Analog_dsstox_substance_id>
DTXSID10792782

> <Analog_DSSTox_Structure_Id>
DTXCID40743525

> <Analog_Original_SMILES>
CCO[P+](=O)OCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCO[P+](=O)OCC(Cl)(Cl)Cl

> <Analog_CASRN>
66116-52-7

> <Analog_preferred_name>
Ethoxy(oxo)(2,2,2-trichloroethoxy)phosphanium

> <Analog - index>
7|12|12

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.9183673469387755|0.8333333333333334|0.8490566037735849

$$$$
DTXSID10793835
  Mrv1813 07271812472D          

 20 20  0  0  0  0            999 V2000
    3.7023    1.5748    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9965    0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7045    1.2277    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718    0.7788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    1.4731    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9164   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253    0.3192    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    0.0276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1062   -0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362   -1.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3763   -1.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4565   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2666   -0.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794   -1.4240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0812   -0.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5366    0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3251   -0.0622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1787    0.6984    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 15  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10793835

> <Analog_DSSTox_Structure_Id>
DTXCID00744578

> <Analog_Original_SMILES>
ClC1(Cl)CCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)CCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl

> <Analog_CASRN>
65155-56-8

> <Analog_preferred_name>
1,1,2,2,3,3,4,4,5,5-Decachlorocyclodecane

> <Analog - index>
17|17|147|136

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.9|0.9

$$$$
DTXSID10803261
  Mrv1813 07271812482D          

  3  2  0  0  0  0            999 V2000
    0.4429    2.8667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1574    2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10803261

> <Analog_DSSTox_Structure_Id>
DTXCID30754004

> <Analog_Original_SMILES>
[Ag+].CCBr

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
63882-54-2

> <Analog_preferred_name>
PUBCHEM_71380766

> <Analog - index>
8|9

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID10806313
  Mrv1813 07271812472D          

 12 13  0  0  0  0            999 V2000
    3.7397    1.4065    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3717    0.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0037    1.4065    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9592    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7053    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8323   -0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591   -1.6410    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -1.6410    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7842    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4987   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11  4  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10806313

> <Analog_DSSTox_Structure_Id>
DTXCID90757056

> <Analog_Original_SMILES>
CC1C(C2C(C)C2(Br)Br)C1(Br)Br

> <Analog_Canonical_QSARr>
CC1C(C2C(C)C2(Br)Br)C1(Br)Br

> <Analog_CASRN>
62667-96-3

> <Analog_preferred_name>
2,2,2',2'-Tetrabromo-3,3'-dimethyl-1,1'-bi(cyclopropane)

> <Analog - index>
227|14|14|189|10|4

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8292682926829268|0.925|0.925|0.8536585365853658|0.925|0.9487179487179487

$$$$
DTXSID10810778
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    3.5872   -2.9591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122   -2.1341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7622   -2.1341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -0.0716    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267   -0.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5392   -0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267   -1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3642   -0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017    0.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0161    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0161    1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0161    2.8159    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8411    1.9909    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1911    1.9909    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4767   -0.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  7 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10810778

> <Analog_DSSTox_Structure_Id>
DTXCID80761521

> <Analog_Original_SMILES>
CC(C)OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CC(C)OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

> <Analog_CASRN>
62217-76-9

> <Analog_preferred_name>
Propan-2-yl bis(2,2,2-trichloroethyl) phosphate

> <Analog - index>
13|3|3

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8846153846153846|0.9074074074074074|0.9245283018867925

$$$$
DTXSID10813668
  Mrv1813 07271812472D          

 13 14  0  0  0  0            999 V2000
    1.1367   -0.3979    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6670    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1367    0.8661    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3815   -0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3815    0.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649    1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    0.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732   -0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.0351    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7857   -0.8928    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7899   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10813668

> <Analog_DSSTox_Structure_Id>
DTXCID20764410

> <Analog_Original_SMILES>
BrC1(Br)CCCC2C(CC1)C2(Br)Br

> <Analog_Canonical_QSARr>
BrC1(Br)CCCC2C(CC1)C2(Br)Br

> <Analog_CASRN>
61832-86-8

> <Analog_preferred_name>
4,4,9,9-Tetrabromobicyclo[6.1.0]nonane

> <Analog - index>
183|8|8|5|7|23

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8780487804878049|0.926829268292683|0.926829268292683|0.95|0.926829268292683|0.9024390243902439

$$$$
DTXSID10850932
  Mrv1813 07271812472D          

 29 30  0  0  0  0            999 V2000
    4.5078   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
 21  4  2  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  2  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10850932

> <Analog_DSSTox_Structure_Id>
DTXCID80801673

> <Analog_Original_SMILES>
CC(C)(C1=CC(Br)=C(OCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCC(Br)Br)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Br)=C(OCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCC(Br)Br)C(Br)=C1

> <Analog_CASRN>
52871-10-0

> <Analog_preferred_name>
1,1'-(Propane-2,2-diyl)bis[3,5-dibromo-4-(2,2-dibromoethoxy)benzene]

> <Analog - index>
2|1|2

> <OFR_ID>
83|86|89

> <OFR_DTXSID>
DTXSID4038922|DTXSID2029327|DTXSID3032129

> <OFR_PREFERRED_NAME>
ETHANOL, 2,2'-((1-METHYLETHYLIDENE)BIS((2,6-DIBROMO-4,1-PHENYLENE)OXY))BIS-|BENZENE, 1,1'-(1-METHYLETHYLIDENE)BIS[3,5-DIBROMO-4-(2-PROPENYLOXY)-|2,2',3,3'-TETRABROMOBISPHENOL A

> <OFR_CASRN>
4162-45-2|25327-89-3|21850-44-2

> <similarity>
0.8424242424242424|0.8333333333333334|0.8764705882352941

$$$$
DTXSID10853483
  Mrv1813 07271812442D          

 13 12  0  0  0  0            999 V2000
   -4.2868    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.3808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10853483

> <Analog_DSSTox_Structure_Id>
DTXCID20804224

> <Analog_Original_SMILES>
[Zn].[CH2-]CCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCl

> <Analog_CASRN>
56354-95-1

> <Analog_preferred_name>
PUBCHEM_71444725

> <Analog - index>
99|99|36|22

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID10855048
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    5.6193   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9048   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7614    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7614    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0470    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7614    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7614   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9048   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10855048

> <Analog_DSSTox_Structure_Id>
DTXCID50805789

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1OC1C=CC=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1OC1C=CC=C(Br)C=1Br

> <Analog_CASRN>
38463-82-0

> <Analog_preferred_name>
1,3,5-Tribromo-2-(2,3-dibromophenoxy)benzene

> <Analog - index>
15|16|18|10|8|11|14|17

> <OFR_ID>
26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.9081632653061225|0.8787878787878788|0.86|0.9175257731958762|0.84375|0.9191919191919192|0.8350515463917526|0.8247422680412371

$$$$
DTXSID10858938
  Mrv1813 07271812472D          

 18 20  0  0  0  0            999 V2000
   -0.6723   -0.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8251   -0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937   -1.3911    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0397    0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   -0.5553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3879    1.1258    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8418    1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969    1.9631    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1232    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588    0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1505    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677    0.8044    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840   -0.1964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5521    0.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209    1.0833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5437   -0.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110   -0.5584    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15  8  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10858938

> <Analog_DSSTox_Structure_Id>
DTXCID10811528

> <Analog_Original_SMILES>
ClC1(Cl)CC2C(C1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)CC2C(C1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_CASRN>
5566-34-7

> <Analog_preferred_name>
2,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene

> <Analog - index>
5|3|3

> <OFR_ID>
48|71|77

> <OFR_DTXSID>
DTXSID80866227|-|DTXSID7027750

> <OFR_PREFERRED_NAME>
Hexachlorocyclopentadienyl-dibromocyclooctane|1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
51936-55-1|-|13560-89-9

> <similarity>
0.823076923076923|0.9734513274336283|0.9732142857142857

$$$$
DTXSID10865985
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    3.1258   -4.5890    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -4.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -3.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -2.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -2.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -1.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.4640    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -1.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -2.1140    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -3.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -4.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -4.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -5.4140    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10865985

> <Analog_DSSTox_Structure_Id>
DTXCID90814330

> <Analog_Original_SMILES>
BrC1C=CC=C(C2C=C(Br)C(Br)=CC=2)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC=C(C2C=C(Br)C(Br)=CC=2)C=1Br

> <Analog_CASRN>
NOCAS_865985

> <Analog_preferred_name>
CERAPP_40110

> <Analog - index>
35|29|9|23|32|19|14|16

> <OFR_ID>
25|29|32|33|37|39|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|DTXSID4074770|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|77102-82-0|-|115245-07-3

> <similarity>
0.8761904761904762|0.8857142857142857|0.9528301886792453|0.8773584905660378|0.839622641509434|0.8118811881188119|0.9339622641509434|0.9142857142857143

$$$$
DTXSID10872639
  Mrv1813 07271812472D          

 25 24  0  0  0  0            999 V2000
   -7.8592   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7322   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5572    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10872639

> <Analog_DSSTox_Structure_Id>
DTXCID40820289

> <Analog_Original_SMILES>
ClCCCCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_CASRN>
102444-85-9

> <Analog_preferred_name>
1,1,1,21-Tetrachlorohenicosane

> <Analog - index>
147|147|90|78

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID10872654
  Mrv1813 07271812472D          

 20 19  0  0  0  0            999 V2000
   -6.4302   -0.1238    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157   -1.3613    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10872654

> <Analog_DSSTox_Structure_Id>
DTXCID80820304

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
62017-20-3

> <Analog_preferred_name>
1,1-Dichlorooctadecane

> <Analog - index>
148|148|91|79

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID10872659
  Mrv1813 07271812472D          

 30 29  0  0  0  0            999 V2000
   -9.0749   -0.4813    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.3604   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6459   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9315   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2170   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5025   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7880   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0736   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3591   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6446   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9302   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2157   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3567   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5001   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2146   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9290   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3580   -0.0688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6435   -1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9290    0.7562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0711    0.7562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2133    0.7562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6446    0.7562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5025    0.7562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
 18 27  1  0  0  0  0
 14 28  1  0  0  0  0
 10 29  1  0  0  0  0
  6 30  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10872659

> <Analog_DSSTox_Structure_Id>
DTXCID80820309

> <Analog_Original_SMILES>
CC(Cl)C(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCCCl

> <Analog_Canonical_QSARr>
CC(Cl)C(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCCCl

> <Analog_CASRN>
1024212-71-2

> <Analog_preferred_name>
1,5,9,13,17,21,22-Heptachlorotricosane

> <Analog - index>
25|25|157|146

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|0.8974358974358975|0.8974358974358975

$$$$
DTXSID10874057
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    0.3788    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763    1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953    1.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7044    0.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186   -0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8048   -1.1650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.4111    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    1.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2734    2.6813    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9691    1.7789    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2755    0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6531    0.4038    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -0.2407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5668    1.4877    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0294    2.3235    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  5  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10874057

> <Analog_DSSTox_Structure_Id>
DTXCID801012191

> <Analog_Original_SMILES>
ClC(Cl)C12CC(Cl)(Cl)C(CC1(Cl)Cl)C2(CCl)CCl

> <Analog_Canonical_QSARr>
ClC(Cl)C12CC(Cl)(Cl)C(CC1(Cl)Cl)C2(CCl)CCl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
18|18|148|137

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.9|0.9

$$$$
DTXSID10875645
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10875645

> <Analog_DSSTox_Structure_Id>
DTXCID901013766

> <Analog_Original_SMILES>
ClC1C(Br)C(Cl)C(Cl)C(Cl)C1Br

> <Analog_Canonical_QSARr>
ClC1C(Br)C(Cl)C(Cl)C(Cl)C1Br

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
4

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8958333333333334

$$$$
DTXSID10875660
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID10875660

> <Analog_DSSTox_Structure_Id>
DTXCID601013781

> <Analog_Original_SMILES>
ClC1CC(Cl)C(Cl)CC1Cl

> <Analog_Canonical_QSARr>
ClC1CC(Cl)C(Cl)CC1Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
221|221

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID20152373
  Mrv1813 07271812442D          

 20 21  0  0  0  0            999 V2000
    4.3649    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6505   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6505   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20152373

> <Analog_DSSTox_Structure_Id>
DTXCID3074864

> <Analog_Original_SMILES>
BrC1C(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C(Br)=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C(Br)=CC=1Br

> <Analog_CASRN>
119264-60-7

> <Analog_preferred_name>
2,2',3,3',4,5',6,6'-Octabromobiphenyl

> <Analog - index>
61

> <OFR_ID>
32

> <OFR_DTXSID>
DTXSID50218113

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
67888-96-4

> <similarity>
0.8018867924528302

$$$$
DTXSID20176236
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    5.9369   -2.0601    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.8899    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.4149    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.0601    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  6 14  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20176236

> <Analog_DSSTox_Structure_Id>
DTXCID9098727

> <Analog_Original_SMILES>
OC1C(Br)=CC(CC2=CC(Br)=C(O)C(Br)=C2)=CC=1Br

> <Analog_Canonical_QSARr>
OC1C(Br)=CC(CC2=CC(Br)=C(O)C(Br)=C2)=CC=1Br

> <Analog_CASRN>
21825-03-6

> <Analog_preferred_name>
4,4'-Methylenebis(2,6-dibromophenol)

> <Analog - index>
2

> <OFR_ID>
60

> <OFR_DTXSID>
DTXSID1026081

> <OFR_PREFERRED_NAME>
4,4'-ISOPROPYLIDENEBIS(2,6-DIBROMOPHENOL)

> <OFR_CASRN>
79-94-7

> <similarity>
0.8157894736842105

$$$$
DTXSID20181401
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    3.0789    1.4437    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20181401

> <Analog_DSSTox_Structure_Id>
DTXCID90103892

> <Analog_Original_SMILES>
ClCC1CCCCC1

> <Analog_Canonical_QSARr>
ClCC1CCCCC1

> <Analog_CASRN>
26895-68-1

> <Analog_preferred_name>
Cyclohexane, chloromethyl-

> <Analog - index>
225|221

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID20191409
  Mrv1813 07271812442D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.3713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.3713    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.1963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.3713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20191409

> <Analog_DSSTox_Structure_Id>
DTXCID80113900

> <Analog_Original_SMILES>
ClP(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
ClP(OCCCl)OCCCl

> <Analog_CASRN>
37984-64-8

> <Analog_preferred_name>
Bis(2-chloroethyl) chlorophosphite

> <Analog - index>
3

> <OFR_ID>
106

> <OFR_DTXSID>
DTXSID0026258

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
140-08-9

> <similarity>
0.875

$$$$
DTXSID20195043
  Mrv1813 07271812442D          

 23 22  0  0  0  0            999 V2000
    1.6490    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3634   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7924   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2213   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9358    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3647    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7937    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5081   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2226    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9371   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6515    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3660   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0805    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7950   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5094    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2239   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9384    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6528   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3673    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20195043

> <Analog_DSSTox_Structure_Id>
DTXCID30117534

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
42217-03-8

> <Analog_preferred_name>
1-Chlorodocosane

> <Analog - index>
100|100|37|23

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID20195609
  Mrv1813 07271812442D          

 13 13  0  0  0  0            999 V2000
    2.4409   -2.0128    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1588   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891   -0.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    0.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891    1.0445    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194    1.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588    1.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746    0.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0318   -1.0943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20195609

> <Analog_DSSTox_Structure_Id>
DTXCID10118100

> <Analog_Original_SMILES>
COP1(=O)OCC(CO1)(CBr)CBr

> <Analog_Canonical_QSARr>
COP1(=O)OCC(CO1)(CBr)CBr

> <Analog_CASRN>
42983-36-8

> <Analog_preferred_name>
5,5-Bis(bromomethyl)-2-methoxy-1,3,2-dioxaphosphorinane 2-oxide

> <Analog - index>
0|2

> <OFR_ID>
65|66

> <OFR_DTXSID>
DTXSID1069455|DTXSID0058691

> <OFR_PREFERRED_NAME>
?|1-PROPANOL, 3-BROMO-2,2-BIS(BROMOMETHYL)-, 1,1',1''-PHOSPHATE

> <OFR_CASRN>
61090-89-9|19186-97-1

> <similarity>
0.8235294117647058|0.8360655737704918

$$$$
DTXSID2020684
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    2.1481   -1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.0029    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7191   -1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0047   -0.8279    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7191   -2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0047   -2.4779    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -2.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -3.3029    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1481   -2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -2.4779    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -0.8279    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2020684

> <Analog_DSSTox_Structure_Id>
DTXCID00196533

> <Analog_Original_SMILES>
Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl |&1:1,2,4,6,8,10|

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>
319-84-6

> <Analog_preferred_name>
alpha-1,2,3,4,5,6-Hexachlorocyclohexane

> <Analog - index>
222|222

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID2020686
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    2.1693   -1.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548   -0.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548   -0.0107    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7403   -1.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258   -0.8357    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7403   -2.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258   -2.4857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4548   -2.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548   -3.3107    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -2.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837   -2.4857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8837   -0.8357    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2020686

> <Analog_DSSTox_Structure_Id>
DTXCID40196532

> <Analog_Original_SMILES>
Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl |&1:1,2,4,6,8,10|

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>
58-89-9

> <Analog_preferred_name>
Lindane

> <Analog - index>
223|223

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID20208167
  Mrv1813 07271812452D          

 22 22  0  0  0  0            999 V2000
    1.4550    1.1625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1695    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -1.3125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3129   -0.4875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3129    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7419    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7419    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4563    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1708    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    1.9875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 14  2  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20208167

> <Analog_DSSTox_Structure_Id>
DTXCID40130658

> <Analog_Original_SMILES>
C=CC(=O)OCC1=C(Br)C(Br)=C(COC(=O)C=C)C(Br)=C1Br

> <Analog_Canonical_QSARr>
C=CC(=O)OCC1=C(Br)C(Br)=C(COC(=O)C=C)C(Br)=C1Br

> <Analog_CASRN>
59447-51-7

> <Analog_preferred_name>
(Tetrabromo-1,4-phenylene)bismethylene diacrylate

> <Analog - index>
0

> <OFR_ID>
7

> <OFR_DTXSID>
DTXSID9052719

> <OFR_PREFERRED_NAME>
(PENTABROMOPHENYL)METHYL ACRYLATE

> <OFR_CASRN>
59447-55-1

> <similarity>
0.875968992248062

$$$$
DTXSID2020896
  Mrv1813 07271812442D          

 21 25  0  0  0  0            999 V2000
    1.0598   -1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045   -1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.7428    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6596   -1.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3902   -0.6301    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7701   -1.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853   -1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140   -2.6972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4135   -0.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8065   -0.4312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0604   -0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.2622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    0.2373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0059   -2.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1906   -2.1564    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6104   -2.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0126   -3.4248    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1475   -3.4824    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2714   -2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -2.9517    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -1.4204    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 14  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  6 19  1  0  0  0  0
 19  2  1  0  0  0  0
 19 20  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2020896

> <Analog_DSSTox_Structure_Id>
DTXCID40896

> <Analog_Original_SMILES>
ClC12C3(Cl)C4C1(Cl)C(Cl)(Cl)C1(Cl)C4(Cl)C(Cl)(C21Cl)C3(Cl)Cl

> <Analog_Canonical_QSARr>
ClC12C3(Cl)C4C1(Cl)C(Cl)(Cl)C1(Cl)C4(Cl)C(Cl)(C21Cl)C3(Cl)Cl

> <Analog_CASRN>
39801-14-4

> <Analog_preferred_name>
Photomirex

> <Analog - index>
204|204

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8292682926829268|0.8292682926829268

$$$$
DTXSID20211111
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    2.4751   -2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20211111

> <Analog_DSSTox_Structure_Id>
DTXCID20133602

> <Analog_Original_SMILES>
CC(C)(C)C1CCC(Cl)CC1

> <Analog_Canonical_QSARr>
CC(C)(C)C1CCC(Cl)CC1

> <Analog_CASRN>
62056-46-6

> <Analog_preferred_name>
1-tert-Butyl-4-chlorocyclohexane

> <Analog - index>
224|224|185|183

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID20215851
  Mrv1813 07271812452D          

 25 26  0  0  0  0            999 V2000
    4.3935   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6791   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1396    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
  6 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
  2 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20215851

> <Analog_DSSTox_Structure_Id>
DTXCID50138342

> <Analog_Original_SMILES>
CC(C)(C1=CC(Br)=C(C=C1)OCCO)C1=CC(Br)=C(C=C1)OCCO

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Br)=C(C=C1)OCCO)C1=CC(Br)=C(C=C1)OCCO

> <Analog_CASRN>
65581-15-9

> <Analog_preferred_name>
2,2'-((1-Methylethylidene)bis((2-bromo-4,1-phenylene)oxy))bisethanol

> <Analog - index>
0

> <OFR_ID>
83

> <OFR_DTXSID>
DTXSID4038922

> <OFR_PREFERRED_NAME>
ETHANOL, 2,2'-((1-METHYLETHYLIDENE)BIS((2,6-DIBROMO-4,1-PHENYLENE)OXY))BIS-

> <OFR_CASRN>
4162-45-2

> <similarity>
0.8793103448275862

$$$$
DTXSID20219339
  Mrv1813 07271812452D          

 20 21  0  0  0  0            999 V2000
    4.3649   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
  2 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20219339

> <Analog_DSSTox_Structure_Id>
DTXCID90141830

> <Analog_Original_SMILES>
BrC1C=C(C2=C(Br)C(Br)=C(Br)C=C2Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2=C(Br)C(Br)=C(Br)C=C2Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
69278-61-1

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',4,4',5,6'-octabromo-

> <Analog - index>
7|2|5|35|36|26|43|51|5

> <OFR_ID>
23|25|29|32|33|34|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|-|115245-07-3|69278-62-2

> <similarity>
0.8526315789473684|0.9791666666666666|0.9690721649484536|0.8867924528301887|0.8640776699029126|0.8061224489795918|0.8679245283018868|0.8301886792452831|0.8617021276595744

$$$$
DTXSID20231112
  Mrv1813 07271812452D          

 20 24  0  0  0  0            999 V2000
    1.9603    0.3545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6838    0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4242    0.8431    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3389    0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695    0.9558    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4494   -0.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4646   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933   -1.1113    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0928    0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    1.1548    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7398    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7642    1.9503    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6852   -0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8699   -0.5704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2897   -1.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2479   -2.0942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9507   -0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106   -1.3658    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1841    0.1655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 18  1  0  0  0  0
 18  3  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20231112

> <Analog_DSSTox_Structure_Id>
DTXCID20153603

> <Analog_Original_SMILES>
ClC12C(Cl)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C(Cl)C4(Cl)C3(Cl)C12Cl

> <Analog_Canonical_QSARr>
ClC12C(Cl)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C(Cl)C4(Cl)C3(Cl)C12Cl

> <Analog_CASRN>
81446-82-4

> <Analog_preferred_name>
1,3,4-Metheno-1H-cyclobuta(cd)pentalene, 1,1a,2,3,3a,4,5,5a,5b,6-decachlorooctahydro-, cis-

> <Analog - index>
52|52

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.9|0.9

$$$$
DTXSID20239350
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.3490   -0.7333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    0.0917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    1.7417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.0917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -0.7333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -3.2083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20239350

> <Analog_DSSTox_Structure_Id>
DTXCID40161841

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2C(Br)=C(Br)C=CC=2Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2C(Br)=C(Br)C=CC=2Br)=C(Br)C=1

> <Analog_CASRN>
93261-83-7

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4',6,6'-hexabromo-

> <Analog - index>
51|40|47|53

> <OFR_ID>
32|33|37|40

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-

> <similarity>
0.8301886792452831|0.86|0.801980198019802|0.8285714285714286

$$$$
DTXSID20242324
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.3397   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  3  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
  2 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20242324

> <Analog_DSSTox_Structure_Id>
DTXCID20164815

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1=CC(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1=CC(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
96551-70-1

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,4,4',5-pentabromo-

> <Analog - index>
11|12|36|37|6|10|36|21

> <OFR_ID>
25|29|32|33|34|39|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID4074770|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|77102-82-0|-|115245-07-3

> <similarity>
0.9387755102040817|0.9292929292929293|0.8867924528301887|0.8640776699029126|0.8631578947368421|0.8333333333333334|0.8857142857142857|0.9019607843137255

$$$$
DTXSID20275011
  Mrv1813 07271812452D          

 10 10  0  0  0  0            999 V2000
    4.0791    0.6600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3647    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6502    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6502    1.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9357    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9357   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6502   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6502   -1.8150    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3647   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0791   -0.9900    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20275011

> <Analog_DSSTox_Structure_Id>
DTXCID00226460

> <Analog_Original_SMILES>
OC1C=CC(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
OC1C=CC(Br)=C(Br)C=1Br

> <Analog_CASRN>
138507-65-0

> <Analog_preferred_name>
Phenol, tribromo-

> <Analog - index>
5

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8548387096774194

$$$$
DTXSID20280721
  Mrv1813 07271812452D          

 16 18  0  0  0  0            999 V2000
    3.6140    1.7245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6140    0.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285    0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285   -0.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1131   -0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1131    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680    1.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680   -1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -1.5755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4077    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850   -0.7505    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850    0.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  2  0  0  0  0
  5  9  2  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20280721

> <Analog_DSSTox_Structure_Id>
DTXCID80231875

> <Analog_Original_SMILES>
O=C1OC(=O)C2C1C1(Cl)CC2(Cl)C(Cl)=C1Cl

> <Analog_Canonical_QSARr>
O=C1OC(=O)C2C1C1(Cl)CC2(Cl)C(Cl)=C1Cl

> <Analog_CASRN>
19931-26-1

> <Analog_preferred_name>
4,5,6,7-tetrachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione

> <Analog - index>
1

> <OFR_ID>
142

> <OFR_DTXSID>
DTXSID2026941

> <OFR_PREFERRED_NAME>
HEXACHLORO ENDOMETHYLENE TETRAHYDROPHTHALIC ANHYDRIDE

> <OFR_CASRN>
115-27-5

> <similarity>
0.8942307692307693

$$$$
DTXSID20282785
  Mrv1813 07271812452D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20282785

> <Analog_DSSTox_Structure_Id>
DTXCID40233936

> <Analog_Original_SMILES>
CC(C)CC(C)CCCBr

> <Analog_Canonical_QSARr>
CC(C)CC(C)CCCBr

> <Analog_CASRN>
5470-78-0

> <Analog_preferred_name>
1-bromo-4,6-dimethylheptane

> <Analog - index>
199|207|207|208|209|204

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID20284567
  Mrv1813 07271812452D          

 19 20  0  0  0  0            999 V2000
    4.1741    1.5303    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2637    0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0778    0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7883    0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4427    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0870    0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7199    0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4984    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1327   -0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664   -1.8429    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1036   -0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3198   -0.2893    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9618   -0.1137    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6190   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535   -1.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890    0.6262    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13  2  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20284567

> <Analog_DSSTox_Structure_Id>
DTXCID40235718

> <Analog_Original_SMILES>
CCCCCCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_CASRN>
91820-76-7

> <Analog_preferred_name>
1,2,3,4,7,7-hexachloro-5-hexylbicyclo[2.2.1]hept-2-ene

> <Analog - index>
4|5|5

> <OFR_ID>
48|71|77

> <OFR_DTXSID>
DTXSID80866227|-|DTXSID7027750

> <OFR_PREFERRED_NAME>
Hexachlorocyclopentadienyl-dibromocyclooctane|1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
51936-55-1|-|13560-89-9

> <similarity>
0.832|0.9369369369369369|0.9541284403669725

$$$$
DTXSID20284688
  Mrv1813 07271812452D          

 20 21  0  0  0  0            999 V2000
    5.5270   -1.2349    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2315   -0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387   -1.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004   -1.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -1.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222   -2.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786    0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278    0.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916   -0.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    0.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1490    1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    2.0997    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5259    0.4278    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9549   -0.3976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8634    0.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6448    1.2271    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8634   -0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6414   -0.4113    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20284688

> <Analog_DSSTox_Structure_Id>
DTXCID40235839

> <Analog_Original_SMILES>
OC(=O)C1(CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)CC(O)=O

> <Analog_Canonical_QSARr>
OC(=O)C1(CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)CC(O)=O

> <Analog_CASRN>
6339-50-0

> <Analog_preferred_name>
2-(carboxymethyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

> <Analog - index>
0

> <OFR_ID>
143

> <OFR_DTXSID>
DTXSID2020268

> <OFR_PREFERRED_NAME>
CHLORENDIC ACID

> <OFR_CASRN>
115-28-6

> <similarity>
0.8791208791208791

$$$$
DTXSID20295850
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    2.9638    2.3426    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1619    1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656    0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693   -1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619   -1.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   -0.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582   -0.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1527    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9546    1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20295850

> <Analog_DSSTox_Structure_Id>
DTXCID20246988

> <Analog_Original_SMILES>
ClC1CCCCCCCCC1

> <Analog_Canonical_QSARr>
ClC1CCCCCCCCC1

> <Analog_CASRN>
7541-62-0

> <Analog_preferred_name>
chlorocyclodecane

> <Analog - index>
101|101|38|24

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID20298407
  Mrv1813 07271812452D          

 19 22  0  0  0  0            999 V2000
    3.5794    1.6364    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3829    0.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0671   -0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2734   -0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0671    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816    0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252   -1.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382   -0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.7881    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4319   -0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -0.7862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0920    0.0054    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9237   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587   -0.9124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634    0.7794    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  4  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13  2  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20298407

> <Analog_DSSTox_Structure_Id>
DTXCID10249544

> <Analog_Original_SMILES>
O=C1CC2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_Canonical_QSARr>
O=C1CC2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_CASRN>
34022-77-0

> <Analog_preferred_name>
5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one

> <Analog - index>
18

> <OFR_ID>
77

> <OFR_DTXSID>
DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
13560-89-9

> <similarity>
0.8059701492537313

$$$$
DTXSID20323127
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    0.3910    0.7133    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1055    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   -0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825    0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20323127

> <Analog_DSSTox_Structure_Id>
DTXCID20274246

> <Analog_Original_SMILES>
BrC1CC2CCC1CC2

> <Analog_Canonical_QSARr>
BrC1CC2CCC1CC2

> <Analog_CASRN>
2534-78-3

> <Analog_preferred_name>
2-Bromobicyclo[2.2.2]octane

> <Analog - index>
133|154|154|137|48|42

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID20328591
  Mrv1813 07271812452D          

 19 21  0  0  0  0            999 V2000
    4.1370    1.2567    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0107    0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926   -0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7831   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125    0.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8178    1.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1728   -1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111   -1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -1.8837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4741   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7570   -1.1180    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1725   -0.1392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -0.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709   -0.5267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180    0.9558    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13  2  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20328591

> <Analog_DSSTox_Structure_Id>
DTXCID40279697

> <Analog_Original_SMILES>
O=C1OC(=O)CC21CC1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
O=C1OC(=O)CC21CC1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_CASRN>
69796-48-1

> <Analog_preferred_name>
1,2,3,4,7,7-hexachlorospiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione

> <Analog - index>
3

> <OFR_ID>
142

> <OFR_DTXSID>
DTXSID2026941

> <OFR_PREFERRED_NAME>
HEXACHLORO ENDOMETHYLENE TETRAHYDROPHTHALIC ANHYDRIDE

> <OFR_CASRN>
115-27-5

> <similarity>
0.8457943925233645

$$$$
DTXSID20334576
  Mrv1813 07271812452D          

 18 17  0  0  0  0            999 V2000
    1.6496   -0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0798    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7943   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3666    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7956    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20334576

> <Analog_DSSTox_Structure_Id>
DTXCID30285666

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
45223-18-5

> <Analog_preferred_name>
1,16-Dibromohexadecane

> <Analog - index>
37|56|56|41|92|90

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20337764
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    2.5212   -0.8004    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6644    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892    0.2942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4894    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2039   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6328   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7762    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0769    0.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  4  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20337764

> <Analog_DSSTox_Structure_Id>
DTXCID50288851

> <Analog_Original_SMILES>
CCCCCCC1CC1(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCC1CC1(Cl)Cl

> <Analog_CASRN>
5685-42-7

> <Analog_preferred_name>
Cyclopropane, 1,1-dichloro-2-hexyl-

> <Analog - index>
205|205|169|167

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID20340511
  Mrv1813 07271812452D          

  8  9  0  0  0  0            999 V2000
    1.1292   -0.1672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480    0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335    0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335   -0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480   -0.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20340511

> <Analog_DSSTox_Structure_Id>
DTXCID00291592

> <Analog_Original_SMILES>
BrC1C2CCC1CC2

> <Analog_Canonical_QSARr>
BrC1C2CCC1CC2

> <Analog_CASRN>
13237-88-2

> <Analog_preferred_name>
7-Bromobicyclo[2.2.1]heptane

> <Analog - index>
200|208|208|209|210|205

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID20341427
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    1.7391   -1.6272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7391   -0.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247    0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016    0.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20341427

> <Analog_DSSTox_Structure_Id>
DTXCID40292508

> <Analog_Original_SMILES>
ClC12CCC(CC1)CC2

> <Analog_Canonical_QSARr>
ClC12CCC(CC1)CC2

> <Analog_CASRN>
2064-03-1

> <Analog_preferred_name>
1-Chlorobicyclo[2.2.2]octane

> <Analog - index>
226|222

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID20360850
  Mrv1813 07271812452D          

 13 15  0  0  0  0            999 V2000
    2.6734   -1.5636    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6734   -0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874   -0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5898   -0.1111    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585   -0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6561   -0.5329    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4090   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229    0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6734    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  2  1  0  0  0  0
 13 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20360850

> <Analog_DSSTox_Structure_Id>
DTXCID00311901

> <Analog_Original_SMILES>
BrC12CC3CC(Br)(C1)CC(Br)(C3)C2

> <Analog_Canonical_QSARr>
BrC12CC3CC(Br)(C1)CC(Br)(C3)C2

> <Analog_CASRN>
707-34-6

> <Analog_preferred_name>
1,3,5-tribromoadamantane

> <Analog - index>
118|142|142|0|28|176

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.925|0.8809523809523809|0.8809523809523809|1.0|0.8809523809523809|0.8571428571428571

$$$$
DTXSID20373667
  Mrv1813 07271812462D          

 14 15  0  0  0  0            999 V2000
    2.8747   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037    2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  6 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20373667

> <Analog_DSSTox_Structure_Id>
DTXCID20324699

> <Analog_Original_SMILES>
FC1C=C(C=CC=1)C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
FC1C=C(C=CC=1)C1C=CC(Br)=CC=1

> <Analog_CASRN>
40641-65-4

> <Analog_preferred_name>
4-Bromo-3'-fluorobiphenyl

> <Analog - index>
21

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8314606741573034

$$$$
DTXSID20379366
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    2.7532    2.0261    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1657    1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   -0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282   -0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532   -0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1657   -1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907   -1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032   -0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907   -0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907    1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20379366

> <Analog_DSSTox_Structure_Id>
DTXCID80330392

> <Analog_Original_SMILES>
BrC1CCCCCCCCCCC1

> <Analog_Canonical_QSARr>
BrC1CCCCCCCCCCC1

> <Analog_CASRN>
7795-35-9

> <Analog_preferred_name>
1-bromocyclododecane

> <Analog - index>
38|57|57|42|93|91

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID2042145
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
    1.4209   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4209   -2.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065   -0.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1354   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5644   -0.8257    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1354   -0.0007    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2042145

> <Analog_DSSTox_Structure_Id>
DTXCID0022145

> <Analog_Original_SMILES>
COC(=O)C(Br)CBr

> <Analog_Canonical_QSARr>
COC(=O)C(Br)CBr

> <Analog_CASRN>
1729-67-5

> <Analog_preferred_name>
Methyl 2,3-dibromopropionate

> <Analog - index>
2

> <OFR_ID>
99

> <OFR_DTXSID>
DTXSID90884159

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-17-0

> <similarity>
0.8636363636363636

$$$$
DTXSID20423676
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    2.1696   -2.3063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -1.0688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8841   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    1.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    2.2312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20423676

> <Analog_DSSTox_Structure_Id>
DTXCID80374514

> <Analog_Original_SMILES>
ClC1C=CC(C=C(Br)Br)=CC=1

> <Analog_Canonical_QSARr>
ClC1C=CC(C=C(Br)Br)=CC=1

> <Analog_CASRN>
77295-59-1

> <Analog_preferred_name>
1-Chloro-4-(2,2-dibromoethenyl)benzene

> <Analog - index>
8

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8026315789473685

$$$$
DTXSID2044395
  Mrv1813 07271812442D          

 13 12  0  0  0  0            999 V2000
    0.7745    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4889   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3468   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0613    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7757   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4902    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2047   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9192    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6336   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -0.4057    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2044395

> <Analog_DSSTox_Structure_Id>
DTXCID0024395

> <Analog_Original_SMILES>
CCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCBr

> <Analog_CASRN>
143-15-7

> <Analog_preferred_name>
1-Bromododecane

> <Analog - index>
39|58|58|43|94|92

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20444402
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.9369   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20444402

> <Analog_DSSTox_Structure_Id>
DTXCID20395223

> <Analog_Original_SMILES>
CCCCCCC(Cl)CC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCC(Cl)CC(Cl)Cl

> <Analog_CASRN>
10575-86-7

> <Analog_preferred_name>
Nonane, 1,1,3-trichloro-

> <Analog - index>
68|68|11|147

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID20444528
  Mrv1813 07271812462D          

 18 17  0  0  0  0            999 V2000
    1.6500    0.4813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5091    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9381    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3670    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0815    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20444528

> <Analog_DSSTox_Structure_Id>
DTXCID20395349

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCC(C)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCC(C)CBr

> <Analog_CASRN>
81367-59-1

> <Analog_preferred_name>
1-Bromo-2-methylhexadecane

> <Analog - index>
40|59|59|44|95|93

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20453438
  Mrv1813 07271812462D          

 10 11  0  0  0  0            999 V2000
    0.4548    0.2401    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943    0.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    0.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026   -0.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776   -0.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20453438

> <Analog_DSSTox_Structure_Id>
DTXCID10404257

> <Analog_Original_SMILES>
BrC1C2CCCCCCC21

> <Analog_Canonical_QSARr>
BrC1C2CCCCCCC21

> <Analog_CASRN>
36616-95-2

> <Analog_preferred_name>
Bicyclo[6.1.0]nonane, 9-bromo-

> <Analog - index>
41|60|60|45|96|94

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20455255
  Mrv1813 07271812462D          

 19 20  0  0  0  0            999 V2000
    5.4857    0.0760    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7712   -0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    0.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    2.5510    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6278    2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988    2.5510    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423   -0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567   -1.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567   -2.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712   -2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857   -1.5740    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 15  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20455255

> <Analog_DSSTox_Structure_Id>
DTXCID10406074

> <Analog_Original_SMILES>
COC1C=CC(OC2C=CC(Br)=CC=2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
COC1C=CC(OC2C=CC(Br)=CC=2Br)=C(Br)C=1Br

> <Analog_CASRN>
602326-25-0

> <Analog_preferred_name>
Benzene, 2,3-dibromo-1-(2,4-dibromophenoxy)-4-methoxy-

> <Analog - index>
44

> <OFR_ID>
36

> <OFR_DTXSID>
DTXSID9030048

> <OFR_PREFERRED_NAME>
PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
60348-60-9

> <similarity>
0.8034188034188035

$$$$
DTXSID20476107
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    1.6500    0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20476107

> <Analog_DSSTox_Structure_Id>
DTXCID90426917

> <Analog_Original_SMILES>
CCCCCCCCC(C)(C)Br

> <Analog_Canonical_QSARr>
CCCCCCCCC(C)(C)Br

> <Analog_CASRN>
502760-08-9

> <Analog_preferred_name>
2-bromo-2-methyldecane

> <Analog - index>
42|61|61|46|97|95

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20476248
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.2480    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9941    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6441    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20476248

> <Analog_DSSTox_Structure_Id>
DTXCID20427058

> <Analog_Original_SMILES>
Cl[C@@H]1CCCC[C@H]1C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1CCCCC1C(Cl)(Cl)Cl

> <Analog_CASRN>
62435-49-8

> <Analog_preferred_name>
CTK2B9837

> <Analog - index>
240|240|210

> <OFR_ID>
3|21|67

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579

$$$$
DTXSID20477018
  Mrv1813 07271812462D          

 18 19  0  0  0  0            999 V2000
    5.4606   -0.2750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317    2.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    3.0250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317   -2.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4606   -1.9250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20477018

> <Analog_DSSTox_Structure_Id>
DTXCID90427828

> <Analog_Original_SMILES>
BrC1C=CC(OC2C=CC=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(OC2C=CC=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_CASRN>
327185-11-5

> <Analog_preferred_name>
Benzene, 1,2,3-tribromo-4-(2,3-dibromophenoxy)-

> <Analog - index>
17|14|13|15|17|9|16|22

> <OFR_ID>
26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8910891089108911|0.8811881188118812|0.8811881188118812|0.8811881188118812|0.81|0.9207920792079208|0.82|0.81

$$$$
DTXSID20486367
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    1.5510   -0.6320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0813    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510    0.6320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2247    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2247   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5102   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20486367

> <Analog_DSSTox_Structure_Id>
DTXCID20437177

> <Analog_Original_SMILES>
ClC1(Cl)C2CC(Cl)C(Cl)CC12

> <Analog_Canonical_QSARr>
ClC1(Cl)C2CC(Cl)C(Cl)CC12

> <Analog_CASRN>
60040-74-6

> <Analog_preferred_name>
Bicyclo[4.1.0]heptane, 3,4,7,7-tetrachloro-

> <Analog - index>
69|69|237

> <OFR_ID>
3|21|95

> <OFR_DTXSID>
DTXSID30860639|-|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.85

$$$$
DTXSID2049349
  Mrv1813 07271812442D          

 12 11  0  0  0  0            999 V2000
   -0.4339   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2806   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9951   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7096   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1385   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8530   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5674   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9964   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7108   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253   -1.5708    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2049349

> <Analog_DSSTox_Structure_Id>
DTXCID9029308

> <Analog_Original_SMILES>
CCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCBr

> <Analog_CASRN>
693-67-4

> <Analog_preferred_name>
1-Bromoundecane

> <Analog - index>
43|62|62|47|98|96

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID2049397
  Mrv1813 07271812442D          

 17 16  0  0  0  0            999 V2000
    0.7902    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5047   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2192    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0771    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7915   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9350    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6494   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3639    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0784   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7928    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5073   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758   -0.3743    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2049397

> <Analog_DSSTox_Structure_Id>
DTXCID9029356

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
112-82-3

> <Analog_preferred_name>
Hexadecane,1-bromo-

> <Analog - index>
44|63|63|48|99|97

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20508114
  Mrv1813 07271812462D          

  7  7  0  0  0  0            999 V2000
    3.0320    1.2535    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849   -0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20508114

> <Analog_DSSTox_Structure_Id>
DTXCID00458921

> <Analog_Original_SMILES>
BrCC1CCCC1

> <Analog_Canonical_QSARr>
BrCC1CCCC1

> <Analog_CASRN>
3814-30-0

> <Analog_preferred_name>
(Bromomethyl)cyclopentane

> <Analog - index>
26

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID20517408
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    3.0790   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3810    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810    2.1434    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060   -2.1434    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9685   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20517408

> <Analog_DSSTox_Structure_Id>
DTXCID70468214

> <Analog_Original_SMILES>
CC(Br)CC(Br)(Br)CC(C)Br

> <Analog_Canonical_QSARr>
CC(Br)CC(Br)(Br)CC(C)Br

> <Analog_CASRN>
86405-88-1

> <Analog_preferred_name>
2,4,4,6-Tetrabromoheptane

> <Analog - index>
210|17

> <OFR_ID>
20|113

> <OFR_DTXSID>
DTXSID20891513|DTXSID4052687

> <OFR_PREFERRED_NAME>
HEXABROMOCYCLODODECANE|?

> <OFR_CASRN>
1093632-34-8|1837-91-8

> <similarity>
0.8205128205128205|0.8571428571428571

$$$$
DTXSID20521363
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    4.0792   -1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3647   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3647    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20521363

> <Analog_DSSTox_Structure_Id>
DTXCID20472169

> <Analog_Original_SMILES>
BrC[C@H]1C[C@H](CCC1)CBr

> <Analog_Canonical_QSARr>
BrCC1CC(CCC1)CBr

> <Analog_CASRN>
57702-85-9

> <Analog_preferred_name>
(1R,3S)-1,3-Bis(bromomethyl)cyclohexane

> <Analog - index>
246|202|202|180|174|196

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8|0.8048780487804879|0.8048780487804879|0.8717948717948718|0.85|0.825

$$$$
DTXSID20522855
  Mrv1813 07271812462D          

 15 14  0  0  0  0            999 V2000
    5.0795    3.3690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0795    2.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2545    2.5440    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9045    2.5440    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0795    1.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650    1.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650    0.4815    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -1.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0795    0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0795   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940   -1.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20522855

> <Analog_DSSTox_Structure_Id>
DTXCID70473661

> <Analog_Original_SMILES>
CCCOP(OCC(Cl)(Cl)Cl)OCCC

> <Analog_Canonical_QSARr>
CCCOP(OCC(Cl)(Cl)Cl)OCCC

> <Analog_CASRN>
88399-60-4

> <Analog_preferred_name>
Dipropyl 2,2,2-trichloroethyl phosphite

> <Analog - index>
6

> <OFR_ID>
140

> <OFR_DTXSID>
DTXSID3027615

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6145-73-9

> <similarity>
0.8484848484848485

$$$$
DTXSID20524637
  Mrv1813 07271812462D          

 12 14  0  0  0  0            999 V2000
    4.1866   -1.1120    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5099   -0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -1.2245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8572    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790    0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045    0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    0.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    1.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388    0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6122   -0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606   -0.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  2  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20524637

> <Analog_DSSTox_Structure_Id>
DTXCID10475442

> <Analog_Original_SMILES>
BrC1(Br)C2(CC2)C21CCCCC2

> <Analog_Canonical_QSARr>
BrC1(Br)C2(CC2)C21CCCCC2

> <Analog_CASRN>
88466-18-6

> <Analog_preferred_name>
10,10-Dibromodispiro[2.0.5~4~.1~3~]decane

> <Analog - index>
134|155|155|138|186|184

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID20526277
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20526277

> <Analog_DSSTox_Structure_Id>
DTXCID10477082

> <Analog_Original_SMILES>
CC(C)CCC[C@@H](C)CCCl

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCCl

> <Analog_CASRN>
66261-41-4

> <Analog_preferred_name>
(3R)-1-Chloro-3,7-dimethyloctane

> <Analog - index>
172|172|117|105

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID20533022
  Mrv1813 07271812462D          

 15 17  0  0  0  0            999 V2000
    3.0534   -0.9239    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6357   -0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830    0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8047    0.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3303    1.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613    0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    1.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3395    1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646    1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863   -0.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123   -0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890   -1.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8404   -1.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7843   -0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  2  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20533022

> <Analog_DSSTox_Structure_Id>
DTXCID20483811

> <Analog_Original_SMILES>
CC(C)(C)C1(Br)C2(CC2)C21CCCCC2

> <Analog_Canonical_QSARr>
CC(C)(C)C1(Br)C2(CC2)C21CCCCC2

> <Analog_CASRN>
88672-86-0

> <Analog_preferred_name>
10-Bromo-10-tert-butyldispiro[2.0.5~4~.1~3~]decane

> <Analog - index>
135|156|156|139|187|185

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID20533067
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    2.5487    1.5250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6093    1.5250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8930    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7570    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5820    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.7570    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8930    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20533067

> <Analog_DSSTox_Structure_Id>
DTXCID20483856

> <Analog_Original_SMILES>
ClC1(Br)C(Br)C(Br)C(Br)C(Br)C1Br

> <Analog_Canonical_QSARr>
ClC1(Br)C(Br)C(Br)C(Br)C(Br)C1Br

> <Analog_CASRN>
88400-64-0

> <Analog_preferred_name>
1,2,3,4,5,6-Hexabromo-1-chlorocyclohexane

> <Analog - index>
1

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.9555555555555556

$$$$
DTXSID20543500
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.3643    0.3713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0787   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0800    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20543500

> <Analog_DSSTox_Structure_Id>
DTXCID20494285

> <Analog_Original_SMILES>
CCC(C)CCCCCBr

> <Analog_Canonical_QSARr>
CCC(C)CCCCCBr

> <Analog_CASRN>
54089-02-0

> <Analog_preferred_name>
1-Bromo-6-methyloctane

> <Analog - index>
136|157|157|140|49|43

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID20549486
  Mrv1813 07271812462D          

  9 10  0  0  0  0            999 V2000
    1.7672   -0.6264    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2975    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7672    0.6376    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0119   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6764   -1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0119    0.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2815    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   -0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20549486

> <Analog_DSSTox_Structure_Id>
DTXCID80500270

> <Analog_Original_SMILES>
CC12CCCC1C2(Br)Br

> <Analog_Canonical_QSARr>
CC12CCCC1C2(Br)Br

> <Analog_CASRN>
106988-84-5

> <Analog_preferred_name>
6,6-Dibromo-1-methylbicyclo[3.1.0]hexane

> <Analog - index>
201|209|209|211|211|206

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID20549845
  Mrv1813 07271812462D          

  8  7  0  0  0  0            999 V2000
    1.4712    0.3094    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1857   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0436   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7580    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20549845

> <Analog_DSSTox_Structure_Id>
DTXCID30500629

> <Analog_Original_SMILES>
CCC(C)CCCBr

> <Analog_Canonical_QSARr>
CCC(C)CCCBr

> <Analog_CASRN>
71434-55-4

> <Analog_preferred_name>
1-Bromo-4-methylhexane

> <Analog - index>
27

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID20557389
  Mrv1813 07271812462D          

 15 15  0  0  0  0            999 V2000
   -0.6840   -0.9350    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0305   -1.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594   -1.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3173    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0317   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7462    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4607   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1752    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20557389

> <Analog_DSSTox_Structure_Id>
DTXCID40508171

> <Analog_Original_SMILES>
CCCCCCCC1CCC(CBr)CC1

> <Analog_Canonical_QSARr>
CCCCCCCC1CCC(CBr)CC1

> <Analog_CASRN>
71458-16-7

> <Analog_preferred_name>
1-(Bromomethyl)-4-heptylcyclohexane

> <Analog - index>
45|64|64|49|100|98

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID2058045
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    0.3361   -2.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -1.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -2.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -3.6651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2641   -2.8401    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2641   -1.1901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -0.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3361   -1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812   -0.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -2.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2058045

> <Analog_DSSTox_Structure_Id>
DTXCID8031813

> <Analog_Original_SMILES>
O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
27355-22-2

> <Analog_preferred_name>
Fthalide

> <Analog - index>
0

> <OFR_ID>
127

> <OFR_DTXSID>
DTXSID7026102

> <OFR_PREFERRED_NAME>
TETRACHLOROPHTHALIC ANHYDRIDE

> <OFR_CASRN>
117-08-8

> <similarity>
0.808695652173913

$$$$
DTXSID20583042
  Mrv1813 07271812462D          

 25 29  0  0  0  0            999 V2000
    3.6937   -3.1051    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6937   -2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082   -1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1226   -0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8371   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8371   -1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1226   -2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937   -0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    0.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082    0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082    1.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    1.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    2.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082    3.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1226    2.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1226    1.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5503   -1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5503   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 10 19  1  0  0  0  0
 20  9  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20583042

> <Analog_DSSTox_Structure_Id>
DTXCID40533807

> <Analog_Original_SMILES>
BrC1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1=CC2=CC=CC=C2C=C1

> <Analog_Canonical_QSARr>
BrC1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1=CC2=CC=CC=C2C=C1

> <Analog_CASRN>
474688-73-8

> <Analog_preferred_name>
9-Bromo-10-(naphthalen-2-yl)anthracene

> <Analog - index>
12

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8571428571428571

$$$$
DTXSID20583825
  Mrv1813 07271812462D          

  7  7  0  0  0  0            999 V2000
    2.9349    1.4985    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9349    0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204    0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349   -0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20583825

> <Analog_DSSTox_Structure_Id>
DTXCID80534590

> <Analog_Original_SMILES>
[2H]C1(Br)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

> <Analog_Canonical_QSARr>
BrC1CCCCC1

> <Analog_CASRN>
35558-49-7

> <Analog_preferred_name>
1-Bromo(~2~H_11_)cyclohexane

> <Analog - index>
28

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID2058752
  Mrv1813 07271812472D          

 18 21  0  0  0  0            999 V2000
    2.0366    0.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5486   -0.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920    0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9528   -1.8162    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007    0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6502    1.1683    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149    0.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    1.7422    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886   -0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041    0.8692    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7377   -0.3784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012   -0.4627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496   -1.5832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2058752

> <Analog_DSSTox_Structure_Id>
DTXCID70819929

> <Analog_Original_SMILES>
ClC1(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4O[C@@H]4[C@@H](Cl)[C@@H]3[C@]1(Cl)C(Cl)=C2Cl |&1:3,5,6,8,9,11,12|

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
28044-83-9

> <Analog_preferred_name>
Heptachlor epoxide A

> <Analog - index>
1

> <OFR_ID>
58

> <OFR_DTXSID>
DTXSID0052702

> <OFR_PREFERRED_NAME>
1,4:6,9-Dimethanodibenzofuran, 1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-

> <OFR_CASRN>
31107-44-5

> <similarity>
0.8016194331983806

$$$$
DTXSID20603032
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    4.7021    0.9248    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0570    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    1.5934    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5704    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254    0.9248    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3869   -0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826   -0.5775    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9012   -1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7262   -1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0842   -1.7822    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2406   -0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0449   -0.5775    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20603032

> <Analog_DSSTox_Structure_Id>
DTXCID60553789

> <Analog_Original_SMILES>
BrC1C(Br)CC(Br)C(Br)C(Br)C1Br

> <Analog_Canonical_QSARr>
BrC1C(Br)CC(Br)C(Br)C(Br)C1Br

> <Analog_CASRN>
64960-77-6

> <Analog_preferred_name>
1,2,3,4,5,6-Hexabromocycloheptane

> <Analog - index>
244|182|182|203|15|13|65

> <OFR_ID>
2|4|19|20|113|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID4052687|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|?|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|1837-91-8|3322-93-8|3194-57-8

> <similarity>
0.8095238095238095|0.8571428571428571|0.8571428571428571|0.8333333333333334|0.868421052631579|0.9024390243902439|0.8780487804878049

$$$$
DTXSID20604307
  Mrv1813 07271812462D          

 24 23  0  0  0  0            999 V2000
    1.6500   -0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9381    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0815   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7960    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5105   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9394   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6539    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3684   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0828    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20604307

> <Analog_DSSTox_Structure_Id>
DTXCID40555064

> <Analog_Original_SMILES>
ClCCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
90600-92-3

> <Analog_preferred_name>
1,22-Dichlorodocosane

> <Analog - index>
102|102|39|25

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID20622708
  Mrv1813 07271812472D          

 45 45  0  0  0  0            999 V2000
    4.5414    2.7384    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0686    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    2.6946    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3825    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    2.4596    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8816    2.3013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4843    1.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7202    2.5273    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7521    2.1170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9733    1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    1.7048    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2716    0.6553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2787    0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.2118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5622   -0.0864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7677   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615   -0.1496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0659   -0.7588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0730   -1.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   -1.2590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -1.9160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8895   -1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5768   -1.9735    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8855   -2.0351    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399   -2.5869    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2197   -2.8011    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0113   -2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526   -2.8786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7378   -2.4860    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5223   -1.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -2.0632    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2240   -1.0137    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2169   -0.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0344   -0.5702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9333   -0.2720    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7279   -0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314   -0.2205    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4419    0.3799    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4304    0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    0.4843    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1904    1.1399    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    1.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179    1.3978    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2984    2.1775    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 10  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 13  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 19  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 22  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 25  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 31 28  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 34 31  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 37 34  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 40 37  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 43 40  1  0  0  0  0
  2 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20622708

> <Analog_DSSTox_Structure_Id>
DTXCID60573462

> <Analog_Original_SMILES>
ClC1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl

> <Analog_CASRN>
7346-98-7

> <Analog_preferred_name>
Triacontachlorocyclopentadecane

> <Analog - index>
0

> <OFR_ID>
1

> <OFR_DTXSID>
DTXSID7020895

> <OFR_PREFERRED_NAME>
MIREX

> <OFR_CASRN>
2385-85-5

> <similarity>
1.0

$$$$
DTXSID20631991
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    3.8832    1.0651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8832    0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8832   -0.5849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7082    0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1207   -0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7082   -1.1889    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9457   -0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -1.1889    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0582    0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    0.9546    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20631991

> <Analog_DSSTox_Structure_Id>
DTXCID30582743

> <Analog_Original_SMILES>
ClCCC(Cl)(Cl)CC(Cl)CCl

> <Analog_Canonical_QSARr>
ClCCC(Cl)(Cl)CC(Cl)CCl

> <Analog_CASRN>
62021-33-4

> <Analog_preferred_name>
1,2,4,4,6-Pentachlorohexane

> <Analog - index>
241|241

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8048780487804879|0.8048780487804879

$$$$
DTXSID2063630
  Mrv1813 07271812442D          

 16 15  0  0  0  0            999 V2000
   11.7117    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9972    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2828    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5683    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8538    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1393    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4249    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7104    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9959    4.2867    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4262    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1406    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8551    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5696    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2841    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9985    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7130    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2063630

> <Analog_DSSTox_Structure_Id>
DTXCID4040634

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCl

> <Analog_CASRN>
4862-03-7

> <Analog_preferred_name>
Pentadecane, 1-chloro-

> <Analog - index>
103|103|40|26

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID20697794
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20697794

> <Analog_DSSTox_Structure_Id>
DTXCID60648543

> <Analog_Original_SMILES>
CCCCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
865306-25-8

> <Analog_preferred_name>
1,1,1,3-Tetrachlorotetradecane

> <Analog - index>
70|70|12|148

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID20699637
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    6.6037    1.3063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6037    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8893    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1748    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4603    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7459    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0314    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0327    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7472    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4616    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1761    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8906    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20699637

> <Analog_DSSTox_Structure_Id>
DTXCID40650386

> <Analog_Original_SMILES>
CCCCCCC(Br)CCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCC(Br)CCCCCCC

> <Analog_CASRN>
74036-97-8

> <Analog_preferred_name>
7-Bromotetradecane

> <Analog - index>
46|65|65|50|101|99

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20707125
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5091    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9381    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3670    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0815    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20707125

> <Analog_DSSTox_Structure_Id>
DTXCID20657873

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
63415-61-2

> <Analog_preferred_name>
1,1-Dichlorohexadecane

> <Analog - index>
149|149|92|80

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID20709962
  Mrv1813 07271812472D          

 31 32  0  0  0  0            999 V2000
    5.0149    2.8343    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0149    2.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3004    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3004    0.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860    0.3593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9985   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    1.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1570    0.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    0.3593    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -1.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -2.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136   -2.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136   -3.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008   -3.7657    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -3.7657    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1570   -1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1570   -2.1157    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0149    0.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7294    0.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4439    0.3593    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7294    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4439    2.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8728    2.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3017    2.0093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    0.7718    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 12  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  2  0  0  0  0
  8 21  1  0  0  0  0
 22  4  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20709962

> <Analog_DSSTox_Structure_Id>
DTXCID10660710

> <Analog_Original_SMILES>
O=S(=O)(C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1

> <Analog_Canonical_QSARr>
O=S(=O)(C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1

> <Analog_CASRN>
73575-21-0

> <Analog_preferred_name>
1,1'-Sulfonylbis[3,5-dibromo-4-(3,3-dibromopropoxy)benzene]

> <Analog - index>
0

> <OFR_ID>
78

> <OFR_DTXSID>
DTXSID5044942

> <OFR_PREFERRED_NAME>
1,1'-SULFONYLBIS[3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)BENZENE]

> <OFR_CASRN>
42757-55-1

> <similarity>
0.9464285714285714

$$$$
DTXSID20712315
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    5.3653   -0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6508    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    1.4437    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20712315

> <Analog_DSSTox_Structure_Id>
DTXCID30663061

> <Analog_Original_SMILES>
ClC[C@@H]1CCCC[C@H]1CCl

> <Analog_Canonical_QSARr>
ClCC1CCCCC1CCl

> <Analog_CASRN>
61169-66-2

> <Analog_preferred_name>
(1R,2R)-1,2-Bis(chloromethyl)cyclohexane

> <Analog - index>
104|104|170|27

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8947368421052632|0.9459459459459459

$$$$
DTXSID2071867
  Mrv1813 07271812442D          

 20 21  0  0  0  0            999 V2000
    3.3580   -1.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -0.2887    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001   -1.1137    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001   -2.7637    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -2.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -3.5887    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580   -2.7637    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3580   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0725    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7869   -0.2887    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0725    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7869    1.3613    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    1.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2071867

> <Analog_DSSTox_Structure_Id>
DTXCID0046355

> <Analog_Original_SMILES>
BrC1=C(OC2C=CC=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(OC2C=CC=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
68928-80-3

> <Analog_preferred_name>
Heptabromodiphenyl ether

> <Analog - index>
12|7|12|17|13|16

> <OFR_ID>
24|26|27|30|31|36

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8144329896907216|0.9381443298969072|0.8888888888888888|0.87|0.8888888888888888|0.91

$$$$
DTXSID20720475
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    4.9476    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2331   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2331   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20720475

> <Analog_DSSTox_Structure_Id>
DTXCID10671220

> <Analog_Original_SMILES>
CCCOC1C(Br)=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
CCCOC1C(Br)=CC(Br)=CC=1Br

> <Analog_CASRN>
90326-75-3

> <Analog_preferred_name>
1,3,5-Tribromo-2-propoxybenzene

> <Analog - index>
0

> <OFR_ID>
147

> <OFR_DTXSID>
DTXSID5052705

> <OFR_PREFERRED_NAME>
TRIBROMOPHENOL 2,3-DIBROMOPROPYL ETHER

> <OFR_CASRN>
35109-60-5

> <similarity>
0.8205128205128205

$$$$
DTXSID20745668
  Mrv1813 07271812472D          

  7  6  0  0  0  0            999 V2000
    2.0928    0.3830    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2363   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6652   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3797    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20745668

> <Analog_DSSTox_Structure_Id>
DTXCID50696412

> <Analog_Original_SMILES>
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2]Br

> <Analog_Canonical_QSARr>
CCCCCCBr

> <Analog_CASRN>
286013-15-8

> <Analog_preferred_name>
1-Bromo(~13~C_6_)hexane

> <Analog - index>
29

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID2074827
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    2.5721   -0.9075    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8576   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    1.5675    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858    0.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID2074827

> <Analog_DSSTox_Structure_Id>
DTXCID6036540

> <Analog_Original_SMILES>
COC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
COC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
21702-84-1

> <Analog_preferred_name>
Benzene, 2,4-dibromo-1-methoxy-

> <Analog - index>
0

> <OFR_ID>
125

> <OFR_DTXSID>
DTXSID1060558

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
607-99-8

> <similarity>
0.8571428571428571

$$$$
DTXSID20776058
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    4.7633   -1.6724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1799   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4956   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1799    0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177    2.4011    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2427    1.5761    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5927    1.5761    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177   -1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20776058

> <Analog_DSSTox_Structure_Id>
DTXCID70726801

> <Analog_Original_SMILES>
ClC1CCCCC(CC1)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1CCCCC(CC1)C(Cl)(Cl)Cl

> <Analog_CASRN>
16844-39-6

> <Analog_preferred_name>
1-Chloro-4-(trichloromethyl)cyclooctane

> <Analog - index>
71|71|13|3

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.9473684210526315

$$$$
DTXSID20782518
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    4.2480   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6441    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9941    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20782518

> <Analog_DSSTox_Structure_Id>
DTXCID60733261

> <Analog_Original_SMILES>
CC(C)(C)[C@H]1CCC[C@H](Cl)C1

> <Analog_Canonical_QSARr>
CC(C)(C)C1CCCC(Cl)C1

> <Analog_CASRN>
20259-35-2

> <Analog_preferred_name>
(1S,3S)-1-tert-Butyl-3-chlorocyclohexane

> <Analog - index>
173|173|118|106

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID20783707
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    5.8476   -0.5672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1331   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4187   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4187    0.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    1.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    2.7328    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -0.5672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4187   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1331   -1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20783707

> <Analog_DSSTox_Structure_Id>
DTXCID60734450

> <Analog_Original_SMILES>
BrC1C=CC=C(Br)C=1OC1=CC(Br)=CC=C1

> <Analog_Canonical_QSARr>
BrC1C=CC=C(Br)C=1OC1=CC(Br)=CC=C1

> <Analog_CASRN>
337513-53-8

> <Analog_preferred_name>
1,3-Dibromo-2-(3-bromophenoxy)benzene

> <Analog - index>
28|32|24|30

> <OFR_ID>
26|27|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|207122-15-4|60348-60-9

> <similarity>
0.8383838383838383|0.81|0.8469387755102041|0.85

$$$$
DTXSID20786910
  Mrv1813 07271812472D          

 19 20  0  0  0  0            999 V2000
    5.7865   -0.1303    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0720   -0.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576   -0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576    0.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    1.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286    2.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286    3.1697    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2141    1.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4997    2.3447    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2141    1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286    0.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431   -0.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431   -1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286   -1.7803    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3576   -1.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576   -2.6053    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0720   -1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7865   -1.7803    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20786910

> <Analog_DSSTox_Structure_Id>
DTXCID10737653

> <Analog_Original_SMILES>
BrC1C(=CC(Br)=C(Br)C=1Br)OC1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1C(=CC(Br)=C(Br)C=1Br)OC1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
405237-85-6

> <Analog_preferred_name>
1,2,3,4-Tetrabromo-5-(3,4-dibromophenoxy)benzene

> <Analog - index>
9|2|8|5|6|12|4|11|10

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8315789473684211|0.9578947368421052|0.9270833333333334|0.9270833333333334|0.9270833333333334|0.8333333333333334|0.96875|0.84375|0.8526315789473684

$$$$
DTXSID20787124
  Mrv1813 07271812472D          

 11 12  0  0  0  0            999 V2000
    1.2375   -0.5537    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7678    0.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7102    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8906    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8906   -0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656   -0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20787124

> <Analog_DSSTox_Structure_Id>
DTXCID80737867

> <Analog_Original_SMILES>
BrC1(Br)[C@H]2CCCCCC[C@H]12

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCCCCCC12

> <Analog_CASRN>
59531-26-9

> <Analog_preferred_name>
(1S,8S)-9,9-Dibromobicyclo[6.1.0]nonane

> <Analog - index>
47|66|66|51|102|100

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20805519
  Mrv1813 07271812472D          

 24 25  0  0  0  0            999 V2000
    1.5010   -1.3921    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5010   -0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154   -0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -0.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444   -0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3588   -0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733   -0.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7878   -0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7878   -1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733   -1.8046    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5023   -1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9312   -1.8046    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5023   -0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5023    0.6704    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2154    0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299    1.0829    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5010    1.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010    1.9079    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7865    0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720    1.0829    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720   -0.5671    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17  3  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  2  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20805519

> <Analog_DSSTox_Structure_Id>
DTXCID50756262

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1OCCOC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1OCCOC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
62750-73-6

> <Analog_preferred_name>
1,2,3,4,5-Pentabromo-6-[2-(2,4,6-tribromophenoxy)ethoxy]benzene

> <Analog - index>
3|0

> <OFR_ID>
57|59

> <OFR_DTXSID>
DTXSID60886428|DTXSID1024627

> <OFR_PREFERRED_NAME>
?|1,2-BIS(2,4,6-TRIBROMOPHENOXY)ETHANE

> <OFR_CASRN>
61262-53-1|37853-59-1

> <similarity>
0.8181818181818182|0.8818181818181818

$$$$
DTXSID20806425
  Mrv1813 07271812472D          

 10 11  0  0  0  0            999 V2000
    0.7247    0.2723    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642   -0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994   -0.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642    0.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    1.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135    1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135   -0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092   -0.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20806425

> <Analog_DSSTox_Structure_Id>
DTXCID00757168

> <Analog_Original_SMILES>
CC12CCCCCC1C2Br

> <Analog_Canonical_QSARr>
CC12CCCCCC1C2Br

> <Analog_CASRN>
62653-32-1

> <Analog_preferred_name>
8-Bromo-1-methylbicyclo[5.1.0]octane

> <Analog - index>
48|67|67|52|103|101

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20807316
  Mrv1813 07271812472D          

 12 11  0  0  0  0            999 V2000
    4.7024   -2.2570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7024   -1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9879   -1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4004   -0.3051    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754   -1.7340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735   -0.6070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    0.2180    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    1.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0985    0.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5110    0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4485    0.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20807316

> <Analog_DSSTox_Structure_Id>
DTXCID00758059

> <Analog_Original_SMILES>
COP(=O)(OC(F)(F)CCl)OC

> <Analog_Canonical_QSARr>
COP(=O)(OC(F)(F)CCl)OC

> <Analog_CASRN>
62576-40-3

> <Analog_preferred_name>
2-Chloro-1,1-difluoroethyl dimethyl phosphate

> <Analog - index>
24

> <OFR_ID>
108

> <OFR_DTXSID>
DTXSID5021411

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE

> <OFR_CASRN>
115-96-8

> <similarity>
0.8076923076923077

$$$$
DTXSID20807876
  Mrv1813 07271812432D          

 10  9  0  0  0  0            999 V2000
    1.6496    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    0.2063    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.2219    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  CHG  1   5   1
M  END
> <Analog_dsstox_substance_id>
DTXSID20807876

> <Analog_DSSTox_Structure_Id>
DTXCID40758619

> <Analog_Original_SMILES>
CC(C)O[P+](=O)OCCCl

> <Analog_Canonical_QSARr>
CC(C)O[P+](=O)OCCCl

> <Analog_CASRN>
62516-50-1

> <Analog_preferred_name>
(2-Chloroethoxy)(oxo)[(propan-2-yl)oxy]phosphanium

> <Analog - index>
11|6|2|1|1

> <OFR_ID>
106|108|137|139|141

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|-|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|?|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
140-08-9|115-96-8|-|13674-87-8|13674-84-5

> <similarity>
0.803921568627451|0.9215686274509803|0.8301886792452831|0.9433962264150944|0.9615384615384616

$$$$
DTXSID20810380
  Mrv1813 07271812472D          

 21 21  0  0  0  0            999 V2000
    3.1268    1.1922    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6571    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7152    0.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5136    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5136   -0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281   -1.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281   -1.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426   -2.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -1.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -1.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426   -0.6773    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3715   -0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537   -1.4525    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1840   -0.5340    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3715    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1960    0.1765    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8087    0.8474    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1874    1.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 15  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20810380

> <Analog_DSSTox_Structure_Id>
DTXCID40761123

> <Analog_Original_SMILES>
CC1(C)CCCCCCCC(Br)C(Br)(Br)C(Br)(Br)C1(C)Br

> <Analog_Canonical_QSARr>
CC1(C)CCCCCCCC(Br)C(Br)(Br)C(Br)(Br)C1(C)Br

> <Analog_CASRN>
62249-32-5

> <Analog_preferred_name>
2,3,3,4,4,5-Hexabromo-1,1,2-trimethylcyclododecane

> <Analog - index>
2|9|9|124|29|24

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9743589743589743|0.926829268292683|0.926829268292683|0.9024390243902439|0.8809523809523809|0.9024390243902439

$$$$
DTXSID20810466
  Mrv1813 07271812472D          

 10 11  0  0  0  0            999 V2000
    2.0014   -1.8283    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3171   -1.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3171    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337    0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1421    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7254    0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7254   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1421   -1.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20810466

> <Analog_DSSTox_Structure_Id>
DTXCID40761209

> <Analog_Original_SMILES>
BrC12CC(CC1)CCCC2

> <Analog_Canonical_QSARr>
BrC12CC(CC1)CCCC2

> <Analog_CASRN>
62243-36-1

> <Analog_preferred_name>
1-Bromobicyclo[4.2.1]nonane

> <Analog - index>
49|68|68|53|104|102

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20814626
  Mrv1813 07271812472D          

  9  8  0  0  0  0            999 V2000
    5.0884   -0.3009    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3739   -0.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6594   -0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450    0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305   -0.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0719    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6594    1.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469   -1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219   -1.0153    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20814626

> <Analog_DSSTox_Structure_Id>
DTXCID40765368

> <Analog_Original_SMILES>
OCC(CF)(CBr)CO

> <Analog_Canonical_QSARr>
OCC(CF)(CBr)CO

> <Analog_CASRN>
61729-11-1

> <Analog_preferred_name>
2-(Bromomethyl)-2-(fluoromethyl)propane-1,3-diol

> <Analog - index>
4

> <OFR_ID>
101

> <OFR_DTXSID>
DTXSID9020164

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL

> <OFR_CASRN>
3296-90-0

> <similarity>
0.8387096774193549

$$$$
DTXSID20823258
  Mrv1813 07271812472D          

 16 16  0  0  0  0            999 V2000
   -0.1806    1.5726    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1806    0.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338    0.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9628   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6772   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1062   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5351   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2496   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9628    0.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
  3 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20823258

> <Analog_DSSTox_Structure_Id>
DTXCID30774000

> <Analog_Original_SMILES>
CCCCCCCCC1CCC(CBr)CC1

> <Analog_Canonical_QSARr>
CCCCCCCCC1CCC(CBr)CC1

> <Analog_CASRN>
71458-17-8

> <Analog_preferred_name>
1-(Bromomethyl)-4-octylcyclohexane

> <Analog - index>
50|69|69|54|105|103

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID20860744
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    2.5967   -0.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    1.0892    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    0.2642    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -0.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -1.3858    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -2.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967   -2.6233    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -2.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -3.4483    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7401   -2.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4546   -2.6233    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7401   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257   -0.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 10 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20860744

> <Analog_DSSTox_Structure_Id>
DTXCID001174

> <Analog_Original_SMILES>
BrC1C=C(C=C(Br)C=1Br)C1=CC=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C=C(Br)C=1Br)C1=CC=C(Br)C(Br)=C1Br

> <Analog_CASRN>
NOCAS_860744

> <Analog_preferred_name>
CERAPP_22913

> <Analog - index>
12|12|13|37|49|7|11|44|44|13

> <OFR_ID>
23|25|29|32|33|34|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.8333333333333334|0.9387755102040817|0.9292929292929293|0.8867924528301887|0.8461538461538461|0.8631578947368421|0.8333333333333334|0.8679245283018868|0.8476190476190476|0.8229166666666666

$$$$
DTXSID20863457
  Mrv1813 07271812472D          

 35 36  0  0  0  0            999 V2000
    1.7503    3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503    2.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    1.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -1.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -1.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -2.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -3.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -2.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503   -2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648   -3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8938   -3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6082   -2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648   -1.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -3.9842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365   -2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2510   -3.1592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2510   -1.5092    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -1.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -0.6842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6158   -2.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637   -1.9951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637   -2.6734    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 11  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 23  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  5 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20863457

> <Analog_DSSTox_Structure_Id>
DTXCID70812076

> <Analog_Original_SMILES>
CCCCC(COC(=O)C1C(C(=O)OCC(CCCC)CC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)CC

> <Analog_Canonical_QSARr>
CCCCC(COC(=O)C1C(C(=O)OCC(CCCC)CC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)CC

> <Analog_CASRN>
NOCAS_863457

> <Analog_preferred_name>
CERAPP_31549

> <Analog - index>
2|0|4

> <OFR_ID>
11|70|142

> <OFR_DTXSID>
DTXSID3040306|DTXSID1051802|DTXSID2026941

> <OFR_PREFERRED_NAME>
?|?|HEXACHLORO ENDOMETHYLENE TETRAHYDROPHTHALIC ANHYDRIDE

> <OFR_CASRN>
1773-89-3|1770-80-5|115-27-5

> <similarity>
0.801762114537445|0.973568281938326|0.8076923076923077

$$$$
DTXSID20866307
  Mrv1813 07271812472D          

 20 24  0  0  0  0            999 V2000
    2.2523   -0.8412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6652   -0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135   -0.8750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2643    0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -0.0917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6093    0.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761    1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096    0.6986    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3901    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188    1.9754    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6107    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1733    2.9583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143    0.5096    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -0.2907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046    1.4345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    2.2299    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15  6  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 10  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20866307

> <Analog_DSSTox_Structure_Id>
DTXCID40814603

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C(Cl)C14Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C(Cl)C14Cl

> <Analog_CASRN>
NOCAS_866307

> <Analog_preferred_name>
CERAPP_41001

> <Analog - index>
7|7|193|191

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID20871158
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    3.3809    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20871158

> <Analog_DSSTox_Structure_Id>
DTXCID10818830

> <Analog_Original_SMILES>
CCCCCCC(Br)CBr

> <Analog_Canonical_QSARr>
CCCCCCC(Br)CBr

> <Analog_CASRN>
NOCAS_871158

> <Analog_preferred_name>
CERAPP_57817

> <Analog - index>
51|70|70|173|21|15

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.875|0.9|0.9230769230769231

$$$$
DTXSID20872640
  Mrv1813 07271812472D          

 23 22  0  0  0  0            999 V2000
   -7.5019   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5020   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20872640

> <Analog_DSSTox_Structure_Id>
DTXCID50820290

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCC(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCC(C)Cl

> <Analog_CASRN>
71662-62-9

> <Analog_preferred_name>
2-Chlorodocosane

> <Analog - index>
105|105|41|28

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID20874144
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    0.5992    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    0.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157    0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758   -0.7156    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2149   -0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220   -2.4150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0136   -2.1509    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9996    0.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7435    0.7813    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1104    0.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4647    1.5709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    0.1553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4960   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4263   -1.2234    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098   -0.3930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7922    0.5446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2412    1.3609    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16  6  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20874144

> <Analog_DSSTox_Structure_Id>
DTXCID301012277

> <Analog_Original_SMILES>
ClC1C2(C(Cl)Cl)C(CCl)(C(CC2(Cl)Cl)C1(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1C2(C(Cl)Cl)C(CCl)(C(CC2(Cl)Cl)C1(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
8|8|194|192

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID20874149
  Mrv1813 07271812472D          

 19 20  0  0  0  0            999 V2000
    0.2398    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579    2.6165    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    2.4770    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5563    0.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332   -0.9479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8555   -0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401    0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    0.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2219    0.5579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431    0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503    1.6124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1365   -0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2186   -1.2956    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488   -0.8304    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1218    1.2102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.3448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  9  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20874149

> <Analog_DSSTox_Structure_Id>
DTXCID401012282

> <Analog_Original_SMILES>
ClC(Cl)C12CC(Cl)(Cl)C(C(Cl)C1(Cl)Cl)C2(CCl)CCl

> <Analog_Canonical_QSARr>
ClC(Cl)C12CC(Cl)(Cl)C(C(Cl)C1(Cl)Cl)C2(CCl)CCl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
9|9|195|193

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID20878960
  Mrv1813 07271812472D          

  8  9  0  0  0  0            999 V2000
    0.1119   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1119    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553    0.9543    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID20878960

> <Analog_DSSTox_Structure_Id>
DTXCID901016984

> <Analog_Original_SMILES>
Br[C@H]1C[C@H]2C[C@@H]1CC2

> <Analog_Canonical_QSARr>
BrC1CC2CC1CC2

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
202|210|210|212|212|207

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID30152364
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    4.3491   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3491    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3491    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3491   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30152364

> <Analog_DSSTox_Structure_Id>
DTXCID4074855

> <Analog_Original_SMILES>
BrC1C=C(Br)C(Br)=C(C=1)C1C(Br)=C(Br)C=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(Br)=C(C=1)C1C(Br)=C(Br)C=CC=1Br

> <Analog_CASRN>
119264-51-6

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',5,6'-hexabromo-

> <Analog - index>
43|44|25|41|3|20|22

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8380952380952381|0.8301886792452831|0.9150943396226415|0.8571428571428571|0.9292929292929293|0.9142857142857143|0.8942307692307693

$$$$
DTXSID30152369
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    4.3574   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30152369

> <Analog_DSSTox_Structure_Id>
DTXCID3074860

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=1

> <Analog_CASRN>
119264-56-1

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4,4',6,6'-heptabromo-

> <Analog - index>
51|48

> <OFR_ID>
25|29

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL

> <OFR_CASRN>
67733-52-2|59080-40-9

> <similarity>
0.8061224489795918|0.8163265306122449

$$$$
DTXSID30153093
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    4.3490    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30153093

> <Analog_DSSTox_Structure_Id>
DTXCID4075584

> <Analog_Original_SMILES>
BrC1C=C(C2C=C(Br)C=C(Br)C=2)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C=C(Br)C=C(Br)C=2)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
120991-48-2

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,3',4,5,5'-hexabromo-

> <Analog - index>
3|52|58|63|3

> <OFR_ID>
23|32|40|43|47

> <OFR_DTXSID>
-|DTXSID50218113|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|?|?|?

> <OFR_CASRN>
-|67888-96-4|-|115245-07-3|69278-62-2

> <similarity>
0.8888888888888888|0.8301886792452831|0.8113207547169812|0.8076923076923077|0.8777777777777778

$$$$
DTXSID30162600
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    4.5078    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.9529    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.7779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  2 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30162600

> <Analog_DSSTox_Structure_Id>
DTXCID9085091

> <Analog_Original_SMILES>
OC1=CC(Br)=C(Br)C=C1Br

> <Analog_Canonical_QSARr>
OC1=CC(Br)=C(Br)C=C1Br

> <Analog_CASRN>
14401-61-7

> <Analog_preferred_name>
Phenol, 2,4,5-tribromo-

> <Analog - index>
15

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8095238095238095

$$$$
DTXSID30192684
  Mrv1813 07271812442D          

 14 14  0  0  0  0            999 V2000
    4.5078    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 10  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30192684

> <Analog_DSSTox_Structure_Id>
DTXCID70115175

> <Analog_Original_SMILES>
ClCC1=C(Br)C(Br)=C(CCl)C(Br)=C1Br

> <Analog_Canonical_QSARr>
ClCC1=C(Br)C(Br)=C(CCl)C(Br)=C1Br

> <Analog_CASRN>
39568-98-4

> <Analog_preferred_name>
1,2,4,5-Tetrabromo-3,6-bis(chloromethyl)benzene

> <Analog - index>
1

> <OFR_ID>
121

> <OFR_DTXSID>
DTXSID70728087

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4,5-pentabromo-6-(chloromethyl)-

> <OFR_CASRN>
58495-09-3

> <similarity>
0.8524590163934426

$$$$
DTXSID30199214
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    4.1268    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4123   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4123   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1268   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30199214

> <Analog_DSSTox_Structure_Id>
DTXCID60121705

> <Analog_Original_SMILES>
BrC1C(Br)=C(C=CC=1Br)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C(Br)=C(C=CC=1Br)C1C=CC=CC=1

> <Analog_CASRN>
51202-79-0

> <Analog_preferred_name>
1,2,3-Tribromo-4-phenylbenzene

> <Analog - index>
41|40|13|24|28|17|8|0

> <OFR_ID>
25|29|32|33|34|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|-|115245-07-3

> <similarity>
0.839622641509434|0.8490566037735849|0.9339622641509434|0.8761904761904762|0.801980198019802|0.8737864077669902|0.9519230769230769|0.99

$$$$
DTXSID3020415
  Mrv1813 07271812442D          

  4  3  0  0  0  0            999 V2000
    2.1020   -0.5628    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8645    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0395    0.1517    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3020415

> <Analog_DSSTox_Structure_Id>
DTXCID10415

> <Analog_Original_SMILES>
BrCCBr

> <Analog_Canonical_QSARr>
BrCCBr

> <Analog_CASRN>
106-93-4

> <Analog_preferred_name>
1,2-Dibromoethane

> <Analog - index>
0|1

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
1.0|0.9090909090909091

$$$$
DTXSID30214476
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30214476

> <Analog_DSSTox_Structure_Id>
DTXCID30136967

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1C1C=CC(Br)=CC=1

> <Analog_CASRN>
64258-02-2

> <Analog_preferred_name>
1,1'-Biphenyl, 2,4,4',6-tetrabromo-

> <Analog - index>
58|11

> <OFR_ID>
33|45

> <OFR_DTXSID>
DTXSID9074771|DTXSID1059072

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
59080-39-6|92-86-4

> <similarity>
0.826530612244898|0.8292682926829268

$$$$
DTXSID30216314
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.3292   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30216314

> <Analog_DSSTox_Structure_Id>
DTXCID30138805

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(C=C1)C1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(C=C1)C1C=CC(Br)=CC=1Br

> <Analog_CASRN>
66115-57-9

> <Analog_preferred_name>
2,4-Dibromo-1-(2,4-dibromophenyl)benzene

> <Analog - index>
50|46|57|10

> <OFR_ID>
25|29|33|45

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID9074771|DTXSID1059072

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|59080-39-6|92-86-4

> <similarity>
0.8080808080808081|0.8181818181818182|0.8282828282828283|0.8313253012048193

$$$$
DTXSID30218116
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.5078   -0.5958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    1.8792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.7042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.8792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.2458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.0708    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30218116

> <Analog_DSSTox_Structure_Id>
DTXCID50140607

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C=C1C1C=C(Br)C(Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C=C1C1C=C(Br)C(Br)=C(Br)C=1

> <Analog_CASRN>
67888-99-7

> <Analog_preferred_name>
2,3',4,4'5,5'-Hexabromobiphenyl

> <Analog - index>
9|5|8|32|43|10|14|40|40|10

> <OFR_ID>
23|25|29|32|33|34|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.84375|0.9690721649484536|0.9591836734693877|0.8962264150943396|0.8557692307692307|0.8541666666666666|0.8247422680412371|0.8773584905660378|0.8571428571428571|0.8333333333333334

$$$$
DTXSID3021938
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    0.0017   -0.0454    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7174   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3021938

> <Analog_DSSTox_Structure_Id>
DTXCID001938

> <Analog_Original_SMILES>
CCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCBr

> <Analog_CASRN>
111-83-1

> <Analog_preferred_name>
1-Bromooctane

> <Analog - index>
137|158|158|141|50|44

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID30221327
  Mrv1813 07271812452D          

  8  8  0  0  0  0            999 V2000
    1.8340    1.1204    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946    1.1204    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -1.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30221327

> <Analog_DSSTox_Structure_Id>
DTXCID30143818

> <Analog_Original_SMILES>
ClC1(Br)CCCCC1

> <Analog_Canonical_QSARr>
ClC1(Br)CCCCC1

> <Analog_CASRN>
71121-39-6

> <Analog_preferred_name>
Cyclohexane, bromochloro-

> <Analog - index>
11

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8222222222222222

$$$$
DTXSID30225062
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078   -0.8493    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    1.6257    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4507    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.6257    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3243    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30225062

> <Analog_DSSTox_Structure_Id>
DTXCID30147553

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(C=C1)C1=CC(Br)=C(Br)C(Br)=C1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(C=C1)C1=CC(Br)=C(Br)C(Br)=C1

> <Analog_CASRN>
74114-77-5

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3',4,4',5'-pentabromo-

> <Analog - index>
18|13|14|38|38|8|12|37|38|22

> <OFR_ID>
23|25|29|32|33|34|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.8144329896907216|0.9387755102040817|0.9292929292929293|0.8867924528301887|0.8640776699029126|0.8631578947368421|0.8333333333333334|0.8857142857142857|0.8653846153846154|0.8041237113402062

$$$$
DTXSID30230752
  Mrv1813 07271812452D          

 14 16  0  0  0  0            999 V2000
    2.6976   -1.1197    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6975   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -0.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    0.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1470    1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1470    2.0680    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8826    0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8826    0.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1470   -0.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5252   -0.9850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -1.0660    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4331   -0.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975    0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 14  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 13  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30230752

> <Analog_DSSTox_Structure_Id>
DTXCID60153243

> <Analog_Original_SMILES>
BrC1(Br)C2CC3(Br)CC(Br)(CC1C3)C2

> <Analog_Canonical_QSARr>
BrC1(Br)C2CC3(Br)CC(Br)(CC1C3)C2

> <Analog_CASRN>
80859-69-4

> <Analog_preferred_name>
Tricyclo(3.3.1.13,7)decane, 1,3,6,6-tetrabromo-

> <Analog - index>
181|7|7|4|6|22

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8809523809523809|0.9285714285714286|0.9285714285714286|0.9512195121951219|0.9285714285714286|0.9047619047619048

$$$$
DTXSID30232039
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.1903    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30232039

> <Analog_DSSTox_Structure_Id>
DTXCID80154530

> <Analog_Original_SMILES>
BrC1C=CC(C2C=C(Br)C=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(C2C=C(Br)C=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_CASRN>
82865-90-5

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',4,5'-hexabromo-

> <Analog - index>
23|27|3|14|15|6|15

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8952380952380953|0.8867924528301887|0.9716981132075472|0.8962264150943396|0.8761904761904762|0.9528301886792453|0.9150943396226415

$$$$
DTXSID30233263
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.3292   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.6813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -3.0937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30233263

> <Analog_DSSTox_Structure_Id>
DTXCID30155754

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(C=C1)C1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(C=C1)C1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
84303-45-7

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3',4,4'-tetrabromo-

> <Analog - index>
10|9|28|22|13|44|9|28|30

> <OFR_ID>
25|29|32|33|34|37|39|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|DTXSID4074770|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|77102-82-0|-|115245-07-3

> <similarity>
0.9393939393939394|0.9494949494949495|0.9056603773584906|0.883495145631068|0.845360824742268|0.8095238095238095|0.8350515463917526|0.9047619047619048|0.8846153846153846

$$$$
DTXSID30237261
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
  4 10  2  0  0  0  0
 11  3  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30237261

> <Analog_DSSTox_Structure_Id>
DTXCID30159752

> <Analog_Original_SMILES>
ClC1=C(C2=CC=CC=C2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
ClC1=C(C2=CC=CC=C2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
88703-30-4

> <Analog_preferred_name>
1,1'-Biphenyl, pentabromochloro-

> <Analog - index>
60

> <OFR_ID>
40

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8032786885245902

$$$$
DTXSID3024233
  Mrv1813 07271812442D          

 22 23  0  0  0  0            999 V2000
    0.7145    2.0638    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8888    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0638    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4138    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4112    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0612    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8862    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0612    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4112    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
 13 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3024233

> <Analog_DSSTox_Structure_Id>
DTXCID904233

> <Analog_Original_SMILES>
BrC1=C(OC2C=C(Br)C(Br)=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(OC2C=C(Br)C(Br)=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
63936-56-1

> <Analog_preferred_name>
Nonabromodiphenyl ether

> <Analog - index>
0|27|19|21|31|38

> <OFR_ID>
24|26|27|30|31|36

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.9875|0.8387096774193549|0.8681318681318682|0.8478260869565217|0.8279569892473119|0.8125

$$$$
DTXSID30242678
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.3292   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  5 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
  2 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30242678

> <Analog_DSSTox_Structure_Id>
DTXCID60165169

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1Br)C1C=C(Br)C=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1Br)C1C=C(Br)C=C(Br)C=1

> <Analog_CASRN>
97038-98-7

> <Analog_preferred_name>
1,1'-Biphenyl, 3,3',4,5'-tetrabromo-

> <Analog - index>
53|2|4|59|47|38

> <OFR_ID>
32|34|39|40|43|46

> <OFR_DTXSID>
DTXSID50218113|-|DTXSID4074770|-|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?|?

> <OFR_CASRN>
67888-96-4|-|77102-82-0|-|115245-07-3|92-66-0

> <similarity>
0.8301886792452831|0.9213483146067416|0.8888888888888888|0.8113207547169812|0.8431372549019608|0.8

$$$$
DTXSID3024657
  Mrv1813 07271812442D          

  5  4  0  0  0  0            999 V2000
    2.5848   -1.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9348    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1098    0.3245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3024657

> <Analog_DSSTox_Structure_Id>
DTXCID904657

> <Analog_Original_SMILES>
OCCCBr

> <Analog_Canonical_QSARr>
OCCCBr

> <Analog_CASRN>
627-18-9

> <Analog_preferred_name>
3-Bromo-1-propanol

> <Analog - index>
7

> <OFR_ID>
102

> <OFR_DTXSID>
DTXSID9024641

> <OFR_PREFERRED_NAME>
3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
1522-92-5

> <similarity>
0.8518518518518519

$$$$
DTXSID3027536
  Mrv1813 07271812442D          

 19 18  0  0  0  0            999 V2000
    0.6523   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0812   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5101   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9391   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6536   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7970   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2259   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3693   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0838   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7983   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622   -0.4158    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3027536

> <Analog_DSSTox_Structure_Id>
DTXCID007536

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
3386-33-2

> <Analog_preferred_name>
Octadecyl chloride

> <Analog - index>
106|106|42|29

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID3027580
  Mrv1813 07271812442D          

 17 16  0  0  0  0            999 V2000
    0.8067    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5211   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9501   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8080   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5224    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2369   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9514    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3803    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0948   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8093    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5237   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0922   -0.3968    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3027580

> <Analog_DSSTox_Structure_Id>
DTXCID107580

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
4860-03-1

> <Analog_preferred_name>
1-Chlorohexadecane

> <Analog - index>
107|107|43|30

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID30276014
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    5.4628   -0.8447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6378   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6378   -0.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9234    0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9234    1.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    1.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6378   -1.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3523   -2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30276014

> <Analog_DSSTox_Structure_Id>
DTXCID60227372

> <Analog_Original_SMILES>
CCC(C)(Cl)CCCC(C)C

> <Analog_Canonical_QSARr>
CCC(C)(Cl)CCCC(C)C

> <Analog_CASRN>
5538-38-5

> <Analog_preferred_name>
Octane, 6-chloro-2,6-dimethyl-

> <Analog - index>
227|223

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID30276074
  Mrv1813 07271812452D          

 15 14  0  0  0  0            999 V2000
    5.9368    1.0037    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.0588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1787    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    1.0037    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0802   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    0.1787    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30276074

> <Analog_DSSTox_Structure_Id>
DTXCID90227426

> <Analog_Original_SMILES>
CC(Br)CCCC(Cl)C(Br)CC(Br)CCl

> <Analog_Canonical_QSARr>
CC(Br)CCCC(Cl)C(Br)CC(Br)CCl

> <Analog_CASRN>
69489-87-8

> <Analog_preferred_name>
2,4,9-tribromo-1,5-dichlorodecane

> <Analog - index>
14

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8113207547169812

$$$$
DTXSID30280878
  Mrv1813 07271812452D          

 10 10  0  0  0  0            999 V2000
    1.9358   -2.5163    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9358   -1.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503   -1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503   -0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3647   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3647    0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    2.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30280878

> <Analog_DSSTox_Structure_Id>
DTXCID10232032

> <Analog_Original_SMILES>
CC1CCC(CCBr)CC1

> <Analog_Canonical_QSARr>
CC1CCC(CCBr)CC1

> <Analog_CASRN>
5452-69-7

> <Analog_preferred_name>
1-(2-bromoethyl)-4-methylcyclohexane

> <Analog - index>
138|159|159|142|51|45

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID30285984
  Mrv1813 07271812452D          

 15 15  0  0  0  0            999 V2000
    5.3653    0.4537    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3653   -0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508   -0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363   -0.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219   -0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219   -1.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784   -0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929   -0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0797   -0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7942   -0.3713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
  7 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30285984

> <Analog_DSSTox_Structure_Id>
DTXCID20237134

> <Analog_Original_SMILES>
CC1=CC=CC=C1C(=O)OCC(Br)CBr

> <Analog_Canonical_QSARr>
CC1=CC=CC=C1C(=O)OCC(Br)CBr

> <Analog_CASRN>
6308-16-3

> <Analog_preferred_name>
2,3-dibromopropyl 2-methylbenzoate

> <Analog - index>
0

> <OFR_ID>
53

> <OFR_DTXSID>
DTXSID30864056

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
7415-86-3

> <similarity>
0.8614457831325302

$$$$
DTXSID30288016
  Mrv1813 07271812452D          

 29 28  0  0  0  0            999 V2000
    1.6476    0.1920    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0766    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5055    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2200   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9345    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6489   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3634    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0779   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7924    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5068   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2213    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9358   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6502    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3647   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7937   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5081    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2226   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9371    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6515   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3660    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0805   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7950    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5094   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2239    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9384   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6528    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30288016

> <Analog_DSSTox_Structure_Id>
DTXCID70239163

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
16331-21-8

> <Analog_preferred_name>
1-Bromooctacosane

> <Analog - index>
52|71|71|55|106|104

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID30306688
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    3.2215   -2.0007    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8964   -1.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845   -1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076   -0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0817   -0.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390    0.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2728    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6065    1.7204    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0272    0.6321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5183    1.2997    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2878   -0.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333   -0.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30306688

> <Analog_DSSTox_Structure_Id>
DTXCID00257815

> <Analog_Original_SMILES>
ClC1C2CC3C1C3C2C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1C2CC3C1C3C2C(Cl)(Cl)Cl

> <Analog_CASRN>
90638-71-4

> <Analog_preferred_name>
3-Chloro-5-(trichloromethyl)tricyclo[2.2.1.0~2,6~]heptane

> <Analog - index>
36|36|201|66

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.875|0.9230769230769231

$$$$
DTXSID30309255
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    4.2609    2.0994    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7306    1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0128    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825    0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7680   -0.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7680   -1.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825   -1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1970   -1.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1970   -0.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9522    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1397    0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6094    1.1809    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30309255

> <Analog_DSSTox_Structure_Id>
DTXCID20260381

> <Analog_Original_SMILES>
BrCCC1(CCBr)CCCCC1

> <Analog_Canonical_QSARr>
BrCCC1(CCBr)CCCCC1

> <Analog_CASRN>
3187-34-6

> <Analog_preferred_name>
1,1-Bis(2-bromoethyl)-cyclohexane

> <Analog - index>
168|72|72|56|22|16

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8974358974358975|0.9|0.9|0.9230769230769231|0.9|0.9230769230769231

$$$$
DTXSID30339572
  Mrv1813 07271812452D          

  8  9  0  0  0  0            999 V2000
    1.0314    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8564    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30339572

> <Analog_DSSTox_Structure_Id>
DTXCID70290653

> <Analog_Original_SMILES>
ClC1C2CCCCC21

> <Analog_Canonical_QSARr>
ClC1C2CCCCC21

> <Analog_CASRN>
1588-50-7

> <Analog_preferred_name>
7-Chlorobicyclo[4.1.0]heptane

> <Analog - index>
228|224

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID30340522
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    3.6091    1.1181    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.4861    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30340522

> <Analog_DSSTox_Structure_Id>
DTXCID50291603

> <Analog_Original_SMILES>
CC1(Br)CCCCC1Br

> <Analog_Canonical_QSARr>
CC1(Br)CCCCC1Br

> <Analog_CASRN>
56860-91-4

> <Analog_preferred_name>
1,2-Dibromo-1-methyl-cyclohexane

> <Analog - index>
195|187|187|50|175|172

> <OFR_ID>
2|4|19|113|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID4052687|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|?|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1837-91-8|3322-93-8|3194-57-8

> <similarity>
0.8461538461538461|0.85|0.85|0.8108108108108109|0.85|0.8717948717948718

$$$$
DTXSID30341418
  Mrv1813 07271812452D          

 10 10  0  0  0  0            999 V2000
    3.3222   -0.9767    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6902   -0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582   -0.9767    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1027    0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2461    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9606    0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777    0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  4  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30341418

> <Analog_DSSTox_Structure_Id>
DTXCID10292499

> <Analog_Original_SMILES>
CCCCCC1CC1(Br)Br

> <Analog_Canonical_QSARr>
CCCCCC1CC1(Br)Br

> <Analog_CASRN>
6519-43-3

> <Analog_preferred_name>
Cyclopropane, 1,1-dibromo-2-pentyl-

> <Analog - index>
139|160|160|143|52|46

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID30383611
  Mrv1813 07271812462D          

 14 16  0  0  0  0            999 V2000
    5.3839    0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839   -0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1391    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1391   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7572    0.4732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7572   -0.4732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30383611

> <Analog_DSSTox_Structure_Id>
DTXCID00334635

> <Analog_Original_SMILES>
BrC1(Br)C2CCC3C(CCC12)C3(Br)Br

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCC3C(CCC12)C3(Br)Br

> <Analog_CASRN>
4277-22-9

> <Analog_preferred_name>
5,5,10,10-Tetrabromotricyclo[7.1.0.0~4,6~]decane

> <Analog - index>
163|30|30|16|14|66

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9|0.9024390243902439|0.9024390243902439|0.925|0.9024390243902439|0.8780487804878049

$$$$
DTXSID3038725
  Mrv1813 07271812442D          

 15 14  0  0  0  0            999 V2000
    0.8116   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2405   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0984   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8129   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5273   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2418   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9563   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6707   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0997   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -0.4149    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3038725

> <Analog_DSSTox_Structure_Id>
DTXCID1018725

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCBr

> <Analog_CASRN>
112-71-0

> <Analog_preferred_name>
1-Bromotetradecane

> <Analog - index>
53|73|73|57|107|105

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID30400857
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    8.7941   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.7941   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30400857

> <Analog_DSSTox_Structure_Id>
DTXCID10351712

> <Analog_Original_SMILES>
CCCCCCCCCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Br)C(=O)OC

> <Analog_CASRN>
617-60-7

> <Analog_preferred_name>
methyl 2-bromododecanoate

> <Analog - index>
18

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8235294117647058

$$$$
DTXSID30420136
  Mrv1813 07271812462D          

 17 19  0  0  0  0            999 V2000
    1.6590   -1.4580    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3734   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879   -1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6603    1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3747    1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3747    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6603   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169    1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3734   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
  6 15  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30420136

> <Analog_DSSTox_Structure_Id>
DTXCID10370983

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1=CC2=CC=CC=C2C=C1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1=CC2=CC=CC=C2C=C1

> <Analog_CASRN>
22082-99-1

> <Analog_preferred_name>
2-(4-bromophenyl)naphthalene

> <Analog - index>
4|2

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8518518518518519|0.9135802469135802

$$$$
DTXSID30439884
  Mrv1813 07271812462D          

  6  5  0  0  0  0            999 V2000
    3.0788   -1.2227    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4913   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30439884

> <Analog_DSSTox_Structure_Id>
DTXCID50390706

> <Analog_Original_SMILES>
C[C@H](CO)CBr

> <Analog_Canonical_QSARr>
CC(CO)CBr

> <Analog_CASRN>
93381-28-3

> <Analog_preferred_name>
(R)-(-)-3-Bromo-2-methyl-1-propanol

> <Analog - index>
8

> <OFR_ID>
102

> <OFR_DTXSID>
DTXSID9024641

> <OFR_PREFERRED_NAME>
3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
1522-92-5

> <similarity>
0.8518518518518519

$$$$
DTXSID30450756
  Mrv1813 07271812462D          

  6  5  0  0  0  0            999 V2000
    3.0788   -1.2227    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4913   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30450756

> <Analog_DSSTox_Structure_Id>
DTXCID80401576

> <Analog_Original_SMILES>
C[C@@H](CO)CBr

> <Analog_Canonical_QSARr>
CC(CO)CBr

> <Analog_CASRN>
98244-48-5

> <Analog_preferred_name>
(S)-(+)-3-Bromo-2-methyl-1-propanol

> <Analog - index>
9

> <OFR_ID>
102

> <OFR_DTXSID>
DTXSID9024641

> <OFR_PREFERRED_NAME>
3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
1522-92-5

> <similarity>
0.8518518518518519

$$$$
DTXSID30451985
  Mrv1813 07271812462D          

 22 23  0  0  0  0            999 V2000
    2.1316   -0.3872    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027   -0.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027    2.0878    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    2.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    2.9128    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552    2.0878    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262   -0.3872    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -0.8859    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262   -2.0372    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7027   -2.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027   -2.8622    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -1.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -2.0372    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  3  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  2  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30451985

> <Analog_DSSTox_Structure_Id>
DTXCID60402804

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C(Br)=C1OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C(Br)=C1OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
437701-79-6

> <Analog_preferred_name>
BDE No 207 solution

> <Analog - index>
30|22|23|27|46

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8279569892473119|0.8571428571428571|0.8369565217391305|0.8369565217391305|0.8020833333333334

$$$$
DTXSID30456339
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.2227   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30456339

> <Analog_DSSTox_Structure_Id>
DTXCID20407158

> <Analog_Original_SMILES>
CCCCCC(Br)CCCCBr

> <Analog_Canonical_QSARr>
CCCCCC(Br)CCCCBr

> <Analog_CASRN>
102942-65-4

> <Analog_preferred_name>
Decane, 1,5-dibromo-

> <Analog - index>
122|15|15|7|33|27

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9230769230769231|0.925|0.925|0.9487179487179487|0.8780487804878049|0.9

$$$$
DTXSID30471981
  Mrv1813 07271812462D          

 19 20  0  0  0  0            999 V2000
    5.7113    0.0760    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9968   -0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    0.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    2.5510    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1389    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4245    2.5510    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1389    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679   -0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8534   -1.5740    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -1.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -2.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9968   -2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9968   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 16  2  0  0  0  0
  2 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30471981

> <Analog_DSSTox_Structure_Id>
DTXCID90422797

> <Analog_Original_SMILES>
COC1=CC(Br)=C(C=C1Br)OC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
COC1=CC(Br)=C(C=C1Br)OC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
602326-26-1

> <Analog_preferred_name>
Benzene, 1,4-dibromo-2-(2,4-dibromophenoxy)-5-methoxy-

> <Analog - index>
45

> <OFR_ID>
36

> <OFR_DTXSID>
DTXSID9030048

> <OFR_PREFERRED_NAME>
PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
60348-60-9

> <similarity>
0.8034188034188035

$$$$
DTXSID30484718
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    2.0305   -1.4510    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2855   -0.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701   -0.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7151    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5194    0.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774    0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5194   -0.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7151   -0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2855    0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8006    0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30484718

> <Analog_DSSTox_Structure_Id>
DTXCID30435528

> <Analog_Original_SMILES>
BrC1C=CC2=CC=CC=CC2=1

> <Analog_Canonical_QSARr>
BrC1C=CC2=CC=CC=CC2=1

> <Analog_CASRN>
61035-76-5

> <Analog_preferred_name>
Azulene, 1-bromo-

> <Analog - index>
30

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8131868131868132

$$$$
DTXSID3049255
  Mrv1813 07271812442D          

 10  9  0  0  0  0            999 V2000
   -0.0067   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1367   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8512   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2801   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9946   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7091   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4235   -0.0022    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3049255

> <Analog_DSSTox_Structure_Id>
DTXCID2029111

> <Analog_Original_SMILES>
CCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCl

> <Analog_CASRN>
2473-01-0

> <Analog_preferred_name>
Nonane,1-chloro-

> <Analog - index>
108|108|44|31

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID30496699
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    4.1052    0.5954    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6927   -0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9783    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638   -0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4072   -0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1217   -0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802   -0.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -0.8335    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30496699

> <Analog_DSSTox_Structure_Id>
DTXCID70447509

> <Analog_Original_SMILES>
CCC(Br)(CCC)CBr

> <Analog_Canonical_QSARr>
CCC(Br)(CCC)CBr

> <Analog_CASRN>
66567-12-2

> <Analog_preferred_name>
3-Bromo-3-(bromomethyl)hexane

> <Analog - index>
44

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8181818181818182

$$$$
DTXSID30501530
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    3.4445    0.4883    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8925   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800   -1.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050   -1.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599   -0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    1.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433    1.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5335    0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30501530

> <Analog_DSSTox_Structure_Id>
DTXCID20452340

> <Analog_Original_SMILES>
COC(=O)C1(Br)CCCC1

> <Analog_Canonical_QSARr>
COC(=O)C1(Br)CCCC1

> <Analog_CASRN>
51572-54-4

> <Analog_preferred_name>
Methyl 1-bromocyclopentane-1-carboxylate

> <Analog - index>
0

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.9714285714285714

$$$$
DTXSID30514625
  Mrv1813 07271812462D          

  4  3  0  0  0  0            999 V2000
    3.7526   -0.3572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    0.3572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30514625

> <Analog_DSSTox_Structure_Id>
DTXCID40465432

> <Analog_Original_SMILES>
Br[13CH2][13CH2]Br

> <Analog_Canonical_QSARr>
BrCCBr

> <Analog_CASRN>
33458-49-0

> <Analog_preferred_name>
1,2-Dibromo(~13~C_2_)ethane

> <Analog - index>
1|2

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
1.0|0.9090909090909091

$$$$
DTXSID3051543
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    0.7109   -2.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -3.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -0.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -0.0126    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3051543

> <Analog_DSSTox_Structure_Id>
DTXCID4030095

> <Analog_Original_SMILES>
OC1=CC=C(Br)C=C1

> <Analog_Canonical_QSARr>
OC1=CC=C(Br)C=C1

> <Analog_CASRN>
106-41-2

> <Analog_preferred_name>
4-Bromophenol

> <Analog - index>
1

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.9107142857142857

$$$$
DTXSID30522987
  Mrv1813 07271812462D          

 12 13  0  0  0  0            999 V2000
    2.8971    2.4904    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2327    1.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478    1.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833    0.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833   -0.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478   -1.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9273   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -2.1029    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8679   -0.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3529   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8679    0.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30522987

> <Analog_DSSTox_Structure_Id>
DTXCID80473793

> <Analog_Original_SMILES>
BrCCC12CC1(CCBr)CCC2

> <Analog_Canonical_QSARr>
BrCCC12CC1(CCBr)CCC2

> <Analog_CASRN>
88298-03-7

> <Analog_preferred_name>
1,5-Bis(2-bromoethyl)bicyclo[3.1.0]hexane

> <Analog - index>
164|31|31|17|15|67

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9|0.9024390243902439|0.9024390243902439|0.925|0.9024390243902439|0.8780487804878049

$$$$
DTXSID30526086
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.6501    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30526086

> <Analog_DSSTox_Structure_Id>
DTXCID90476891

> <Analog_Original_SMILES>
CC(C)CCCC(C)CBr

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CBr

> <Analog_CASRN>
51979-43-2

> <Analog_preferred_name>
1-Bromo-2,6-dimethylheptane

> <Analog - index>
203|211|211|213|213|208

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID30542145
  Mrv1813 07271812462D          

 10 11  0  0  0  0            999 V2000
    1.4513   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9816   -0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4513    0.5495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6960   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30542145

> <Analog_DSSTox_Structure_Id>
DTXCID50492931

> <Analog_Original_SMILES>
CC1CCCC2C1C2(Br)Br

> <Analog_Canonical_QSARr>
CC1CCCC2C1C2(Br)Br

> <Analog_CASRN>
101183-79-3

> <Analog_preferred_name>
7,7-Dibromo-2-methylbicyclo[4.1.0]heptane

> <Analog - index>
140|161|161|144|53|47

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID30546724
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    0.2211   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30546724

> <Analog_DSSTox_Structure_Id>
DTXCID10497508

> <Analog_Original_SMILES>
CCCCCC1CCC(Br)CC1

> <Analog_Canonical_QSARr>
CCCCCC1CCC(Br)CC1

> <Analog_CASRN>
203132-72-3

> <Analog_preferred_name>
1-Bromo-4-pentylcyclohexane

> <Analog - index>
54|74|74|58|108|106

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID30554925
  Mrv1813 07271812462D          

 33 36  0  0  0  0            999 V2000
    8.8381   -1.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1237   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4092   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4092   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4092    1.2750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1237    2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1237    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8381    3.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.4092    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2658    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2658    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224   -1.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513   -3.6750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2658   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2658   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4092   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4092   -3.6750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1237   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
  9 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 20 27  1  0  0  0  0
 28 18  1  0  0  0  0
  5 28  2  0  0  0  0
 29  3  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 31  2  0  0  0  0
  2 33  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30554925

> <Analog_DSSTox_Structure_Id>
DTXCID60505708

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(C=C1)OC1N=C(N=C(N=1)OC1C=CC(Br)=CC=1Br)OC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(C=C1)OC1N=C(N=C(N=1)OC1C=CC(Br)=CC=1Br)OC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
114567-97-4

> <Analog_preferred_name>
2,4,6-Tris(2,4-dibromophenoxy)-1,3,5-triazine

> <Analog - index>
0

> <OFR_ID>
91

> <OFR_DTXSID>
DTXSID0058695

> <OFR_PREFERRED_NAME>
1,3,5-Triazine, 2,4,6-tris(2,4,6-tribromophenoxy)-

> <OFR_CASRN>
25713-60-4

> <similarity>
0.8803418803418803

$$$$
DTXSID30560925
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.3713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30560925

> <Analog_DSSTox_Structure_Id>
DTXCID60511703

> <Analog_Original_SMILES>
CCCCCCC(C)CBr

> <Analog_Canonical_QSARr>
CCCCCCC(C)CBr

> <Analog_CASRN>
127839-46-7

> <Analog_preferred_name>
1-Bromo-2-methyloctane

> <Analog - index>
141|162|162|145|54|48

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID30568446
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    1.6499   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30568446

> <Analog_DSSTox_Structure_Id>
DTXCID20519220

> <Analog_Original_SMILES>
CCCC1CCC(CCBr)CC1

> <Analog_Canonical_QSARr>
CCCC1CCC(CCBr)CC1

> <Analog_CASRN>
105076-41-3

> <Analog_preferred_name>
1-(2-Bromoethyl)-4-propylcyclohexane

> <Analog - index>
55|75|75|59|109|107

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID30568800
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    4.4064    2.3508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9939    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064    0.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9939    0.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064   -0.5071    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189   -1.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064   -1.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189   -2.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6919   -0.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6919   -1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9774   -2.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1208   -0.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30568800

> <Analog_DSSTox_Structure_Id>
DTXCID30519574

> <Analog_Original_SMILES>
CC(Br)COP(=O)(OCC)OCC

> <Analog_Canonical_QSARr>
CC(Br)COP(=O)(OCC)OCC

> <Analog_CASRN>
56436-87-4

> <Analog_preferred_name>
2-Bromopropyl diethyl phosphate

> <Analog - index>
4

> <OFR_ID>
136

> <OFR_DTXSID>
DTXSID5021413

> <OFR_PREFERRED_NAME>
TRIS(2,3-DIBROMOPROPYL) PHOSPHATE

> <OFR_CASRN>
126-72-7

> <similarity>
0.821917808219178

$$$$
DTXSID30583917
  Mrv1813 07271812462D          

  3  2  0  0  0  0            999 V2000
    1.6501   -0.0688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30583917

> <Analog_DSSTox_Structure_Id>
DTXCID90534682

> <Analog_Original_SMILES>
[13CH3][13CH2]Br

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
34189-75-8

> <Analog_preferred_name>
Bromo(~13~C_2_)ethane

> <Analog - index>
9|10

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID30584368
  Mrv1813 07271812462D          

 14 15  0  0  0  0            999 V2000
    4.2364   -2.2782    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    2.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    2.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  7 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30584368

> <Analog_DSSTox_Structure_Id>
DTXCID30535133

> <Analog_Original_SMILES>
[2H]C1=C(OC2C=CC(Br)=CC=2)C([2H])=C([2H])C([2H])=C1[2H]

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)OC1C=CC=CC=1

> <Analog_CASRN>
93951-83-8

> <Analog_preferred_name>
1-Bromo-4-[(~2~H_5_)phenyloxy]benzene

> <Analog - index>
19|18|15

> <OFR_ID>
35|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|5436-43-1|41318-75-6

> <similarity>
0.8045977011494253|0.8160919540229885|0.8255813953488372

$$$$
DTXSID3058826
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    3.5723   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  8 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  2  0  0  0  0
  2 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3058826

> <Analog_DSSTox_Structure_Id>
DTXCID4048143

> <Analog_Original_SMILES>
CC(C)(C1=CC(Cl)=C(O)C=C1)C1C=C(Cl)C(O)=CC=1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Cl)=C(O)C=C1)C1C=C(Cl)C(O)=CC=1

> <Analog_CASRN>
79-98-1

> <Analog_preferred_name>
Phenol, 4,4'-(1-methylethylidene)bis[2-chloro-

> <Analog - index>
2

> <OFR_ID>
61

> <OFR_DTXSID>
DTXSID3021770

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
79-95-8

> <similarity>
0.8253968253968254

$$$$
DTXSID30598945
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    3.9776    1.1135    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0382    1.1135    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4815    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.7560    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30598945

> <Analog_DSSTox_Structure_Id>
DTXCID20549704

> <Analog_Original_SMILES>
BrC(Br)CC1CCCCC1(Br)Br

> <Analog_Canonical_QSARr>
BrC(Br)CC1CCCCC1(Br)Br

> <Analog_CASRN>
30262-02-3

> <Analog_preferred_name>
1,1-Dibromo-2-(2,2-dibromoethyl)cyclohexane

> <Analog - index>
169|76|76|174|23|17

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8974358974358975|0.9|0.9|0.875|0.9|0.9230769230769231

$$$$
DTXSID3060324
  Mrv1813 07271812442D          

  4  3  0  0  0  0            999 V2000
    0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3060324

> <Analog_DSSTox_Structure_Id>
DTXCID9041944

> <Analog_Original_SMILES>
CC(Br)Br

> <Analog_Canonical_QSARr>
CC(Br)Br

> <Analog_CASRN>
557-91-5

> <Analog_preferred_name>
Ethylidene bromide

> <Analog - index>
10|11

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID30605082
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.5634   -2.3233    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5634   -1.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345   -1.4983    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489   -0.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    0.1517    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    0.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    1.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470    0.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220   -0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30605082

> <Analog_DSSTox_Structure_Id>
DTXCID10555839

> <Analog_Original_SMILES>
CCP(=O)(OC(F)CCl)OCC

> <Analog_Canonical_QSARr>
CCP(=O)(OC(F)CCl)OCC

> <Analog_CASRN>
62576-35-6

> <Analog_preferred_name>
2-Chloro-1-fluoroethyl ethyl ethylphosphonate

> <Analog - index>
3

> <OFR_ID>
107

> <OFR_DTXSID>
DTXSID8027618

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6294-34-4

> <similarity>
0.8539325842696629

$$$$
DTXSID30605542
  Mrv1813 07271812462D          

 14 14  0  0  0  0            999 V2000
    4.3547    0.5304    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    1.7679    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968    0.5304    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2113   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968   -1.1196    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -1.9446    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6402   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0692   -0.7071    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30605542

> <Analog_DSSTox_Structure_Id>
DTXCID00556299

> <Analog_Original_SMILES>
ClCC1C(Br)=C(Br)C(Br)=C(CCl)C=1Br

> <Analog_Canonical_QSARr>
ClCC1C(Br)=C(Br)C(Br)=C(CCl)C=1Br

> <Analog_CASRN>
62755-85-5

> <Analog_preferred_name>
1,2,3,5-Tetrabromo-4,6-bis(chloromethyl)benzene

> <Analog - index>
2

> <OFR_ID>
121

> <OFR_DTXSID>
DTXSID70728087

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4,5-pentabromo-6-(chloromethyl)-

> <OFR_CASRN>
58495-09-3

> <similarity>
0.8333333333333334

$$$$
DTXSID30615787
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    2.0642   -0.0705    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -0.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -0.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2076   -0.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221   -0.0705    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365    0.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510   -0.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7799   -0.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4944    0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   -0.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221   -1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   -2.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221   -2.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   -3.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    0.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30615787

> <Analog_DSSTox_Structure_Id>
DTXCID70566542

> <Analog_Original_SMILES>
CCCCOP(=O)(OCCCl)OCCCC

> <Analog_Canonical_QSARr>
CCCCOP(=O)(OCCCl)OCCCC

> <Analog_CASRN>
13674-92-5

> <Analog_preferred_name>
Dibutyl 2-chloroethyl phosphate

> <Analog - index>
7

> <OFR_ID>
140

> <OFR_DTXSID>
DTXSID3027615

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6145-73-9

> <similarity>
0.8421052631578947

$$$$
DTXSID30623387
  Mrv1813 07271812472D          

 29 30  0  0  0  0            999 V2000
    6.3311    1.0526    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9022   -1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877   -1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    1.0526    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7588   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0443    0.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154    1.0526    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0991   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136    0.2276    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7588   -1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0443   -1.4224    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4732   -1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311   -1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0456   -1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601   -1.4224    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0456   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601    0.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890    1.0526    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.9035   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6179    0.2276    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 10  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  6 19  1  0  0  0  0
 20  4  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  2  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30623387

> <Analog_DSSTox_Structure_Id>
DTXCID10574141

> <Analog_Original_SMILES>
BrC1C=C(CC2=CC(Br)=C(OCC(Br)CBr)C(Br)=C2)C=C(Br)C=1OCC(Br)CBr

> <Analog_Canonical_QSARr>
BrC1C=C(CC2=CC(Br)=C(OCC(Br)CBr)C(Br)=C2)C=C(Br)C=1OCC(Br)CBr

> <Analog_CASRN>
67508-66-1

> <Analog_preferred_name>
1,1'-Methylenebis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]

> <Analog - index>
1

> <OFR_ID>
89

> <OFR_DTXSID>
DTXSID3032129

> <OFR_PREFERRED_NAME>
2,2',3,3'-TETRABROMOBISPHENOL A

> <OFR_CASRN>
21850-44-2

> <similarity>
0.8839779005524862

$$$$
DTXSID30626813
  Mrv1813 07271812472D          

 14 15  0  0  0  0            999 V2000
    1.6499   -0.0647    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4103    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.5853    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30626813

> <Analog_DSSTox_Structure_Id>
DTXCID60577566

> <Analog_Original_SMILES>
BrC1C=CC(OCC2CO2)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(OCC2CO2)=C(Br)C=1Br

> <Analog_CASRN>
30171-81-4

> <Analog_preferred_name>
2-[(2,3,4-Tribromophenoxy)methyl]oxirane

> <Analog - index>
0

> <OFR_ID>
148

> <OFR_DTXSID>
DTXSID40864926

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
20217-01-0

> <similarity>
0.8926174496644296

$$$$
DTXSID30628175
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30628175

> <Analog_DSSTox_Structure_Id>
DTXCID70578928

> <Analog_Original_SMILES>
ClCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
ClCCCCCCC(Cl)Cl

> <Analog_CASRN>
17655-66-2

> <Analog_preferred_name>
1,1,7-Trichloroheptane

> <Analog - index>
242|242|211|212

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579|0.868421052631579

$$$$
DTXSID3064302
  Mrv1813 07271812442D          

 20 21  0  0  0  0            999 V2000
   -0.1105   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.4850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.4650    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.4650    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  4 11  1  0  0  0  0
  2 12  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3064302

> <Analog_DSSTox_Structure_Id>
DTXCID1044148

> <Analog_Original_SMILES>
CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1C=C(Br)C(O)=CC=1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1C=C(Br)C(O)=CC=1

> <Analog_CASRN>
6386-73-8

> <Analog_preferred_name>
Phenol, 2,6-dibromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]-

> <Analog - index>
1

> <OFR_ID>
60

> <OFR_DTXSID>
DTXSID1026081

> <OFR_PREFERRED_NAME>
4,4'-ISOPROPYLIDENEBIS(2,6-DIBROMOPHENOL)

> <OFR_CASRN>
79-94-7

> <similarity>
0.8536585365853658

$$$$
DTXSID3064510
  Mrv1813 07271812442D          

 23 22  0  0  0  0            999 V2000
   11.6603    7.5571    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.3747    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0892    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8037    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2326    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9471    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6616    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3760    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0905    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8050    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5194    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2339    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9484    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6629    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3773    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0918    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8063    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5207    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2352    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9497    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6642    7.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3786    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3064510

> <Analog_DSSTox_Structure_Id>
DTXCID4046494

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
6938-66-5

> <Analog_preferred_name>
Docosane, 1-bromo-

> <Analog - index>
56|77|77|60|110|108

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID3068049
  Mrv1813 07271812442D          

 16 15  0  0  0  0            999 V2000
    6.7104    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4249    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1393    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8538    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5683    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2828    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9972    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7117    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4262    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1406    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8551    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5696    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2841    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9985    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7130    4.6992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9959    4.2867    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3068049

> <Analog_DSSTox_Structure_Id>
DTXCID2039388

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCCBr

> <Analog_CASRN>
37688-96-3

> <Analog_preferred_name>
Tetradecane, 1,14-dibromo-

> <Analog - index>
57|78|78|61|111|109

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID30697785
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.0553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30697785

> <Analog_DSSTox_Structure_Id>
DTXCID20820287

> <Analog_Original_SMILES>
ClCC(Cl)CCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCC(Cl)CCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
865306-22-5

> <Analog_preferred_name>
1,1,1,3,11,12-Hexachlorododecane

> <Analog - index>
37|37|77|200

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9230769230769231|0.875

$$$$
DTXSID3069857
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    1.2028   -4.9829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4884   -5.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4884   -6.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261   -6.6329    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2028   -4.1579    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028   -3.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173   -2.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173   -2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028   -0.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173   -0.4454    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173    0.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318   -0.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -1.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -4.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778   -4.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778   -2.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347   -2.0145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
  8 16  1  0  0  0  0
  5 17  2  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3069857

> <Analog_DSSTox_Structure_Id>
DTXCID7043879

> <Analog_Original_SMILES>
O=P(OCC12COP(=O)(OC1)OC2)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
O=P(OCC12COP(=O)(OC1)OC2)(OCCCl)OCCCl

> <Analog_CASRN>
63451-46-7

> <Analog_preferred_name>
Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]oct-4-yl)methyl ester

> <Analog - index>
0|9

> <OFR_ID>
49|140

> <OFR_DTXSID>
DTXSID8028000|DTXSID3027615

> <OFR_PREFERRED_NAME>
PHOSPHORIC ACID, 2,2-BIS(CHLOROMETHYL)-1,3-PROPANEDIYL TETRAKIS(2-CHLOROETHYL) ESTER|?

> <OFR_CASRN>
38051-10-4|6145-73-9

> <similarity>
0.9047619047619048|0.8311688311688312

$$$$
DTXSID3069859
  Mrv1813 07271812442D          

 25 25  0  0  0  0            999 V2000
    2.9167    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2847    0.1682    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7544    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9419    0.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116    1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187    0.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1261    1.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1261    2.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116    2.9389    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.9419    3.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187    3.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    4.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3668    4.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846    5.7534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029    2.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029    1.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150   -0.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578   -0.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9702   -0.8093    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6527   -0.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775   -0.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298   -0.3281    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
  5 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3069859

> <Analog_DSSTox_Structure_Id>
DTXCID1043881

> <Analog_Original_SMILES>
OCC1(COP(=O)(OCCCl)OCCCl)COP(=O)(OC1)OCCCl

> <Analog_Canonical_QSARr>
OCC1(COP(=O)(OCCCl)OCCCl)COP(=O)(OC1)OCCCl

> <Analog_CASRN>
63451-48-9

> <Analog_preferred_name>
Phosphoric acid, [2-(2-chloroethoxy)-5-(hydroxymethyl)-2-oxido-1,3,2-dioxaphosphorinan-5-yl]methyl bis(2-chloroethyl) ester

> <Analog - index>
1

> <OFR_ID>
49

> <OFR_DTXSID>
DTXSID8028000

> <OFR_PREFERRED_NAME>
PHOSPHORIC ACID, 2,2-BIS(CHLOROMETHYL)-1,3-PROPANEDIYL TETRAKIS(2-CHLOROETHYL) ESTER

> <OFR_CASRN>
38051-10-4

> <similarity>
0.8351648351648352

$$$$
DTXSID30707378
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    4.6375    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9231    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    1.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4941    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7797    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9231   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30707378

> <Analog_DSSTox_Structure_Id>
DTXCID00658126

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1NBr

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1NBr

> <Analog_CASRN>
95833-31-1

> <Analog_preferred_name>
N-(2,4,6-Tribromophenyl)hypobromous amide

> <Analog - index>
3

> <OFR_ID>
111

> <OFR_DTXSID>
DTXSID5051733

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
147-82-0

> <similarity>
0.8421052631578947

$$$$
DTXSID30710504
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    4.3292   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
  2 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30710504

> <Analog_DSSTox_Structure_Id>
DTXCID60661252

> <Analog_Original_SMILES>
ClC1C=C(C=CC=1Br)C1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
ClC1C=C(C=CC=1Br)C1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
84979-86-2

> <Analog_preferred_name>
3,4,4'-Tribromo-3'-chloro-1,1'-biphenyl

> <Analog - index>
23

> <OFR_ID>
39

> <OFR_DTXSID>
DTXSID4074770

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
77102-82-0

> <similarity>
0.803921568627451

$$$$
DTXSID30720188
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    3.0790    1.8562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30720188

> <Analog_DSSTox_Structure_Id>
DTXCID90670933

> <Analog_Original_SMILES>
ClC(Cl)CC1CCCCC1

> <Analog_Canonical_QSARr>
ClC(Cl)CC1CCCCC1

> <Analog_CASRN>
5173-61-5

> <Analog_preferred_name>
(2,2-Dichloroethyl)cyclohexane

> <Analog - index>
206|206|171|168

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID3072296
  Mrv1813 07271812442D          

 22 24  0  0  0  0            999 V2000
    3.4952    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802    1.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7648    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7648    2.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5494    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5494   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3694    0.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3694    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7648   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7648   -1.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0663    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0663    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 14  1  1  0  0  0  0
 15 14  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
  1 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3072296

> <Analog_DSSTox_Structure_Id>
DTXCID3046956

> <Analog_Original_SMILES>
O=C1OC2C(OC(=O)C3C=CC1=CC=3)=C(Br)C(Br)=C(Br)C=2Br

> <Analog_Canonical_QSARr>
O=C1OC2C(OC(=O)C3C=CC1=CC=3)=C(Br)C(Br)=C(Br)C=2Br

> <Analog_CASRN>
71215-80-0

> <Analog_preferred_name>
3,6-Etheno-1,8-benzodioxecin-2,7-dione, 9,10,11,12-tetrabromo-

> <Analog - index>
0

> <OFR_ID>
51

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8136645962732919

$$$$
DTXSID30724303
  Mrv1813 07271812472D          

 17 18  0  0  0  0            999 V2000
    5.7688   -0.1456    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0543   -0.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399    0.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    1.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109    2.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109    3.1544    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    1.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820    2.3294    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254   -0.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254   -1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -2.6206    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0543   -1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30724303

> <Analog_DSSTox_Structure_Id>
DTXCID30675048

> <Analog_Original_SMILES>
FC1C=CC(=CC=1Br)OC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
FC1C=CC(=CC=1Br)OC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
863314-85-6

> <Analog_preferred_name>
2-Bromo-4-(2,4-dibromophenoxy)-1-fluorobenzene

> <Analog - index>
33|33|27

> <OFR_ID>
26|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-15-4|60348-60-9

> <similarity>
0.822429906542056|0.8130841121495327|0.8504672897196262

$$$$
DTXSID30728083
  Mrv1813 07271812472D          

 23 27  0  0  0  0            999 V2000
    6.6417   -1.9646    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -1.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    2.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 12 17  1  0  0  0  0
 18 11  2  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21  4  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30728083

> <Analog_DSSTox_Structure_Id>
DTXCID80678827

> <Analog_Original_SMILES>
BrC1C=CC2C=CC3C4C=2C=1C=CC=4C=CC=3C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC2C=CC3C4C=2C=1C=CC=4C=CC=3C1C=CC=CC=1

> <Analog_CASRN>
294881-47-3

> <Analog_preferred_name>
1-Bromo-6-phenylpyrene

> <Analog - index>
26

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.813953488372093

$$$$
DTXSID30728088
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    4.6177    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9033    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7599    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4743   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7599   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1888   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888   -1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  2 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30728088

> <Analog_DSSTox_Structure_Id>
DTXCID30678832

> <Analog_Original_SMILES>
ClC1=C(CBr)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
ClC1=C(CBr)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
875344-71-1

> <Analog_preferred_name>
1,2,3,4-Tetrabromo-5-(bromomethyl)-6-chlorobenzene

> <Analog - index>
2|2

> <OFR_ID>
122|123

> <OFR_DTXSID>
-|DTXSID50192686

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4,5-pentabromo-6-(bromomethyl)-|Benzene, 1,2,3,4-tetrabromo-5-chloro-6-methyl-

> <OFR_CASRN>
-|39569-21-6

> <similarity>
0.8153846153846154|0.8

$$$$
DTXSID3074789
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    0.8165   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.1768    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1021    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269    0.1768    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269   -1.4732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1021   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021   -2.2982    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2455   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -2.2982    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2455   -3.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -3.9482    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -4.7732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8165   -3.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021   -3.9482    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID3074789

> <Analog_DSSTox_Structure_Id>
DTXCID4040347

> <Analog_Original_SMILES>
BrC1C=C(OC2C(Br)=C(Br)C(Br)=CC=2Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(OC2C(Br)=C(Br)C(Br)=CC=2Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
446255-39-6

> <Analog_preferred_name>
Benzene, 1,2,3,4-tetrabromo-5-(2,3,4,6-tetrabromophenoxy)-

> <Analog - index>
2|12|0|2|5|23|14

> <OFR_ID>
24|26|27|30|31|35|36

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9

> <similarity>
0.8777777777777778|0.925531914893617|0.978021978021978|0.9565217391304348|0.9354838709677419|0.8|0.9166666666666666

$$$$
DTXSID30748463
  Mrv1813 07271812472D          

 14 14  0  0  0  0            999 V2000
    4.9161    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2016   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4871    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7727   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2016   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30748463

> <Analog_DSSTox_Structure_Id>
DTXCID10699207

> <Analog_Original_SMILES>
C=C(Cl)COC1C(Br)=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
C=C(Cl)COC1C(Br)=CC(Br)=CC=1Br

> <Analog_CASRN>
88486-70-8

> <Analog_preferred_name>
1,3,5-Tribromo-2-[(2-chloroprop-2-en-1-yl)oxy]benzene

> <Analog - index>
2

> <OFR_ID>
145

> <OFR_DTXSID>
DTXSID3044918

> <OFR_PREFERRED_NAME>
1,3,5-TRIBROMO-2-(PROP-2-EN-1-YLOXY)BENZENE

> <OFR_CASRN>
3278-89-5

> <similarity>
0.8

$$$$
DTXSID30760120
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    3.0790    0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.6740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.4530    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30760120

> <Analog_DSSTox_Structure_Id>
DTXCID90710863

> <Analog_Original_SMILES>
CCCCCCCCCCCC(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCC(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
96621-01-1

> <Analog_preferred_name>
1,1,1,2-Tetrachlorotridecane

> <Analog - index>
72|72|158|149

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.8974358974358975|0.8974358974358975

$$$$
DTXSID30760180
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    4.7869   -0.3035    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9619   -0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785    0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785    1.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6641    1.5174    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0930    1.5174    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7952   -0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702   -0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577   -1.0179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5577    0.4110    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3785   -0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785   -1.7118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11  7  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30760180

> <Analog_DSSTox_Structure_Id>
DTXCID30710923

> <Analog_Original_SMILES>
ClC(Cl)C1C(C(Cl)C1Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)C1C(C(Cl)C1Cl)C(Cl)Cl

> <Analog_CASRN>
96862-48-5

> <Analog_preferred_name>
1,2-Dichloro-3,4-bis(dichloromethyl)cyclobutane

> <Analog - index>
243|243

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8048780487804879|0.8048780487804879

$$$$
DTXSID30776448
  Mrv1813 07271812472D          

  8  8  0  0  0  0            999 V2000
    4.1507   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30776448

> <Analog_DSSTox_Structure_Id>
DTXCID70727191

> <Analog_Original_SMILES>
Br[C@@H]1C[C@@H](Br)CCC1

> <Analog_Canonical_QSARr>
BrC1CC(Br)CCC1

> <Analog_CASRN>
29624-17-7

> <Analog_preferred_name>
(1S,3S)-1,3-Dibromocyclohexane

> <Analog - index>
5

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9090909090909091

$$$$
DTXSID30777576
  Mrv1813 07271812472D          

 11 12  0  0  0  0            999 V2000
    2.3863   -1.9823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5925    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718    0.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008    0.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30777576

> <Analog_DSSTox_Structure_Id>
DTXCID60728319

> <Analog_Original_SMILES>
CC(C)(Cl)C12CC(CC1)CC2

> <Analog_Canonical_QSARr>
CC(C)(Cl)C12CC(CC1)CC2

> <Analog_CASRN>
10498-92-7

> <Analog_preferred_name>
1-(2-Chloropropan-2-yl)bicyclo[2.2.1]heptane

> <Analog - index>
225|225|186|184

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID30784048
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    3.0140   -2.2490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7285   -1.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285   -1.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430    0.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430    1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575    1.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5535   -1.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035   -1.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30784048

> <Analog_DSSTox_Structure_Id>
DTXCID40734791

> <Analog_Original_SMILES>
CC(C)(CBr)COC(=O)C=C

> <Analog_Canonical_QSARr>
CC(C)(CBr)COC(=O)C=C

> <Analog_CASRN>
3102-74-7

> <Analog_preferred_name>
3-Bromo-2,2-dimethylpropyl prop-2-enoate

> <Analog - index>
0

> <OFR_ID>
114

> <OFR_DTXSID>
DTXSID7024950

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
19660-16-3

> <similarity>
0.8205128205128205

$$$$
DTXSID30785232
  Mrv1813 07271812472D          

 23 23  0  0  0  0            999 V2000
   -0.5556   -1.3361    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4457   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0180   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7325   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4470   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1614   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8759   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904   -0.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -2.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733    0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733    1.1389    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5 19  2  0  0  0  0
 20  4  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  2  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30785232

> <Analog_DSSTox_Structure_Id>
DTXCID90735975

> <Analog_Original_SMILES>
CCCCCCCCCCCCOC(=O)C1C=C(Br)C=C(Br)C=1

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCOC(=O)C1C=C(Br)C=C(Br)C=1

> <Analog_CASRN>
478164-28-2

> <Analog_preferred_name>
Dodecyl 3,5-dibromobenzoate

> <Analog - index>
0

> <OFR_ID>
64

> <OFR_DTXSID>
DTXSID9052686

> <OFR_PREFERRED_NAME>
BENZOIC ACID, 2,3,4,5-TETRABROMO-, 2-ETHYLHEXYL ESTER

> <OFR_CASRN>
183658-27-7

> <similarity>
0.8352272727272727

$$$$
DTXSID30785338
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    4.0335    1.3400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5032    0.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887    0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   -1.3545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6617   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4867   -1.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5032   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176    0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30785338

> <Analog_DSSTox_Structure_Id>
DTXCID70736081

> <Analog_Original_SMILES>
CC(C)(Cl)C1CC(C)(Cl)CCC1

> <Analog_Canonical_QSARr>
CC(C)(Cl)C1CC(C)(Cl)CCC1

> <Analog_CASRN>
4497-93-2

> <Analog_preferred_name>
1-Chloro-3-(2-chloropropan-2-yl)-1-methylcyclohexane

> <Analog - index>
109|109|241|169

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8461538461538461|0.8947368421052632

$$$$
DTXSID30785353
  Mrv1813 07271812472D          

 19 20  0  0  0  0            999 V2000
    5.5609    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8464   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1319    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1319    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1319    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9885    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9885    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1319   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1319   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8464   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5609   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30785353

> <Analog_DSSTox_Structure_Id>
DTXCID20736096

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(C=C1)OC1=C(Br)C(Br)=C(Br)C=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(C=C1)OC1=C(Br)C(Br)=C(Br)C=C1Br

> <Analog_CASRN>
446254-96-2

> <Analog_preferred_name>
1,2,3,5-Tetrabromo-4-(2,4-dibromophenoxy)benzene

> <Analog - index>
13|0|3|6|0|5|0|7|11

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8125|0.9787234042553191|0.9473684210526315|0.9270833333333334|0.9680851063829787|0.8723404255319149|0.9894736842105263|0.8631578947368421|0.8526315789473684

$$$$
DTXSID30785474
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    1.6501   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30785474

> <Analog_DSSTox_Structure_Id>
DTXCID60736217

> <Analog_Original_SMILES>
COC(=O)CCCCCCCCC(CBr)OC

> <Analog_Canonical_QSARr>
COC(=O)CCCCCCCCC(CBr)OC

> <Analog_CASRN>
42749-37-1

> <Analog_preferred_name>
Methyl 11-bromo-10-methoxyundecanoate

> <Analog - index>
25

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8023255813953488

$$$$
DTXSID30785570
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    5.9369   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30785570

> <Analog_DSSTox_Structure_Id>
DTXCID60736313

> <Analog_Original_SMILES>
BrC1=CC(=CC(Br)=C1)OC1=CC(Br)=C(Br)C=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(=CC(Br)=C1)OC1=CC(Br)=C(Br)C=C1Br

> <Analog_CASRN>
417727-71-0

> <Analog_preferred_name>
1,2,4-Tribromo-5-(3,5-dibromophenoxy)benzene

> <Analog - index>
17|21|17|15|18|20

> <OFR_ID>
24|26|27|30|31|36

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8041237113402062|0.87|0.8787878787878788|0.8787878787878788|0.8787878787878788|0.8811881188118812

$$$$
DTXSID30786587
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    4.1103    2.3110    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3653    1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8132    0.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    0.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161   -0.4844    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487   -0.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1036   -1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1836   -0.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641    0.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30786587

> <Analog_DSSTox_Structure_Id>
DTXCID10737330

> <Analog_Original_SMILES>
O=P1(OCCCl)OCCO1

> <Analog_Canonical_QSARr>
O=P1(OCCCl)OCCO1

> <Analog_CASRN>
45733-58-2

> <Analog_preferred_name>
2-(2-Chloroethoxy)-1,3,2lambda~5~-dioxaphospholan-2-one

> <Analog - index>
0|19

> <OFR_ID>
6|108

> <OFR_DTXSID>
DTXSID5027980|DTXSID5021411

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE

> <OFR_CASRN>
33125-86-9|115-96-8

> <similarity>
0.8333333333333334|0.8392857142857143

$$$$
DTXSID30795795
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    4.2372   -0.0765    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6497   -0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9352   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207   -0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062    0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641    0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786    0.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786    1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0622   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497   -2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247   -2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30795795

> <Analog_DSSTox_Structure_Id>
DTXCID60746538

> <Analog_Original_SMILES>
CCCC(Br)(CCCC)CCCC

> <Analog_Canonical_QSARr>
CCCC(Br)(CCCC)CCCC

> <Analog_CASRN>
63316-25-6

> <Analog_preferred_name>
5-Bromo-5-propylnonane

> <Analog - index>
240

> <OFR_ID>
2

> <OFR_DTXSID>
DTXSID70180181

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-

> <OFR_CASRN>
25495-98-1

> <similarity>
0.8157894736842105

$$$$
DTXSID30810376
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    2.2284    1.3774    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7427    0.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.3774    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9994    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159   -0.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0115   -0.6134    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3302   -1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -0.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -0.6134    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30810376

> <Analog_DSSTox_Structure_Id>
DTXCID50761119

> <Analog_Original_SMILES>
ClC1(Cl)CC(Cl)CCC(Cl)C1

> <Analog_Canonical_QSARr>
ClC1(Cl)CC(Cl)CCC(Cl)C1

> <Analog_CASRN>
62251-18-7

> <Analog_preferred_name>
1,1,3,6-Tetrachlorocycloheptane

> <Analog - index>
150|150

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8536585365853658|0.8536585365853658

$$$$
DTXSID30818498
  Mrv1813 07271812472D          

 12 13  0  0  0  0            999 V2000
    3.1851   -1.3333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5889   -0.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423   -0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5296    0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718    0.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4017    0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3967    0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8178    0.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6427    0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139   -0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350   -1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30818498

> <Analog_DSSTox_Structure_Id>
DTXCID40769240

> <Analog_Original_SMILES>
CC1(C)C2CC(C)C(C)C1(Br)C2

> <Analog_Canonical_QSARr>
CC1(C)C2CC(C)C(C)C1(Br)C2

> <Analog_CASRN>
61314-61-2

> <Analog_preferred_name>
1-Bromo-2,3,6,6-tetramethylbicyclo[3.1.1]heptane

> <Analog - index>
142|163|163|146|188|186

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID30852438
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    4.6552   -2.2620    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9407   -1.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6552   -0.6120    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262   -0.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    0.2130    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    1.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5118    1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    0.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4637    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012    0.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30852438

> <Analog_DSSTox_Structure_Id>
DTXCID00803179

> <Analog_Original_SMILES>
COP(=O)(OC(F)CCl)OC

> <Analog_Canonical_QSARr>
COP(=O)(OC(F)CCl)OC

> <Analog_CASRN>
58394-85-7

> <Analog_preferred_name>
2-Chloro-1-fluoroethyl dimethyl phosphate

> <Analog - index>
22

> <OFR_ID>
108

> <OFR_DTXSID>
DTXSID5021411

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE

> <OFR_CASRN>
115-96-8

> <similarity>
0.8235294117647058

$$$$
DTXSID30852933
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    4.2543    0.4624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6668   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793   -0.9666    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3812    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0957   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8102    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5246   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2391    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9536   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6680    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3825   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0970    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8115   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5259    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2378   -1.0771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5398    0.0499    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3648   -1.3791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30852933

> <Analog_DSSTox_Structure_Id>
DTXCID00803674

> <Analog_Original_SMILES>
CCCCCCCCCCCC(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCC(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
57437-54-4

> <Analog_preferred_name>
1,1,1,2,2-Pentachlorotridecane

> <Analog - index>
151|151|205|207

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.8717948717948718|0.8717948717948718

$$$$
DTXSID30865306
  Mrv1813 07271812472D          

 20 19  0  0  0  0            999 V2000
    0.8251    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1106    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8251    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.7309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -3.1598    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    3.9849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.2704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30865306

> <Analog_DSSTox_Structure_Id>
DTXCID80813731

> <Analog_Original_SMILES>
CC(Cl)C(Cl)OP(=O)(OCC(Cl)CCl)OCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CC(Cl)C(Cl)OP(=O)(OCC(Cl)CCl)OCCC(Cl)Cl

> <Analog_CASRN>
NOCAS_865306

> <Analog_preferred_name>
CERAPP_38149

> <Analog - index>
5

> <OFR_ID>
138

> <OFR_DTXSID>
DTXSID7023805

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE

> <OFR_CASRN>
78-43-3

> <similarity>
0.8795180722891566

$$$$
DTXSID30865548
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30865548

> <Analog_DSSTox_Structure_Id>
DTXCID50813945

> <Analog_Original_SMILES>
ClC1C(Cl)C(Br)C(Br)C(Br)C1Cl

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Br)C(Br)C(Br)C1Cl

> <Analog_CASRN>
NOCAS_865548

> <Analog_preferred_name>
CERAPP_38887

> <Analog - index>
2

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.9148936170212766

$$$$
DTXSID30866292
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    6.7108    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1397    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5687    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2831    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9976    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7121    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4266    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4266    5.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1410    5.9369    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.1410    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8555    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5700    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2844    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9989    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7134    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30866292

> <Analog_DSSTox_Structure_Id>
DTXCID70814590

> <Analog_Original_SMILES>
CCCCCCCCC(CBr)CCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCC(CBr)CCCCCC

> <Analog_CASRN>
NOCAS_866292

> <Analog_preferred_name>
CERAPP_40965

> <Analog - index>
58|79|79|62|112|110

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID30870778
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    4.2353    3.2702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9497    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3787    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0931    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8076    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2366    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9510    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6655    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3800    3.2702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30870778

> <Analog_DSSTox_Structure_Id>
DTXCID10818471

> <Analog_Original_SMILES>
ClCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCl

> <Analog_CASRN>
NOCAS_870778

> <Analog_preferred_name>
CERAPP_55410

> <Analog - index>
110|110|45|32

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID30872631
  Mrv1813 07271812442D          

 30 29  0  0  0  0            999 V2000
    4.8075    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0930   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6641   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6228   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3372    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7662    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4806   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1951    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9096   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6240    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3385   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0530    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9096   -1.0037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7662    1.0588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6228   -1.0037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    1.0588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6641   -1.0037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5220   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2364    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9509   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6654    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9509   -1.0037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8075    1.0588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 13 21  1  0  0  0  0
 10 22  1  0  0  0  0
  7 23  1  0  0  0  0
  4 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  1 30  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30872631

> <Analog_DSSTox_Structure_Id>
DTXCID60270

> <Analog_Original_SMILES>
CC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC

> <Analog_Canonical_QSARr>
CC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC

> <Analog_CASRN>
1005111-49-8

> <Analog_preferred_name>
2,5,8,11,14,17,20-Heptachlorotricosane

> <Analog - index>
26|26|14|0

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|0.9473684210526315|1.0

$$$$
DTXSID30872636
  Mrv1813 07271812472D          

 22 21  0  0  0  0            999 V2000
    0.9722    0.7004    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5597   -0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5837    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2982    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0126    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7271    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1561    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8705    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5673   -0.3160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    1.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2742   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9887   -0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7031   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176   -0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1321   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465   -0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5610   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2755   -0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1472   -0.7285    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30872636

> <Analog_DSSTox_Structure_Id>
DTXCID00820285

> <Analog_Original_SMILES>
CCCCCCCCC(Cl)(Cl)C(Cl)(Cl)CCCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCC(Cl)(Cl)C(Cl)(Cl)CCCCCCCC

> <Analog_CASRN>
95278-34-5

> <Analog_preferred_name>
9,9,10,10-Tetrachlorooctadecane

> <Analog - index>
152|152|206|208

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.8717948717948718|0.8717948717948718

$$$$
DTXSID30872651
  Mrv1813 07271812472D          

 20 19  0  0  0  0            999 V2000
    0.3572    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30872651

> <Analog_DSSTox_Structure_Id>
DTXCID00820301

> <Analog_Original_SMILES>
CCCCCCCCC(Cl)C(Cl)CCCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCC(Cl)C(Cl)CCCCCCCC

> <Analog_CASRN>
872803-49-1

> <Analog_preferred_name>
9,?10-?Dichlorooctadecane

> <Analog - index>
53|53|93|81

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID30872656
  Mrv1813 07271812472D          

 22 21  0  0  0  0            999 V2000
   -5.7156    1.3283    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7156    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4300    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1445    0.5033    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0011    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4287    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0015    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30872656

> <Analog_DSSTox_Structure_Id>
DTXCID00820306

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCC(Cl)CCl

> <Analog_CASRN>
118081-16-6

> <Analog_preferred_name>
1,2-Dichloroicosane

> <Analog - index>
54|54|94|82

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID30874059
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    0.6144   -0.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5768    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2074    0.3460    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7464    1.8601    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0607    0.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463   -0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0607   -0.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984   -1.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6329   -2.2768    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5608   -2.2866    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7752   -0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143   -0.9527    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6510   -0.0959    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539    1.4293    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732    0.9042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30874059

> <Analog_DSSTox_Structure_Id>
DTXCID201012193

> <Analog_Original_SMILES>
CC1(C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
CC1(C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
19|19|149|138

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.9|0.9

$$$$
DTXSID30874150
  Mrv1813 07271812472D          

 19 20  0  0  0  0            999 V2000
    0.6294    0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9549   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7591   -0.5762    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -1.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -2.4391    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0437   -2.1392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0297    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266    0.8688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1280    0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5081    1.5709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7484    0.1990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5039   -1.1961    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4988   -0.3535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    1.0555    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16  6  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30874150

> <Analog_DSSTox_Structure_Id>
DTXCID101012283

> <Analog_Original_SMILES>
ClC1(Cl)CC2C(Cl)C(Cl)C1(C(Cl)Cl)C2(CCl)C(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)CC2C(Cl)C(Cl)C1(C(Cl)Cl)C2(CCl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
10|10|196|194

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID30875647
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID30875647

> <Analog_DSSTox_Structure_Id>
DTXCID301013768

> <Analog_Original_SMILES>
ClC1C(Cl)C(Cl)C(Br)C(Cl)C1Cl

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)C(Br)C(Cl)C1Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
5

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8958333333333334

$$$$
DTXSID40146335
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
    2.7413   -2.5821    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7413   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558   -1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558   -0.5196    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558    0.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1703    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1703    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2808   -0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5183    0.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6308   -0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40146335

> <Analog_DSSTox_Structure_Id>
DTXCID4068826

> <Analog_Original_SMILES>
CCOP(=O)(CCCl)OCC

> <Analog_Canonical_QSARr>
CCOP(=O)(CCCl)OCC

> <Analog_CASRN>
10419-79-1

> <Analog_preferred_name>
Phosphonic acid, (2-chloroethyl)-, diethyl ester

> <Analog - index>
2

> <OFR_ID>
107

> <OFR_DTXSID>
DTXSID8027618

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6294-34-4

> <similarity>
0.8554216867469879

$$$$
DTXSID40151025
  Mrv1813 07271812442D          

 16 17  0  0  0  0            999 V2000
    4.3292    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
  2 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40151025

> <Analog_DSSTox_Structure_Id>
DTXCID2073516

> <Analog_Original_SMILES>
BrC1C(=CC(Br)=C(Br)C=1Br)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C(=CC(Br)=C(Br)C=1Br)C1C=CC=CC=1

> <Analog_CASRN>
115245-09-5

> <Analog_preferred_name>
1,2,3,4-Tetrabromo-5-phenylbenzene

> <Analog - index>
36|38|18|31|25|22|12|2

> <OFR_ID>
25|29|32|33|34|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|-|115245-07-3

> <similarity>
0.8653846153846154|0.8571428571428571|0.9245283018867925|0.8666666666666667|0.81|0.8640776699029126|0.9423076923076923|0.98

$$$$
DTXSID40152315
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    1.6500   -0.0229    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40152315

> <Analog_DSSTox_Structure_Id>
DTXCID9074806

> <Analog_Original_SMILES>
CCCCCC[C@H](C)Br

> <Analog_Canonical_QSARr>
CCCCCCC(C)Br

> <Analog_CASRN>
1191-24-8

> <Analog_preferred_name>
sec-Octyl bromide, (+)-

> <Analog - index>
175|188|188|181|176|173

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.8717948717948718|0.85|0.8717948717948718

$$$$
DTXSID40152370
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40152370

> <Analog_DSSTox_Structure_Id>
DTXCID8074861

> <Analog_Original_SMILES>
BrC1C=CC=C(Br)C=1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC=C(Br)C=1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
119264-57-2

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4,5,6,6'-heptabromo-

> <Analog - index>
57|60|49|55

> <OFR_ID>
32|33|37|40

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-

> <similarity>
0.8113207547169812|0.8217821782178217|0.8|0.8269230769230769

$$$$
DTXSID40152375
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    4.5079    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40152375

> <Analog_DSSTox_Structure_Id>
DTXCID3074866

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C(C2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C(C2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C1Br

> <Analog_CASRN>
119264-63-0

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',4,5,5',6,6'-nonabromo-

> <Analog - index>
0|24

> <OFR_ID>
12|47

> <OFR_DTXSID>
DTXSID9065572|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
13654-09-6|69278-62-2

> <similarity>
0.8243243243243243|0.8023255813953488

$$$$
DTXSID40177104
  Mrv1813 07271812442D          

  4  3  0  0  0  0            999 V2000
    3.7526   -0.3572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    0.3572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40177104

> <Analog_DSSTox_Structure_Id>
DTXCID3099595

> <Analog_Original_SMILES>
[2H]C([2H])(Br)C([2H])([2H])Br

> <Analog_Canonical_QSARr>
BrCCBr

> <Analog_CASRN>
22581-63-1

> <Analog_preferred_name>
1,2-Dibromo-(1,1,2,2-2H4)ethane

> <Analog - index>
2|3

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
1.0|0.9090909090909091

$$$$
DTXSID40177982
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
    3.5191   -1.3056    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1066   -0.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8211   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922   -1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066    0.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941    1.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8691    0.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40177982

> <Analog_DSSTox_Structure_Id>
DTXCID00100473

> <Analog_Original_SMILES>
COC(=O)C(C)(C)Br

> <Analog_Canonical_QSARr>
COC(=O)C(C)(C)Br

> <Analog_CASRN>
23426-63-3

> <Analog_preferred_name>
Methyl 2-bromo-2-methylpropionate

> <Analog - index>
0

> <OFR_ID>
99

> <OFR_DTXSID>
DTXSID90884159

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-17-0

> <similarity>
0.8974358974358975

$$$$
DTXSID40182430
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    4.5078    0.2846    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.3654    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40182430

> <Analog_DSSTox_Structure_Id>
DTXCID50104921

> <Analog_Original_SMILES>
OC1C=C(Br)C=CC=1Br

> <Analog_Canonical_QSARr>
OC1C=C(Br)C=CC=1Br

> <Analog_CASRN>
28165-52-8

> <Analog_preferred_name>
2,5-Dibromophenol

> <Analog - index>
11

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8253968253968254

$$$$
DTXSID40185022
  Mrv1813 07271812442D          

 25 27  0  0  0  0            999 V2000
    6.4523   -0.4821    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7379   -0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234    0.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    0.7554    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    1.1679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    1.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    2.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    3.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    3.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    2.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714    0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339   -0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7214    1.4699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089   -0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089   -1.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234   -2.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234   -2.9571    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7379   -1.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  7 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 14 19  1  0  0  0  0
  5 20  2  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  2  0  0  0  0
  2 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40185022

> <Analog_DSSTox_Structure_Id>
DTXCID50107513

> <Analog_Original_SMILES>
O=P(OC1C=CC(Br)=CC=1Br)(OC1C=CC=CC=1)OC1C=CC=CC=1

> <Analog_Canonical_QSARr>
O=P(OC1C=CC(Br)=CC=1Br)(OC1C=CC=CC=1)OC1C=CC=CC=1

> <Analog_CASRN>
31066-45-2

> <Analog_preferred_name>
2,4-Dibromophenyl diphenyl phosphate

> <Analog - index>
2|1

> <OFR_ID>
80|81

> <OFR_DTXSID>
-|DTXSID9052711

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
-|49690-63-3

> <similarity>
0.8333333333333334|0.8245614035087719

$$$$
DTXSID40189924
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40189924

> <Analog_DSSTox_Structure_Id>
DTXCID00112415

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C=C2Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C=C2Br)=C(Br)C=1

> <Analog_CASRN>
36402-15-0

> <Analog_preferred_name>
2,2',4,4',5,6'-Hexabromobiphenyl

> <Analog - index>
14|10|39|4|30|38|45|23

> <OFR_ID>
25|29|32|33|37|40|43|47

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3|69278-62-2

> <similarity>
0.9387755102040817|0.9489795918367347|0.8867924528301887|0.92|0.8431372549019608|0.8857142857142857|0.8476190476190476|0.8041237113402062

$$$$
DTXSID40191921
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    4.6507    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40191921

> <Analog_DSSTox_Structure_Id>
DTXCID80114412

> <Analog_Original_SMILES>
COC1C(Br)=CC=CC=1Br

> <Analog_Canonical_QSARr>
COC1C(Br)=CC=CC=1Br

> <Analog_CASRN>
38603-09-7

> <Analog_preferred_name>
Benzene, 1,3-dibromo-2-methoxy-

> <Analog - index>
1

> <OFR_ID>
125

> <OFR_DTXSID>
DTXSID1060558

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
607-99-8

> <similarity>
0.8507462686567164

$$$$
DTXSID40207814
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.3292   -0.3094    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    2.1656    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.9906    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713   -1.9594    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40207814

> <Analog_DSSTox_Structure_Id>
DTXCID90130305

> <Analog_Original_SMILES>
BrC1=CC(C2=CC(Br)=C(Br)C=C2)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(C2=CC(Br)=C(Br)C=C2)=C(Br)C=C1

> <Analog_CASRN>
59080-38-5

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3',4',5-tetrabromo-

> <Analog - index>
25|22|5|18|26|24|9|8

> <OFR_ID>
25|29|32|33|37|39|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|DTXSID4074770|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|77102-82-0|-|115245-07-3

> <similarity>
0.8857142857142857|0.8952380952380953|0.9622641509433962|0.8867924528301887|0.8490566037735849|0.803921568627451|0.9433962264150944|0.9238095238095239

$$$$
DTXSID40210469
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    4.3490   -0.7067    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    1.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -0.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -1.5317    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  2  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40210469

> <Analog_DSSTox_Structure_Id>
DTXCID90132960

> <Analog_Original_SMILES>
OC1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
OC1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
615-56-5

> <Analog_preferred_name>
3,4-Dibromophenol

> <Analog - index>
9

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8387096774193549

$$$$
DTXSID40213854
  Mrv1813 07271812452D          

 13 14  0  0  0  0            999 V2000
    3.5351   -1.2397    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5351   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640    1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6785    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6785   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640   -1.2397    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5351    1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061   -0.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
  2 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40213854

> <Analog_DSSTox_Structure_Id>
DTXCID70136345

> <Analog_Original_SMILES>
OC1C=CC2C=CC=C(Br)C=2C=1Br

> <Analog_Canonical_QSARr>
OC1C=CC2C=CC=C(Br)C=2C=1Br

> <Analog_CASRN>
63980-32-5

> <Analog_preferred_name>
2-Naphthol, dibromo-

> <Analog - index>
19

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8

$$$$
DTXSID4021929
  Mrv1813 07271812442D          

  7  6  0  0  0  0            999 V2000
   -0.0018   -0.0582    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7127   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8561   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2850   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4021929

> <Analog_DSSTox_Structure_Id>
DTXCID101929

> <Analog_Original_SMILES>
CCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCBr

> <Analog_CASRN>
111-25-1

> <Analog_preferred_name>
1-Bromohexane

> <Analog - index>
30

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID40230208
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40230208

> <Analog_DSSTox_Structure_Id>
DTXCID00152699

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C=C1C1C(Br)=CC=CC=1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C=C1C1C(Br)=CC=CC=1Br

> <Analog_CASRN>
80274-92-6

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',4,5,6'-pentabromo-

> <Analog - index>
37|36|10|3|2|4|10

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8490566037735849|0.8584905660377359|0.9433962264150944|0.9411764705882353|0.94|0.9615384615384616|0.9230769230769231

$$$$
DTXSID40230304
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40230304

> <Analog_DSSTox_Structure_Id>
DTXCID00152795

> <Analog_Original_SMILES>
BrC1=CC(=CC(Br)=C1)C1=CC(Br)=C(Br)C=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(=CC(Br)=C1)C1=CC(Br)=C(Br)C=C1Br

> <Analog_CASRN>
80407-70-1

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3',4,5,5'-pentabromo-

> <Analog - index>
30|32|11|30|20|16|11

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8846153846153846|0.8761904761904762|0.9433962264150944|0.8679245283018868|0.8653846153846154|0.9245283018867925|0.9230769230769231

$$$$
DTXSID40232040
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.5078   -0.4583    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.0167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    2.0167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4583    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -2.1083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
  2 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40232040

> <Analog_DSSTox_Structure_Id>
DTXCID40154531

> <Analog_Original_SMILES>
BrC1C=CC(Br)=C(C2C=C(Br)C(Br)=C(Br)C=2)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(Br)=C(C2C=C(Br)C(Br)=C(Br)C=2)C=1Br

> <Analog_CASRN>
82865-91-6

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,3',4',5',6-hexabromo-

> <Analog - index>
31|33|19|32|28|24|28

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.883495145631068|0.875|0.9245283018867925|0.8666666666666667|0.8461538461538461|0.9056603773584906|0.8857142857142857

$$$$
DTXSID40237252
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.3397   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6253   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
  2 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40237252

> <Analog_DSSTox_Structure_Id>
DTXCID40159743

> <Analog_Original_SMILES>
BrC1=CC(C2C(Br)=C(Br)C=CC=2Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(C2C(Br)=C(Br)C=CC=2Br)=C(Br)C=C1

> <Analog_CASRN>
88700-05-4

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,5',6-pentabromo-

> <Analog - index>
42|41|14|25|0|15|17

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.839622641509434|0.8490566037735849|0.9339622641509434|0.8761904761904762|0.9494949494949495|0.9333333333333333|0.9134615384615384

$$$$
DTXSID40242785
  Mrv1813 07271812452D          

 10 14  0  0  0  0            999 V2000
    2.0467    1.2690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4985    0.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1168    0.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280    0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1223   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735   -1.2701    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -0.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9092    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40242785

> <Analog_DSSTox_Structure_Id>
DTXCID70165276

> <Analog_Original_SMILES>
ClC12C3C4C1C1C2C3C14Cl

> <Analog_Canonical_QSARr>
ClC12C3C4C1C1C2C3C14Cl

> <Analog_CASRN>
97229-07-7

> <Analog_preferred_name>
Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-

> <Analog - index>
111|111|242|170

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8461538461538461|0.8947368421052632

$$$$
DTXSID40277855
  Mrv1813 07271812452D          

 16 15  0  0  0  0            999 V2000
    4.2430   -0.4466    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0680   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680   -1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3535   -1.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3535   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390   -2.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390   -3.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    0.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4969    2.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4969    2.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8930   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055   -1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8930   -1.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680   -1.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40277855

> <Analog_DSSTox_Structure_Id>
DTXCID60229013

> <Analog_Original_SMILES>
CCCCC(Cl)(CCCCC)CCCCC

> <Analog_Canonical_QSARr>
CCCCC(Cl)(CCCCC)CCCCC

> <Analog_CASRN>
5398-62-9

> <Analog_preferred_name>
6-butyl-6-chloroundecane

> <Analog - index>
226|226|187|185

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID40280723
  Mrv1813 07271812452D          

 23 24  0  0  0  0            999 V2000
    4.3836   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6691   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3836    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6691    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3836    2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257    2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3836   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
  5 14  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
 17  3  2  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
 20 21  1  0  0  0  0
 22 20  1  0  0  0  0
  2 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40280723

> <Analog_DSSTox_Structure_Id>
DTXCID00231877

> <Analog_Original_SMILES>
CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1Cl)C1=CC(Cl)=C(O)C(Cl)=C1Cl

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1Cl)C1=CC(Cl)=C(O)C(Cl)=C1Cl

> <Analog_CASRN>
52733-51-4

> <Analog_preferred_name>
4,4'-propane-2,2-diylbis(2,3,6-trichlorophenol)

> <Analog - index>
1

> <OFR_ID>
61

> <OFR_DTXSID>
DTXSID3021770

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
79-95-8

> <similarity>
0.832

$$$$
DTXSID40282520
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    3.0054    1.7273    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.2047    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40282520

> <Analog_DSSTox_Structure_Id>
DTXCID40233673

> <Analog_Original_SMILES>
CC(C)(Cl)C1CCC(C)(Cl)CC1

> <Analog_Canonical_QSARr>
CC(C)(Cl)C1CCC(C)(Cl)CC1

> <Analog_CASRN>
4497-96-5

> <Analog_preferred_name>
1-chloro-4-(2-chloropropan-2-yl)-1-methylcyclohexane

> <Analog - index>
227|227|188|186

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID40296203
  Mrv1813 07271812452D          

 12 13  0  0  0  0            999 V2000
    1.6629   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3774   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5208    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2353    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2353   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5208   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3774    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40296203

> <Analog_DSSTox_Structure_Id>
DTXCID90247341

> <Analog_Original_SMILES>
BrC1CC2CCCCC2CC1Br

> <Analog_Canonical_QSARr>
BrC1CC2CCCCC2CC1Br

> <Analog_CASRN>
91011-91-5

> <Analog_preferred_name>
2,3-dibromodecahydronaphthalene

> <Analog - index>
14|4|4|169|16|10

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9487179487179487|0.95|0.95|0.8780487804878049|0.9024390243902439|0.925

$$$$
DTXSID40333925
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    2.6544   -1.5685    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -0.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9189   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683   -0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038   -0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394   -0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -0.5378    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3899   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394    0.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038    0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    0.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  2  1  0  0  0  0
 12 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
  6  9  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40333925

> <Analog_DSSTox_Structure_Id>
DTXCID80285015

> <Analog_Original_SMILES>
ClC12CC3(Cl)CC(C1)CC(C2)C3

> <Analog_Canonical_QSARr>
ClC12CC3(Cl)CC(C1)CC(C2)C3

> <Analog_CASRN>
16104-50-0

> <Analog_preferred_name>
1,3-Dichloroadamantane

> <Analog - index>
55|55|7|83

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.972972972972973|0.9210526315789473

$$$$
DTXSID40334856
  Mrv1813 07271812452D          

  8  7  0  0  0  0            999 V2000
    3.7932    1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40334856

> <Analog_DSSTox_Structure_Id>
DTXCID90285945

> <Analog_Original_SMILES>
CC(Br)C(Br)CCC

> <Analog_Canonical_QSARr>
CC(Br)C(Br)CCC

> <Analog_CASRN>
6423-02-5

> <Analog_preferred_name>
2,3-dibromohexane

> <Analog - index>
45

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8181818181818182

$$$$
DTXSID40337706
  Mrv1813 07271812452D          

 18 17  0  0  0  0            999 V2000
    1.6496   -0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0798    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7943   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3666    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7956    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40337706

> <Analog_DSSTox_Structure_Id>
DTXCID30288793

> <Analog_Original_SMILES>
ClCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
7735-39-9

> <Analog_preferred_name>
1,16-Dichlorohexadecane

> <Analog - index>
112|112|46|33

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID40340497
  Mrv1813 07271812452D          

  8  9  0  0  0  0            999 V2000
    1.0314    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8564    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40340497

> <Analog_DSSTox_Structure_Id>
DTXCID60291578

> <Analog_Original_SMILES>
BrC1C2CCCCC21

> <Analog_Canonical_QSARr>
BrC1C2CCCCC21

> <Analog_CASRN>
1121-39-7

> <Analog_preferred_name>
7-Bromobicyclo[4.1.0]heptane

> <Analog - index>
204|212|212|214|214|209

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID40340795
  Mrv1813 07271812452D          

 17 16  0  0  0  0            999 V2000
    2.0152   -0.3425    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7297   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441   -0.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1586   -0.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8731   -0.3425    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5876    0.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3020   -0.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0165    0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7310   -0.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454    0.0700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2856   -1.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8731   -1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2856   -2.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8731   -3.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2856   -3.9148    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4606    0.3720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441    0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  2  0  0  0  0
  3 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40340795

> <Analog_DSSTox_Structure_Id>
DTXCID60291876

> <Analog_Original_SMILES>
CC(CCl)OP(=O)(OCCCCl)OCCCCl

> <Analog_Canonical_QSARr>
CC(CCl)OP(=O)(OCCCCl)OCCCCl

> <Analog_CASRN>
137888-35-8

> <Analog_preferred_name>
Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester

> <Analog - index>
2|4|1|5

> <OFR_ID>
10|49|138|140

> <OFR_DTXSID>
DTXSID9070406|DTXSID8028000|DTXSID7023805|DTXSID3027615

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-3-CHLOROPROPYL BIS(2-CHLORO-1-(CHLOROMETHYL)ETHYL)PHOSPHATE|PHOSPHORIC ACID, 2,2-BIS(CHLOROMETHYL)-1,3-PROPANEDIYL TETRAKIS(2-CHLOROETHYL) ESTER|TRIS(2,3-DICHLOROPROPYL)PHOSPHATE|?

> <OFR_CASRN>
66108-37-0|38051-10-4|78-43-3|6145-73-9

> <similarity>
0.8235294117647058|0.8235294117647058|0.9726027397260274|0.8888888888888888

$$$$
DTXSID40366531
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    2.1164   -1.8141    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8308   -1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308   -0.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803   -0.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5664   -0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    0.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803    0.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    0.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
 12 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  7  9  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40366531

> <Analog_DSSTox_Structure_Id>
DTXCID10317570

> <Analog_Original_SMILES>
ClCC12CC3CC(C1)CC(C2)C3

> <Analog_Canonical_QSARr>
ClCC12CC3CC(C1)CC(C2)C3

> <Analog_CASRN>
770-70-7

> <Analog_preferred_name>
1-(chloromethyl)adamantane

> <Analog - index>
113|113|47|34

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID40377844
  Mrv1813 07271812462D          

 13 15  0  0  0  0            999 V2000
    2.9655   -1.4417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301   -0.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795   -0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795    0.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506    0.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506   -0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150   -0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7011   -0.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004   -0.5745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 11  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 10  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  0  0  0  0
  2 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40377844

> <Analog_DSSTox_Structure_Id>
DTXCID00328872

> <Analog_Original_SMILES>
BrC12CC3(CC(C1)CC(C2)C3)CBr

> <Analog_Canonical_QSARr>
BrC12CC3(CC(C1)CC(C2)C3)CBr

> <Analog_CASRN>
1822-25-9

> <Analog_preferred_name>
1-Bromo-3-(bromomethyl)adamantane

> <Analog - index>
165|5|5|170|17|11

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9|0.95|0.95|0.8780487804878049|0.9024390243902439|0.925

$$$$
DTXSID40382731
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    4.5079   -2.9428    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -2.1178    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.1178    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0553    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40382731

> <Analog_DSSTox_Structure_Id>
DTXCID70333756

> <Analog_Original_SMILES>
CCOP(OCC(Cl)(Cl)Cl)OCC

> <Analog_Canonical_QSARr>
CCOP(OCC(Cl)(Cl)Cl)OCC

> <Analog_CASRN>
82564-87-2

> <Analog_preferred_name>
Phosphorous acid, diethyl 2,2,2-trichloroethyl ester

> <Analog - index>
0|23|1

> <OFR_ID>
106|108|137

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|-

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|?

> <OFR_CASRN>
140-08-9|115-96-8|-

> <similarity>
0.9302325581395349|0.8163265306122449|0.8333333333333334

$$$$
DTXSID4038346
  Mrv1813 07271812472D          

 18 20  0  0  0  0            999 V2000
    0.4085    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3077    0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438    1.2457    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -0.3016    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -0.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2036   -1.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9146   -0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079    0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6484    0.5795    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    0.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9453    0.0268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9332   -0.6248    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    1.4163    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6618   -1.1017    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2336   -1.9615    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4038346

> <Analog_DSSTox_Structure_Id>
DTXCID10820190

> <Analog_Original_SMILES>
ClC1(Cl)[C@@]2(Cl)[C@@H]3C[C@H](Cl)[C@@H](Cl)[C@@H]3[C@]1(Cl)C(Cl)=C2Cl |&1:3,5,7,9,11,12|

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
5103-74-2

> <Analog_preferred_name>
trans-Chlordane

> <Analog - index>
6|6

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.9243697478991597|0.923728813559322

$$$$
DTXSID4044452
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
    0.7364    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4509   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1654    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232    0.0068    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0219   -0.4057    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4044452

> <Analog_DSSTox_Structure_Id>
DTXCID2024452

> <Analog_Original_SMILES>
BrCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCBr

> <Analog_CASRN>
629-03-8

> <Analog_preferred_name>
1,6-Dibromohexane

> <Analog - index>
10

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8787878787878788

$$$$
DTXSID40445234
  Mrv1813 07271812462D          

 21 20  0  0  0  0            999 V2000
    1.6501    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6527    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0816    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  1  0  0  0  0
  4 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40445234

> <Analog_DSSTox_Structure_Id>
DTXCID40396055

> <Analog_Original_SMILES>
CC(C)CCCC(C)CCCC(C)CCCC(C)CCBr

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCCC(C)CCCC(C)CCBr

> <Analog_CASRN>
2791-57-3

> <Analog_preferred_name>
Phytanyl Bromide

> <Analog - index>
59|80|80|63|113|111

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID40458945
  Mrv1813 07271812462D          

 26 25  0  0  0  0            999 V2000
    1.6506   -0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3651    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7940    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2230    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9374   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6519    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3664   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7953   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5098    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2243   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9387    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6532   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3677    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0821   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5111   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2256    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9400   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6545    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3690   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0834    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7979   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5124    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40458945

> <Analog_DSSTox_Structure_Id>
DTXCID30409764

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
34540-51-7

> <Analog_preferred_name>
Tetracosane, 1,24-dibromo-

> <Analog - index>
60|81|81|64|114|112

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID40468605
  Mrv1813 07271812462D          

 16 16  0  0  0  0            999 V2000
    4.1506   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2927   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40468605

> <Analog_DSSTox_Structure_Id>
DTXCID30419424

> <Analog_Original_SMILES>
CC(C)(C)C1=CC(Br)=C(OCC=C)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C)(C)C1=CC(Br)=C(OCC=C)C(Br)=C1

> <Analog_CASRN>
104207-39-8

> <Analog_preferred_name>
Benzene, 1,3-dibromo-5-(1,1-dimethylethyl)-2-(2-propenyloxy)-

> <Analog - index>
0

> <OFR_ID>
86

> <OFR_DTXSID>
DTXSID2029327

> <OFR_PREFERRED_NAME>
BENZENE, 1,1'-(1-METHYLETHYLIDENE)BIS[3,5-DIBROMO-4-(2-PROPENYLOXY)-

> <OFR_CASRN>
25327-89-3

> <similarity>
0.8553459119496856

$$$$
DTXSID40470066
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    3.2088   -1.4063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -2.2313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40470066

> <Analog_DSSTox_Structure_Id>
DTXCID40420884

> <Analog_Original_SMILES>
CC1=CC=C(C=C1)C(Br)CBr

> <Analog_Canonical_QSARr>
CC1=CC=C(C=C1)C(Br)CBr

> <Analog_CASRN>
33458-08-1

> <Analog_preferred_name>
Benzene, 1-(1,2-dibromoethyl)-4-methyl-

> <Analog - index>
10

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8387096774193549

$$$$
DTXSID40477015
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    5.4605   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  6 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  2 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40477015

> <Analog_DSSTox_Structure_Id>
DTXCID10427825

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1Br)OC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1Br)OC1C=CC=CC=1

> <Analog_CASRN>
189084-59-1

> <Analog_preferred_name>
3,4-Dibromodiphenyl ether

> <Analog - index>
32

> <OFR_ID>
36

> <OFR_DTXSID>
DTXSID9030048

> <OFR_PREFERRED_NAME>
PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
60348-60-9

> <similarity>
0.8282828282828283

$$$$
DTXSID40479251
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    4.6333    0.5958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9189    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4899    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4899   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9189   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333   -1.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40479251

> <Analog_DSSTox_Structure_Id>
DTXCID60430061

> <Analog_Original_SMILES>
OC1C=CC=C(F)C=1Br

> <Analog_Canonical_QSARr>
OC1C=CC=C(F)C=1Br

> <Analog_CASRN>
443-81-2

> <Analog_preferred_name>
2-Bromo-3-fluorophenol

> <Analog - index>
18

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.803030303030303

$$$$
DTXSID40483616
  Mrv1813 07271812462D          

 17 19  0  0  0  0            999 V2000
    2.3736   -2.3779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881   -1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170   -1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    2.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 10 15  1  0  0  0  0
 16  9  2  0  0  0  0
 17 16  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40483616

> <Analog_DSSTox_Structure_Id>
DTXCID40434426

> <Analog_Original_SMILES>
BrC1=CC=C(C2=CC=CC=C21)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1=CC=C(C2=CC=CC=C21)C1C=CC=CC=1

> <Analog_CASRN>
59951-65-4

> <Analog_preferred_name>
1-Bromo-4-phenylnaphthalene

> <Analog - index>
15|8

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8214285714285714|0.8809523809523809

$$$$
DTXSID40484961
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    4.5078   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40484961

> <Analog_DSSTox_Structure_Id>
DTXCID40435771

> <Analog_Original_SMILES>
BrC1=CC(Br)=CC(=C1)C1=CC(Br)=CC=C1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=CC(=C1)C1=CC(Br)=CC=C1

> <Analog_CASRN>
855255-44-6

> <Analog_preferred_name>
1,1'-Biphenyl, 3,3',5-tribromo-

> <Analog - index>
11|1|15|66

> <OFR_ID>
34|38|39|43

> <OFR_DTXSID>
-|DTXSID0075108|DTXSID4074770|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
-|16400-50-3|77102-82-0|115245-07-3

> <similarity>
0.8539325842696629|0.8414634146341463|0.8222222222222222|0.801980198019802

$$$$
DTXSID40485913
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    5.4972    3.5063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -1.4437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4972   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4972   -1.4437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40485913

> <Analog_DSSTox_Structure_Id>
DTXCID40436723

> <Analog_Original_SMILES>
BrCCCC(CCCBr)CCCBr

> <Analog_Canonical_QSARr>
BrCCCC(CCCBr)CCCBr

> <Analog_CASRN>
61582-71-6

> <Analog_preferred_name>
Heptane, 1,7-dibromo-4-(3-bromopropyl)-

> <Analog - index>
234|196|197|233

> <OFR_ID>
2|20|128|129

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.8461538461538461|0.825|0.8

$$$$
DTXSID40497738
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.8181    1.2376    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8181    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1036    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2457    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5325    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9615    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760    0.4126    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40497738

> <Analog_DSSTox_Structure_Id>
DTXCID40448548

> <Analog_Original_SMILES>
CCCCCCC(Br)CCCBr

> <Analog_Canonical_QSARr>
CCCCCCC(Br)CCCBr

> <Analog_CASRN>
70690-25-4

> <Analog_preferred_name>
1,4-Dibromodecane

> <Analog - index>
123|16|16|126|34|28

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9230769230769231|0.925|0.925|0.9|0.8780487804878049|0.9

$$$$
DTXSID40498987
  Mrv1813 07271812462D          

 20 22  0  0  0  0            999 V2000
    2.3644   -4.1250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.1250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 10 16  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
  6 18  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  2  0  0  0  0
  2 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40498987

> <Analog_DSSTox_Structure_Id>
DTXCID40449797

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC(Br)=CC=1

> <Analog_CASRN>
17788-94-2

> <Analog_preferred_name>
1~4~,3~4~-Dibromo-1~1~,2~1~:2~4~,3~1~-terphenyl

> <Analog - index>
0|16

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.9078947368421053|0.8518518518518519

$$$$
DTXSID40499555
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    5.0795   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0795    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7940    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2229    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40499555

> <Analog_DSSTox_Structure_Id>
DTXCID60450365

> <Analog_Original_SMILES>
CCCC(Br)CCCCBr

> <Analog_Canonical_QSARr>
CCCC(Br)CCCCBr

> <Analog_CASRN>
17912-17-3

> <Analog_preferred_name>
1,5-Dibromooctane

> <Analog - index>
170|82|82|65|24|18

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8974358974358975|0.9|0.9|0.9230769230769231|0.9|0.9230769230769231

$$$$
DTXSID40500514
  Mrv1813 07271812432D          

  9  8  0  0  0  0            999 V2000
    1.5707    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2851    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285    0.2063    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.1430    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8575    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5720    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  CHG  1   5   1
M  END
> <Analog_dsstox_substance_id>
DTXSID40500514

> <Analog_DSSTox_Structure_Id>
DTXCID30451324

> <Analog_Original_SMILES>
CCO[P+](=O)OCCCl

> <Analog_Canonical_QSARr>
CCO[P+](=O)OCCCl

> <Analog_CASRN>
5514-40-9

> <Analog_preferred_name>
(2-Chloroethoxy)(ethoxy)oxophosphanium

> <Analog - index>
4|0|5|5

> <OFR_ID>
106|108|139|141

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
140-08-9|115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8541666666666666|0.9791666666666666|0.8867924528301887|0.9038461538461539

$$$$
DTXSID40501708
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    3.8959    1.2761    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8959    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959   -0.3739    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7209    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9584   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3709   -0.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1959   -0.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6084   -1.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584    1.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334    1.1656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40501708

> <Analog_DSSTox_Structure_Id>
DTXCID30452518

> <Analog_Original_SMILES>
CCCCCCC(Cl)(Cl)CCCl

> <Analog_Canonical_QSARr>
CCCCCCC(Cl)(Cl)CCCl

> <Analog_CASRN>
75296-43-4

> <Analog_preferred_name>
1,3,3-Trichlorononane

> <Analog - index>
73|73|15|150

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID40505726
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    3.3705    1.6356    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060   -0.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7409   -0.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7144    0.6795    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40505726

> <Analog_DSSTox_Structure_Id>
DTXCID70456535

> <Analog_Original_SMILES>
BrCC1(CCCC1)CBr

> <Analog_Canonical_QSARr>
BrCC1(CCCC1)CBr

> <Analog_CASRN>
68499-28-5

> <Analog_preferred_name>
1,1-Bis(bromomethyl)cyclopentane

> <Analog - index>
31

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID40506718
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    6.6951   -1.2657    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2826   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451    0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2201    0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826    0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5701    1.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7451    1.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451    1.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    2.3066    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6951    0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40506718

> <Analog_DSSTox_Structure_Id>
DTXCID70457527

> <Analog_Original_SMILES>
CC(Br)CC(CCBr)CCCCC

> <Analog_Canonical_QSARr>
CC(Br)CC(CCBr)CCCCC

> <Analog_CASRN>
79023-46-4

> <Analog_preferred_name>
2-Bromo-4-(2-bromoethyl)nonane

> <Analog - index>
124|17|17|8|35|29

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9230769230769231|0.925|0.925|0.9487179487179487|0.8780487804878049|0.9

$$$$
DTXSID40513184
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.2221    1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40513184

> <Analog_DSSTox_Structure_Id>
DTXCID20463991

> <Analog_Original_SMILES>
CCCCC(Br)C(Br)CCCC

> <Analog_Canonical_QSARr>
CCCCC(Br)C(Br)CCCC

> <Analog_CASRN>
77928-86-0

> <Analog_preferred_name>
5,6-Dibromodecane

> <Analog - index>
176|189|189|204|203|197

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.825|0.8048780487804879|0.825

$$$$
DTXSID40517066
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    3.0789    1.4437    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4437    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40517066

> <Analog_DSSTox_Structure_Id>
DTXCID60467872

> <Analog_Original_SMILES>
ClC(Cl)C1CCCCC1

> <Analog_Canonical_QSARr>
ClC(Cl)C1CCCCC1

> <Analog_CASRN>
24099-71-6

> <Analog_preferred_name>
(Dichloromethyl)cyclohexane

> <Analog - index>
244

> <OFR_ID>
95

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8421052631578947

$$$$
DTXSID40526279
  Mrv1813 07271812462D          

 12 14  0  0  0  0            999 V2000
    3.3816    1.4731    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4229    0.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5437   -0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990   -1.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656   -0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1958   -0.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40526279

> <Analog_DSSTox_Structure_Id>
DTXCID30477084

> <Analog_Original_SMILES>
ClC12CC3CC(CCC1)C2CC3

> <Analog_Canonical_QSARr>
ClC12CC3CC(CCC1)C2CC3

> <Analog_CASRN>
61059-32-3

> <Analog_preferred_name>
1-Chlorodecahydro-1,6-methanonaphthalene

> <Analog - index>
174|174|119|107

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID4052685
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    5.5494   -2.2024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   -1.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   -0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1205   -0.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1205    0.2726    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6915   -0.5524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   -0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -0.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481   -0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481   -1.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1664   -2.2024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -3.0274    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   -1.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6915   -2.2024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -1.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1205   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17  6  2  0  0  0  0
 18 17  1  0  0  0  0
  2 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4052685

> <Analog_DSSTox_Structure_Id>
DTXCID8031283

> <Analog_Original_SMILES>
BrC1C=CC(OC2=CC=C(Br)C=C2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(OC2=CC=C(Br)C=C2Br)=C(Br)C=1Br

> <Analog_CASRN>
182346-21-0

> <Analog_preferred_name>
2,2',3,4,4'-Pentabromodiphenyl ether (BDE 85)

> <Analog - index>
14|3|9|7|1|6|1|4|6

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8125|0.9578947368421052|0.9270833333333334|0.9270833333333334|0.9473684210526315|0.8723404255319149|0.9894736842105263|0.8829787234042553|0.8723404255319149

$$$$
DTXSID40528819
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    1.6500   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40528819

> <Analog_DSSTox_Structure_Id>
DTXCID30479624

> <Analog_Original_SMILES>
CCCCCCCC(C)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCC(C)(Cl)Cl

> <Analog_CASRN>
66250-04-2

> <Analog_preferred_name>
2,2-Dichlorononane

> <Analog - index>
207|207|172|171

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID40537926
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    2.3785   -1.2518    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3785   -0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074    1.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074   -0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    1.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40537926

> <Analog_DSSTox_Structure_Id>
DTXCID50488713

> <Analog_Original_SMILES>
ClC1CCCC2CCCCC21

> <Analog_Canonical_QSARr>
ClC1CCCC2CCCCC21

> <Analog_CASRN>
98295-90-0

> <Analog_preferred_name>
1-Chlorodecahydronaphthalene

> <Analog - index>
114|114|48|35

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID40552735
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    5.9369    1.2670    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40552735

> <Analog_DSSTox_Structure_Id>
DTXCID70503518

> <Analog_Original_SMILES>
CCCCCCC(Br)CCCCCC

> <Analog_Canonical_QSARr>
CCCCCCC(Br)CCCCCC

> <Analog_CASRN>
61539-84-2

> <Analog_preferred_name>
7-Bromotridecane

> <Analog - index>
143|164|164|147|189|187

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID40556652
  Mrv1813 07271812462D          

 22 23  0  0  0  0            999 V2000
    5.4187   -0.2298    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898    0.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    1.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898    2.2452    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    2.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    3.0702    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8464    1.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464    1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1319    0.5952    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608   -0.2298    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2753   -0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548   -0.7285    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2753   -1.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608   -1.8798    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9898   -1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898   -2.7048    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4187   -1.8798    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  3  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  2  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40556652

> <Analog_DSSTox_Structure_Id>
DTXCID10507434

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C1Br

> <Analog_CASRN>
437701-78-5

> <Analog_preferred_name>
1,2,3,4,5-Pentabromo-6-(2,3,5,6-tetrabromophenoxy)benzene

> <Analog - index>
1|15

> <OFR_ID>
13|24

> <OFR_DTXSID>
DTXSID9020376|DTXSID9047548

> <OFR_PREFERRED_NAME>
BIS(PENTABROMOPHENYL) ETHER|OCTABROMODIPHENYL ETHER

> <OFR_CASRN>
1163-19-5|85446-17-9

> <similarity>
0.8194444444444444|0.8095238095238095

$$$$
DTXSID40557220
  Mrv1813 07271812462D          

 14 14  0  0  0  0            999 V2000
    5.3244    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6100    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1810   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8955   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955   -1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6100   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3244   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
  2 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40557220

> <Analog_DSSTox_Structure_Id>
DTXCID10508002

> <Analog_Original_SMILES>
BrC1C(CBr)=C(CBr)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C(CBr)=C(CBr)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
53042-28-7

> <Analog_preferred_name>
1,2,3,4-Tetrabromo-5,6-bis(bromomethyl)benzene

> <Analog - index>
1

> <OFR_ID>
122

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4,5-pentabromo-6-(bromomethyl)-

> <OFR_CASRN>
-

> <similarity>
0.8548387096774194

$$$$
DTXSID40560057
  Mrv1813 07271812462D          

 14 14  0  0  0  0            999 V2000
    4.3547    0.5304    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    1.7679    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968    0.5304    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2113   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968   -1.1196    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -1.9446    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6402   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0692   -0.7071    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40560057

> <Analog_DSSTox_Structure_Id>
DTXCID40510835

> <Analog_Original_SMILES>
BrC1C(CBr)=C(Br)C(CBr)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C(CBr)=C(Br)C(CBr)=C(Br)C=1Br

> <Analog_CASRN>
56879-04-0

> <Analog_preferred_name>
1,2,3,5-Tetrabromo-4,6-bis(bromomethyl)benzene

> <Analog - index>
3

> <OFR_ID>
122

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4,5-pentabromo-6-(bromomethyl)-

> <OFR_CASRN>
-

> <similarity>
0.8153846153846154

$$$$
DTXSID40567905
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    4.5079    1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40567905

> <Analog_DSSTox_Structure_Id>
DTXCID40518679

> <Analog_Original_SMILES>
COC(=O)CC(Br)CCCBr

> <Analog_Canonical_QSARr>
COC(=O)CC(Br)CCCBr

> <Analog_CASRN>
89261-15-4

> <Analog_preferred_name>
Methyl 3,6-dibromohexanoate

> <Analog - index>
13

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8354430379746836

$$$$
DTXSID4057974
  Mrv1813 07271812442D          

 17 19  0  0  0  0            999 V2000
    2.5776   -1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570   -2.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -2.6624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -3.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717   -3.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -2.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798   -1.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620   -2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.7808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3553   -3.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010   -3.4717    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0664   -3.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288   -4.3369    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1926   -2.9790    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -2.3472    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0551   -0.9372    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12  5  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4057974

> <Analog_DSSTox_Structure_Id>
DTXCID2031742

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3CC(Cl)CC3C1(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3CC(Cl)CC3C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
14168-01-5

> <Analog_preferred_name>
Dilor

> <Analog - index>
6|4|4

> <OFR_ID>
48|71|77

> <OFR_DTXSID>
DTXSID80866227|-|DTXSID7027750

> <OFR_PREFERRED_NAME>
Hexachlorocyclopentadienyl-dibromocyclooctane|1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
51936-55-1|-|13560-89-9

> <similarity>
0.816793893129771|0.9649122807017544|0.9646017699115044

$$$$
DTXSID4058817
  Mrv1813 07271812442D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4058817

> <Analog_DSSTox_Structure_Id>
DTXCID3048104

> <Analog_Original_SMILES>
BrCC(Br)Br

> <Analog_Canonical_QSARr>
BrCC(Br)Br

> <Analog_CASRN>
78-74-0

> <Analog_preferred_name>
Ethane, 1,1,2-tribromo-

> <Analog - index>
3|4

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
1.0|0.9090909090909091

$$$$
DTXSID40598017
  Mrv1813 07271812462D          

 12 13  0  0  0  0            999 V2000
    5.2764   -1.5587    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0389   -0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8014   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889    0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569    0.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8014    1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800    0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0389    0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40598017

> <Analog_DSSTox_Structure_Id>
DTXCID60548776

> <Analog_Original_SMILES>
CC1(C)C2CC1CCC2CCBr

> <Analog_Canonical_QSARr>
CC1(C)C2CC1CCC2CCBr

> <Analog_CASRN>
53207-03-7

> <Analog_preferred_name>
2-(2-Bromoethyl)-6,6-dimethylbicyclo[3.1.1]heptane

> <Analog - index>
61|83|83|66|115|113

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID40603413
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    1.9097   -2.7750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    2.1750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40603413

> <Analog_DSSTox_Structure_Id>
DTXCID60554170

> <Analog_Original_SMILES>
BrCCC1=CC=C(CBr)C=C1

> <Analog_Canonical_QSARr>
BrCCC1=CC=C(CBr)C=C1

> <Analog_CASRN>
79050-33-2

> <Analog_preferred_name>
1-(2-Bromoethyl)-4-(bromomethyl)benzene

> <Analog - index>
14

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8020833333333334

$$$$
DTXSID4060654
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    1.2702    0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557    2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588    0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -1.1458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2702    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846    1.3292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4060654

> <Analog_DSSTox_Structure_Id>
DTXCID9043063

> <Analog_Original_SMILES>
NC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
NC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
615-57-6

> <Analog_preferred_name>
2,4-Dibromoaniline

> <Analog - index>
2

> <OFR_ID>
111

> <OFR_DTXSID>
DTXSID5051733

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
147-82-0

> <similarity>
0.8448275862068966

$$$$
DTXSID40608049
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40608049

> <Analog_DSSTox_Structure_Id>
DTXCID70558806

> <Analog_Original_SMILES>
CCCCCC(C)CCCl

> <Analog_Canonical_QSARr>
CCCCCC(C)CCCl

> <Analog_CASRN>
61979-76-8

> <Analog_preferred_name>
1-Chloro-3-methyloctane

> <Analog - index>
175|175|120|108

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID4060864
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4060864

> <Analog_DSSTox_Structure_Id>
DTXCID9043566

> <Analog_Original_SMILES>
CCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCl

> <Analog_CASRN>
629-06-1

> <Analog_preferred_name>
Heptane, 1-chloro-

> <Analog - index>
229|225

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID40616285
  Mrv1813 07271812462D          

 17 18  0  0  0  0            999 V2000
    5.6847   -0.1213    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9703   -0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558   -0.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558    0.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413    1.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413    1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558    2.3537    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8269    2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124    1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124    1.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -0.1213    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5413   -0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413   -1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558   -1.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558   -2.5963    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9703   -1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40616285

> <Analog_DSSTox_Structure_Id>
DTXCID80567040

> <Analog_Original_SMILES>
BrC1C=C(Br)C=CC=1OC1C(Br)=CC=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=CC=1OC1C(Br)=CC=CC=1Br

> <Analog_CASRN>
189084-57-9

> <Analog_preferred_name>
1,3-Dibromo-2-(2,4-dibromophenoxy)benzene

> <Analog - index>
38|0|41|0|2

> <OFR_ID>
31|35|36|41|44

> <OFR_DTXSID>
DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8061224489795918|0.9310344827586207|0.81|0.9204545454545454|0.9090909090909091

$$$$
DTXSID4062226
  Mrv1813 07271812442D          

 10  9  0  0  0  0            999 V2000
    2.2835    2.1434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    2.5559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4062226

> <Analog_DSSTox_Structure_Id>
DTXCID3036521

> <Analog_Original_SMILES>
ClCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCl

> <Analog_CASRN>
2162-99-4

> <Analog_preferred_name>
Octane, 1,8-dichloro-

> <Analog - index>
176|176|121|109

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID4062985
  Mrv1813 07271812442D          

 14 13  0  0  0  0            999 V2000
    9.7597    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0453    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3308    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6163    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9019    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4729    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7584    3.5724    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.4742    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1887    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9032    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3321    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0466    3.9849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4062985

> <Analog_DSSTox_Structure_Id>
DTXCID9038686

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCBr

> <Analog_CASRN>
3344-70-5

> <Analog_preferred_name>
Dodecane, 1,12-dibromo-

> <Analog - index>
62|84|84|67|116|114

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID4063298
  Mrv1813 07271812442D          

 12 11  0  0  0  0            999 V2000
    7.0933    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6644    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5210    2.8578    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.8078    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2367    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6657    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4063298

> <Analog_DSSTox_Structure_Id>
DTXCID6039845

> <Analog_Original_SMILES>
BrCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCBr

> <Analog_CASRN>
4101-68-2

> <Analog_preferred_name>
Decane, 1,10-dibromo-

> <Analog - index>
63|85|85|68|117|115

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID4063458
  Mrv1813 07271812442D          

 20 19  0  0  0  0            999 V2000
   15.6165    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9020    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4730    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7586    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0441    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3296    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6152    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9007    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1862    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4717    5.7161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.3309    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0454    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7599    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4743    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1888    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9033    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6177    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3322    5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0467    6.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4063458

> <Analog_DSSTox_Structure_Id>
DTXCID7040310

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
4434-66-6

> <Analog_preferred_name>
Nonadecane, 1-bromo-

> <Analog - index>
64|86|86|69|118|116

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID40648228
  Mrv1813 07271812472D          

  9  9  0  0  0  0            999 V2000
    3.0740    1.0537    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7060    0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380    1.0537    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2935   -0.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8646   -0.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1501   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1185   -0.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40648228

> <Analog_DSSTox_Structure_Id>
DTXCID60598978

> <Analog_Original_SMILES>
CC1C(CCC)C1(Br)Br

> <Analog_Canonical_QSARr>
CC1C(CCC)C1(Br)Br

> <Analog_CASRN>
62845-97-0

> <Analog_preferred_name>
1,1-Dibromo-2-methyl-3-propylcyclopropane

> <Analog - index>
52

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID40676001
  Mrv1813 07271812472D          

 30 34  0  0  0  0            999 V2000
    4.0611    1.1847    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4100    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070    0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -0.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5534   -0.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5534   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1854    0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9824   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2174   -0.9098    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    0.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    0.6161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5207    1.5383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9824    1.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0937    2.4671    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6968    1.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4524    1.5950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6968    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4560   -0.0771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2679    1.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0957   -2.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2038   -0.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894   -1.1423    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    0.0757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6955   -0.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041   -1.2590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6955   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273    0.3424    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18  9  1  0  0  0  0
 18 19  1  0  0  0  0
 20 14  1  0  0  0  0
  8 20  1  0  0  0  0
  7 21  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24  2  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 29 27  2  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40676001

> <Analog_DSSTox_Structure_Id>
DTXCID10626750

> <Analog_Original_SMILES>
ClC12CC(C3CC4C(CC3)C3(Cl)C(Cl)=C(Cl)C4(Cl)C3(Cl)Cl)C(Cl)(C(Cl)=C1Cl)C2(Cl)Cl

> <Analog_Canonical_QSARr>
ClC12CC(C3CC4C(CC3)C3(Cl)C(Cl)=C(Cl)C4(Cl)C3(Cl)Cl)C(Cl)(C(Cl)=C1Cl)C2(Cl)Cl

> <Analog_CASRN>
26595-57-3

> <Analog_preferred_name>
1,2,3,4,9,9-Hexachloro-6-(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalene

> <Analog - index>
2|1|1

> <OFR_ID>
48|71|77

> <OFR_DTXSID>
DTXSID80866227|-|DTXSID7027750

> <OFR_PREFERRED_NAME>
Hexachlorocyclopentadienyl-dibromocyclooctane|1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
51936-55-1|-|13560-89-9

> <similarity>
0.84251968503937|0.9819819819819819|1.0

$$$$
DTXSID40697791
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    3.7934   -1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0802   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.9207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40697791

> <Analog_DSSTox_Structure_Id>
DTXCID80648540

> <Analog_Original_SMILES>
ClCC(Cl)CCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCC(Cl)CCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
865306-21-4

> <Analog_preferred_name>
1,1,1,3,8,9-Hexachlorononane

> <Analog - index>
11|11|74|195

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.925|0.8780487804878049

$$$$
DTXSID40699598
  Mrv1813 07271812472D          

 20 19  0  0  0  0            999 V2000
    3.7928   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7928   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9363    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5086   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2231    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9376    0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8106    0.9207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6356   -0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9514    0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7764   -0.9207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40699598

> <Analog_DSSTox_Structure_Id>
DTXCID00650347

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)CCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)CCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
601523-21-1

> <Analog_preferred_name>
1,1,1,3,10,12,12,12-Octachlorododecane

> <Analog - index>
74|74|16|151

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID40700739
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    2.2931   -2.3513    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0075   -1.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220   -0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4365    0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4365    1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4365    2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2615    1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115    1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40700739

> <Analog_DSSTox_Structure_Id>
DTXCID70651487

> <Analog_Original_SMILES>
CC(C)(C)CCCCCBr

> <Analog_Canonical_QSARr>
CC(C)(C)CCCCCBr

> <Analog_CASRN>
54216-75-0

> <Analog_preferred_name>
1-Bromo-6,6-dimethylheptane

> <Analog - index>
241

> <OFR_ID>
2

> <OFR_DTXSID>
DTXSID70180181

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-

> <OFR_CASRN>
25495-98-1

> <similarity>
0.8157894736842105

$$$$
DTXSID40724016
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    6.0163   -0.1375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3018   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    3.1625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295    2.3375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584   -1.7875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -2.6125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3018   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40724016

> <Analog_DSSTox_Structure_Id>
DTXCID60674761

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
446254-80-4

> <Analog_preferred_name>
1,2,4-Tribromo-5-(3,4-dibromophenoxy)benzene

> <Analog - index>
11|5|6|4|2|9|2|9|8

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8229166666666666|0.9479166666666666|0.9375|0.9375|0.9375|0.84375|0.9791666666666666|0.8541666666666666|0.8631578947368421

$$$$
DTXSID4074774
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
   -1.3609    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754    1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754    2.2589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5043    1.4339    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5043   -0.2161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -1.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   -1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   -2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -2.6911    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464   -2.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464   -3.5161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0681   -2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825   -2.6911    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0681   -1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825   -1.0411    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464   -1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464   -0.2161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4074774

> <Analog_DSSTox_Structure_Id>
DTXCID9040346

> <Analog_Original_SMILES>
BrC1C=CC(OC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(OC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_CASRN>
446255-38-5

> <Analog_preferred_name>
PBDE 195

> <Analog - index>
4|4|5|8|12|16|8|23

> <OFR_ID>
24|26|27|30|31|35|36|41

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1

> <similarity>
0.8681318681318682|0.956989247311828|0.946236559139785|0.925531914893617|0.9052631578947369|0.8105263157894737|0.9270833333333334|0.8020833333333334

$$$$
DTXSID4074776
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    4.3550   -4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405   -3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405   -3.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9261   -2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9261   -1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405   -1.3555    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2116   -1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2116   -0.5305    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4971   -1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826   -1.3555    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4971   -2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826   -3.0055    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2116   -3.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2116   -3.8305    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9261   -4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9261   -5.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2116   -5.4805    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6405   -5.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405   -6.3055    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3550   -5.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695   -5.4805    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID4074776

> <Analog_DSSTox_Structure_Id>
DTXCID9040348

> <Analog_Original_SMILES>
BrC1C=C(C=C(Br)C=1Br)OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C=C(Br)C=1Br)OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
446255-56-7

> <Analog_preferred_name>
PBDE 205

> <Analog - index>
1|24|24|25|26|36

> <OFR_ID>
24|26|27|30|31|36

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.9512195121951219|0.8494623655913979|0.8387096774193549|0.8191489361702128|0.8387096774193549|0.8229166666666666

$$$$
DTXSID40751387
  Mrv1813 07271812472D          

 14 15  0  0  0  0            999 V2000
    0.8192   -0.5605    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5337   -0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5337    0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626    0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482   -0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3916    0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1061    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8205    0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5350    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176    0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413    0.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40751387

> <Analog_DSSTox_Structure_Id>
DTXCID80702131

> <Analog_Original_SMILES>
CCCCCC12CCC(Cl)(CC1)CC2

> <Analog_Canonical_QSARr>
CCCCCC12CCC(Cl)(CC1)CC2

> <Analog_CASRN>
89027-51-0

> <Analog_preferred_name>
1-Chloro-4-pentylbicyclo[2.2.2]octane

> <Analog - index>
177|177|122|110

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID40757127
  Mrv1813 07271812472D          

 11 12  0  0  0  0            999 V2000
    0.9508    0.0708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7633    0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922    0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922   -0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778   -1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3403   -0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3403    0.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7633   -0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0488   -1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811    0.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40757127

> <Analog_DSSTox_Structure_Id>
DTXCID10707871

> <Analog_Original_SMILES>
CC1C2CCC(CC2)C1(C)Cl

> <Analog_Canonical_QSARr>
CC1C2CCC(CC2)C1(C)Cl

> <Analog_CASRN>
91311-15-8

> <Analog_preferred_name>
2-Chloro-2,3-dimethylbicyclo[2.2.2]octane

> <Analog - index>
178|178|123|111

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID40759949
  Mrv1813 07271812482D          

  9  9  0  0  0  0            999 V2000
    6.9483    2.3449    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2339    1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194    2.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194    3.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    1.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194    0.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339    1.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483    0.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40759949

> <Analog_DSSTox_Structure_Id>
DTXCID00710692

> <Analog_Original_SMILES>
CC(O)=O.CC(O)=O.OC1C=CC=C(O)C=1Br

> <Analog_Canonical_QSARr>
OC1C=CC=C(O)C=1Br

> <Analog_CASRN>
96299-81-9

> <Analog_preferred_name>
Acetic acid--2-bromobenzene-1,3-diol (2/1)

> <Analog - index>
13

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8225806451612904

$$$$
DTXSID40760979
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    1.6498   -0.3849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -1.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -3.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058   -3.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -0.3849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    2.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    2.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 12  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40760979

> <Analog_DSSTox_Structure_Id>
DTXCID20711722

> <Analog_Original_SMILES>
CC(C)C1C=C(Br)C(OCC2CO2)=C(Br)C=1

> <Analog_Canonical_QSARr>
CC(C)C1C=C(Br)C(OCC2CO2)=C(Br)C=1

> <Analog_CASRN>
101329-30-0

> <Analog_preferred_name>
2-{[2,6-Dibromo-4-(propan-2-yl)phenoxy]methyl}oxirane

> <Analog - index>
3

> <OFR_ID>
87

> <OFR_DTXSID>
DTXSID0052700

> <OFR_PREFERRED_NAME>
Oxirane, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bis-

> <OFR_CASRN>
3072-84-2

> <similarity>
0.8152173913043478

$$$$
DTXSID40768374
  Mrv1813 07271812472D          

 33 34  0  0  0  0            999 V2000
    2.3644    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 22  1  0  0  0  0
 30 31  1  0  0  0  0
 32 30  2  0  0  0  0
 18 32  1  0  0  0  0
 33 14  2  0  0  0  0
  2 33  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40768374

> <Analog_DSSTox_Structure_Id>
DTXCID70719117

> <Analog_Original_SMILES>
O=S(=O)(C1=CC(Br)=C(OCCCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCCCC(Br)Br)C(Br)=C1

> <Analog_Canonical_QSARr>
O=S(=O)(C1=CC(Br)=C(OCCCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCCCC(Br)Br)C(Br)=C1

> <Analog_CASRN>
136624-55-0

> <Analog_preferred_name>
1,1'-Sulfonylbis[3,5-dibromo-4-(4,4-dibromobutoxy)benzene]

> <Analog - index>
4

> <OFR_ID>
78

> <OFR_DTXSID>
DTXSID5044942

> <OFR_PREFERRED_NAME>
1,1'-SULFONYLBIS[3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)BENZENE]

> <OFR_CASRN>
42757-55-1

> <similarity>
0.8315217391304348

$$$$
DTXSID40777845
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    5.9363   -1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9363   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6508    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7942   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40777845

> <Analog_DSSTox_Structure_Id>
DTXCID30820278

> <Analog_Original_SMILES>
ClC(CCC(Cl)C(Cl)CCC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(CCC(Cl)C(Cl)CCC(Cl)CCl)CCl

> <Analog_CASRN>
189350-94-5

> <Analog_preferred_name>
1,2,5,6,9,10-Hexachlorodecane

> <Analog - index>
16|16|202|67

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.95|0.95|0.875|0.9230769230769231

$$$$
DTXSID40783648
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    1.1205   -0.2968    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8349    0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599    0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0889    0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8034   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5178    0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9468    0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    0.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  3  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40783648

> <Analog_DSSTox_Structure_Id>
DTXCID80734391

> <Analog_Original_SMILES>
CCCCCC[C@H]1C[C@H]1Br

> <Analog_Canonical_QSARr>
CCCCCCC1CC1Br

> <Analog_CASRN>
34780-90-0

> <Analog_preferred_name>
(1R,2S)-1-Bromo-2-hexylcyclopropane

> <Analog - index>
65|87|87|70|119|117

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID40784534
  Mrv1813 07271812472D          

 27 28  0  0  0  0            999 V2000
    4.5078   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  8 19  1  0  0  0  0
 20  4  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  2  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40784534

> <Analog_DSSTox_Structure_Id>
DTXCID30735277

> <Analog_Original_SMILES>
O=S(=O)(C1=CC(Br)=C(OCCBr)C(Br)=C1)C1=CC(Br)=C(OCCBr)C(Br)=C1

> <Analog_Canonical_QSARr>
O=S(=O)(C1=CC(Br)=C(OCCBr)C(Br)=C1)C1=CC(Br)=C(OCCBr)C(Br)=C1

> <Analog_CASRN>
36711-63-4

> <Analog_preferred_name>
1,1'-Sulfonylbis[3,5-dibromo-4-(2-bromoethoxy)benzene]

> <Analog - index>
2

> <OFR_ID>
78

> <OFR_DTXSID>
DTXSID5044942

> <OFR_PREFERRED_NAME>
1,1'-SULFONYLBIS[3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)BENZENE]

> <OFR_CASRN>
42757-55-1

> <similarity>
0.8809523809523809

$$$$
DTXSID40794613
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    2.6773   -0.9653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8205   -0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453    0.1293    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6455   -0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0745   -0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7889   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5034   -0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2179   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9323   -0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330    0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330    1.3866    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  4  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40794613

> <Analog_DSSTox_Structure_Id>
DTXCID30745356

> <Analog_Original_SMILES>
CCCCCCC1C(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCC1C(Cl)C1(Cl)Cl

> <Analog_CASRN>
64531-24-4

> <Analog_preferred_name>
1,1,2-Trichloro-3-hexylcyclopropane

> <Analog - index>
38|38|78|201

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9230769230769231|0.875

$$$$
DTXSID40807318
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    5.5503   -3.1789    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5503   -1.5289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213   -1.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213   -0.7039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213    0.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    0.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    0.1211    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    1.7711    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9463   -0.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3588    0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1838    0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963   -0.7039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -0.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40807318

> <Analog_DSSTox_Structure_Id>
DTXCID70758061

> <Analog_Original_SMILES>
O=P(OCCCl)(OC(F)CCl)OC(F)CCl

> <Analog_Canonical_QSARr>
O=P(OCCCl)(OC(F)CCl)OC(F)CCl

> <Analog_CASRN>
62576-38-9

> <Analog_preferred_name>
2-Chloroethyl bis(2-chloro-1-fluoroethyl) phosphate

> <Analog - index>
9|4|10|10

> <OFR_ID>
106|108|139|141

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
140-08-9|115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8076923076923077|0.9230769230769231|0.8421052631578947|0.8571428571428571

$$$$
DTXSID40858926
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    0.3547    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3598   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0743    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0743    1.0252    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032    0.2002    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887   -1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -1.4498    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0743   -1.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3598   -1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -1.0373    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4981   -0.2123    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4981    1.4377    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0691    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
  2 10  1  0  0  0  0
 11  1  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40858926

> <Analog_DSSTox_Structure_Id>
DTXCID305382

> <Analog_Original_SMILES>
BrC1C=CC(C2C=CC(Br)=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(C2C=CC(Br)=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_CASRN>
82865-89-2

> <Analog_preferred_name>
2,2',3,3',4,4'-Hexabromo-1,1'-biphenyl

> <Analog - index>
11|8|3|29|34|18|18|34|42|12

> <OFR_ID>
23|25|29|32|33|34|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.8350515463917526|0.9591836734693877|0.9693877551020408|0.9056603773584906|0.8653846153846154|0.826530612244898|0.8163265306122449|0.8867924528301887|0.8490566037735849|0.8247422680412371

$$$$
DTXSID40870921
  Mrv1813 07271812472D          

  8  7  0  0  0  0            999 V2000
    1.7604    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6183    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3328    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3328    0.6040    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40870921

> <Analog_DSSTox_Structure_Id>
DTXCID00818602

> <Analog_Original_SMILES>
CCCCCC(C)Br

> <Analog_Canonical_QSARr>
CCCCCC(C)Br

> <Analog_CASRN>
NOCAS_870921

> <Analog_preferred_name>
CERAPP_56434

> <Analog - index>
53

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID40871054
  Mrv1813 07271812472D          

 12 11  0  0  0  0            999 V2000
    4.2353    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3787    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0931    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8076    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2366    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9510    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9510    4.0952    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.6655    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3800    3.2702    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40871054

> <Analog_DSSTox_Structure_Id>
DTXCID00818728

> <Analog_Original_SMILES>
CCCCCCCCC(Br)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCC(Br)CBr

> <Analog_CASRN>
NOCAS_871054

> <Analog_preferred_name>
CERAPP_57339

> <Analog - index>
4|18|18|127|36|30

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.925|0.925|0.9|0.8780487804878049|0.9

$$$$
DTXSID40871357
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    0.7145   -6.4349    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.1349    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.4849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6599    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.4849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.1349    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.9599    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.6099    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17  5  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40871357

> <Analog_DSSTox_Structure_Id>
DTXCID90819027

> <Analog_Original_SMILES>
BrC1=CC=C(C2C(Br)=C(Br)C(Br)=C(Br)C=2Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC=C(C2C(Br)=C(Br)C(Br)=C(Br)C=2Br)C(Br)=C1Br

> <Analog_CASRN>
NOCAS_871357

> <Analog_preferred_name>
CERAPP_58756

> <Analog - index>
4|9|11|42|45|47|56|4

> <OFR_ID>
23|25|29|32|33|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|115245-07-3|69278-62-2

> <similarity>
0.8617021276595744|0.9484536082474226|0.9387755102040817|0.8773584905660378|0.8543689320388349|0.8584905660377359|0.8207547169811321|0.8709677419354839

$$$$
DTXSID40872581
  Mrv1813 07271812472D          

 19 21  0  0  0  0            999 V2000
    0.2636   -0.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698    0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839   -0.7279    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    0.9867    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2636    0.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538    1.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4509    0.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4509   -0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2355   -0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312   -1.2981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7205    0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688    0.1294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2355    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6311    1.5569    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9780    0.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298    0.9593    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9780   -0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298   -0.7005    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4539   -1.5660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40872581

> <Analog_DSSTox_Structure_Id>
DTXCID00820225

> <Analog_Original_SMILES>
ClC1(Cl)[C@@]2(Cl)[C@H]3[C@H]([C@H](Cl)[C@H](Cl)[C@@H]3Cl)[C@]1(Cl)C(Cl)=C2Cl |&1:3,5,6,7,9,11,13|

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C(C(Cl)C(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
5103-73-1

> <Analog_preferred_name>
cis-Nonachlordane

> <Analog - index>
7|7

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.9243697478991597|0.923728813559322

$$$$
DTXSID40872627
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
   -3.9296   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
  6 14  1  0  0  0  0
  5 15  1  0  0  0  0
  3 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40872627

> <Analog_DSSTox_Structure_Id>
DTXCID70820277

> <Analog_Original_SMILES>
ClC(CCCC(Cl)C(Cl)CC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(CCCC(Cl)C(Cl)CC(Cl)CCl)CCl

> <Analog_CASRN>
890302-87-1

> <Analog_preferred_name>
1,2,4,5,9,10-Hexachlorodecane

> <Analog - index>
1|1|75|63

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
1.0|1.0|0.925|0.925

$$$$
DTXSID40872642
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    0.0002    0.7645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866   -0.0605    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577    0.7645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -1.2980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7147   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.0605    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    0.7645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40872642

> <Analog_DSSTox_Structure_Id>
DTXCID70820292

> <Analog_Original_SMILES>
ClC(CCCC(Cl)C(Cl)CCC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(CCCC(Cl)C(Cl)CCC(Cl)CCl)CCl

> <Analog_CASRN>
1428966-54-4

> <Analog_preferred_name>
1,2,5,6,10,11-Hexachloroundecane

> <Analog - index>
6|6|150|1

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.975|0.975|0.9|0.9487179487179487

$$$$
DTXSID40872647
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
   -1.0717    0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.6740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276    0.4529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026   -0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40872647

> <Analog_DSSTox_Structure_Id>
DTXCID10820296

> <Analog_Original_SMILES>
CCCCCCCC(Cl)CCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCC(Cl)CCC(Cl)(Cl)Cl

> <Analog_CASRN>
1644464-75-4

> <Analog_preferred_name>
1,1,1,4-Tetrachloroundecane

> <Analog - index>
75|75|159|4

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.8974358974358975|0.9473684210526315

$$$$
DTXSID40872662
  Mrv1813 07271812472D          

 33 32  0  0  0  0            999 V2000
  -10.7171   -0.7625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2882    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1448   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4303    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2869   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5736   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5901   -1.0645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.4151    0.3644    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40872662

> <Analog_DSSTox_Structure_Id>
DTXCID50820311

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_CASRN>
76178-56-8

> <Analog_preferred_name>
1,1,1-Trichlorotriacontane

> <Analog - index>
208|208|173|172

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID40874060
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    0.2447   -0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7614    1.3544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2846    2.5118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6731    1.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9425    0.1044    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6731   -0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3876    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3876    1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    1.7080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2037    0.0809    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8493   -0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4512   -1.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4348   -1.6909    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413    1.9897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40874060

> <Analog_DSSTox_Structure_Id>
DTXCID901012194

> <Analog_Original_SMILES>
CC1(C2C(Cl)C(Cl)C1(C(Cl)C2Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
CC1(C2C(Cl)C(Cl)C1(C(Cl)C2Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
12|12|197|196

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID40875719
  Mrv1813 07271812472D          

  8 10  0  0  0  0            999 V2000
    1.4614    0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0983    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727    0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    1.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041    1.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    2.2910    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  1  8  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID40875719

> <Analog_DSSTox_Structure_Id>
DTXCID701013839

> <Analog_Original_SMILES>
BrC1C2C3CC1CC32

> <Analog_Canonical_QSARr>
BrC1C2C3CC1CC32

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
205|213|213|215|215|210

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID50152366
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50152366

> <Analog_DSSTox_Structure_Id>
DTXCID4074857

> <Analog_Original_SMILES>
BrC1=CC(C2C(Br)=C(Br)C=C(Br)C=2Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(C2C(Br)=C(Br)C=C(Br)C=2Br)=C(Br)C=C1

> <Analog_CASRN>
119264-53-8

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,5,5',6-hexabromo-

> <Analog - index>
47|50|33|51|6|31|34

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.819047619047619|0.8113207547169812|0.8962264150943396|0.8380952380952381|0.9090909090909091|0.8952380952380953|0.875

$$$$
DTXSID50165916
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    2.7268    1.8772    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489   -0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646   -0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047   -0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50165916

> <Analog_DSSTox_Structure_Id>
DTXCID1088407

> <Analog_Original_SMILES>
BrC1CCCCCCC1

> <Analog_Canonical_QSARr>
BrC1CCCCCCC1

> <Analog_CASRN>
1556-09-8

> <Analog_preferred_name>
Bromocyclooctane

> <Analog - index>
144|165|165|148|55|49

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID50167692
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    4.3037   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  2 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50167692

> <Analog_DSSTox_Structure_Id>
DTXCID9090183

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1)C1=CC(Br)=CC=C1

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1)C1=CC(Br)=CC=C1

> <Analog_CASRN>
16400-51-4

> <Analog_preferred_name>
1,1'-Biphenyl, 3,3'-dibromo-

> <Analog - index>
21|4|6|24

> <OFR_ID>
34|38|39|46

> <OFR_DTXSID>
-|DTXSID0075108|DTXSID4074770|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
-|16400-50-3|77102-82-0|92-66-0

> <similarity>
0.8222222222222222|0.8072289156626506|0.8522727272727273|0.8235294117647058

$$$$
DTXSID50174341
  Mrv1813 07271812442D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50174341

> <Analog_DSSTox_Structure_Id>
DTXCID7096832

> <Analog_Original_SMILES>
CCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCC(Cl)Cl

> <Analog_CASRN>
20395-24-8

> <Analog_preferred_name>
1,1-Dichlorooctane

> <Analog - index>
209|209|174|173

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID50184485
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
    5.9369   -2.6965    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2215    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.2535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -0.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50184485

> <Analog_DSSTox_Structure_Id>
DTXCID60106976

> <Analog_Original_SMILES>
OP(=O)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
OP(=O)(OCCCl)OCCCl

> <Analog_CASRN>
3040-56-0

> <Analog_preferred_name>
Bis(2-chloroethyl) phosphate

> <Analog - index>
12|15|15

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8888888888888888|0.8135593220338984|0.8275862068965517

$$$$
DTXSID50204839
  Mrv1813 07271812452D          

 12 11  0  0  0  0            999 V2000
    2.4122   -2.8046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1267   -2.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267   -1.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412   -1.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412   -0.3296    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412    0.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556    0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556    1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662   -0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0787    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9037    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162   -0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50204839

> <Analog_DSSTox_Structure_Id>
DTXCID30127330

> <Analog_Original_SMILES>
CCOP(=O)(OCCCl)OCC

> <Analog_Canonical_QSARr>
CCOP(=O)(OCCCl)OCC

> <Analog_CASRN>
5630-71-7

> <Analog_preferred_name>
Phosphoric acid, 2-chloroethyl diethyl ester

> <Analog - index>
5|1|6|6

> <OFR_ID>
106|108|139|141

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
140-08-9|115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8541666666666666|0.9791666666666666|0.8867924528301887|0.9038461538461539

$$$$
DTXSID50208094
  Mrv1813 07271812452D          

  9 13  0  0  0  0            999 V2000
    2.0024    1.2906    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0726    0.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -0.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8649    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50208094

> <Analog_DSSTox_Structure_Id>
DTXCID70130585

> <Analog_Original_SMILES>
BrC12C3C4C1C1C2C3C14

> <Analog_Canonical_QSARr>
BrC12C3C4C1C1C2C3C14

> <Analog_CASRN>
59346-69-9

> <Analog_preferred_name>
Bromocubane

> <Analog - index>
145|166|166|149|56|50

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID50211826
  Mrv1813 07271812452D          

 16 18  0  0  0  0            999 V2000
    0.9839    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6983    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6983   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9839   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3812   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0957   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3812    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0957    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50211826

> <Analog_DSSTox_Structure_Id>
DTXCID80134317

> <Analog_Original_SMILES>
BrC1C=C2C(=CC=1Br)C1=CC(Br)=C(Br)C=C21

> <Analog_Canonical_QSARr>
BrC1C=C2C(=CC=1Br)C1=CC(Br)=C(Br)C=C21

> <Analog_CASRN>
62754-84-1

> <Analog_preferred_name>
Biphenylene, 2,3,6,7-tetrabromo-

> <Analog - index>
25

> <OFR_ID>
39

> <OFR_DTXSID>
DTXSID4074770

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
77102-82-0

> <similarity>
0.8

$$$$
DTXSID50216457
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    4.5078    0.5404    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50216457

> <Analog_DSSTox_Structure_Id>
DTXCID50138948

> <Analog_Original_SMILES>
OC1=CC(O)=C(Br)C=C1

> <Analog_Canonical_QSARr>
OC1=CC(O)=C(Br)C=C1

> <Analog_CASRN>
6626-15-9

> <Analog_preferred_name>
4-Bromoresorcinol

> <Analog - index>
2

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8870967741935484

$$$$
DTXSID50219988
  Mrv1813 07271812452D          

 10 11  0  0  0  0            999 V2000
    2.4876   -1.7796    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4876   -0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7731   -0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7731    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    0.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020   -0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4876    1.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3501    0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3501   -0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50219988

> <Analog_DSSTox_Structure_Id>
DTXCID00142479

> <Analog_Original_SMILES>
CC12CCC(Br)(CC1)CC2

> <Analog_Canonical_QSARr>
CC12CCC(Br)(CC1)CC2

> <Analog_CASRN>
697-40-5

> <Analog_preferred_name>
1-Bromo-4-methylbicyclo(2.2.2)octane

> <Analog - index>
206|214|214|216|216|211

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID50231069
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.3490   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50231069

> <Analog_DSSTox_Structure_Id>
DTXCID00153560

> <Analog_Original_SMILES>
BrC1C=C(C2C=CC(Br)=CC=2Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C=CC(Br)=CC=2Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
81381-52-4

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4,4',5-hexabromo-

> <Analog - index>
15|4|7|26|17|15|41|21|21|33|17

> <OFR_ID>
23|25|29|32|33|34|37|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.826530612244898|0.9693877551020408|0.9595959595959596|0.9150943396226415|0.8932038834951457|0.8367346938775511|0.819047619047619|0.8080808080808081|0.9142857142857143|0.8761904761904762|0.8163265306122449

$$$$
DTXSID50233265
  Mrv1813 07271812452D          

 19 20  0  0  0  0            999 V2000
    4.5078   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  4 12  2  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50233265

> <Analog_DSSTox_Structure_Id>
DTXCID50155756

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C(C2=CC(Br)=C(Br)C=C2Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C(C2=CC(Br)=C(Br)C=C2Br)=C1Br

> <Analog_CASRN>
84303-49-1

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4',5,5',6-heptabromo-

> <Analog - index>
21|32|34|20|33|23|25|36|20

> <OFR_ID>
23|25|29|32|33|37|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3|69278-62-2

> <similarity>
0.8|0.883495145631068|0.875|0.9245283018867925|0.8666666666666667|0.8640776699029126|0.9056603773584906|0.8679245283018868|0.8080808080808081

$$$$
DTXSID5024134
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    2.1593   -1.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -0.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -0.0331    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7303   -1.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159   -0.8581    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7303   -2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159   -2.5081    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -2.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -3.3331    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1593   -2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -2.5081    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -0.8581    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5024134

> <Analog_DSSTox_Structure_Id>
DTXCID60196534

> <Analog_Original_SMILES>
Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl |&1:1,2,4,6,8,10|

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>
319-86-8

> <Analog_preferred_name>
delta-Hexachlorocyclohexane

> <Analog - index>
228|228

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID50242675
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.3292    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50242675

> <Analog_DSSTox_Structure_Id>
DTXCID80165166

> <Analog_Original_SMILES>
BrC1C=C(Br)C=CC=1C1C(Br)=CC=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=CC=1C1C(Br)=CC=CC=1Br

> <Analog_CASRN>
97038-95-4

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',4,6'-tetrabromo-

> <Analog - index>
55|29|27|51|48|32

> <OFR_ID>
32|33|37|40|43|46

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-|115245-07-3|92-66-0

> <similarity>
0.8207547169811321|0.8686868686868687|0.8469387755102041|0.8365384615384616|0.8333333333333334|0.8089887640449438

$$$$
DTXSID5024346
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    1.5922   -3.2076    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5922   -2.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922   -0.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    0.0924    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8777   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633   -0.7326    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8777   -1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  2  9  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5024346

> <Analog_DSSTox_Structure_Id>
DTXCID604346

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
615-54-3

> <Analog_preferred_name>
1,2,4-Tribromobenzene

> <Analog - index>
3

> <OFR_ID>
116

> <OFR_DTXSID>
DTXSID90209646

> <OFR_PREFERRED_NAME>
1,2,3,4,5-pentabromobenzene

> <OFR_CASRN>
608-90-2

> <similarity>
0.8571428571428571

$$$$
DTXSID5024348
  Mrv1813 07271812442D          

 16 17  0  0  0  0            999 V2000
    3.1247    0.2585    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -0.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958    0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958    1.0835    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9813   -0.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9813   -0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958   -1.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958   -2.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -2.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -3.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -3.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8392   -3.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8392   -2.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -2.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -1.3915    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16  7  1  0  0  0  0
  2 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5024348

> <Analog_DSSTox_Structure_Id>
DTXCID404348

> <Analog_Original_SMILES>
BrC1C=CC=CC=1OC1C=C(Br)C(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC=CC=1OC1C=C(Br)C(Br)=CC=1

> <Analog_CASRN>
49690-94-0

> <Analog_preferred_name>
Tribromodiphenyl ether

> <Analog - index>
18|21|19|19|18|12|17|18

> <OFR_ID>
26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8888888888888888|0.86|0.86|0.8787878787878788|0.8061224489795918|0.9191919191919192|0.8163265306122449|0.8247422680412371

$$$$
DTXSID5024639
  Mrv1813 07271812442D          

 13 14  0  0  0  0            999 V2000
    0.9040   -3.2262    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6184   -2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3329   -3.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474   -2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474   -1.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3329   -1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3329   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3329    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184   -1.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  7 12  1  0  0  0  0
 13  6  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5024639

> <Analog_DSSTox_Structure_Id>
DTXCID104639

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1)C1C=CC=CC=1

> <Analog_CASRN>
2113-57-7

> <Analog_preferred_name>
3-Bromobiphenyl

> <Analog - index>
23|7|68|20

> <OFR_ID>
34|39|43|46

> <OFR_DTXSID>
-|DTXSID4074770|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
-|77102-82-0|115245-07-3|92-66-0

> <similarity>
0.8111111111111111|0.8409090909090909|0.8|0.8333333333333334

$$$$
DTXSID5027352
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
    0.7101    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1391    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2825   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7114   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4259    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1404   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0043   -0.3756    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5027352

> <Analog_DSSTox_Structure_Id>
DTXCID607352

> <Analog_Original_SMILES>
CCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCl

> <Analog_CASRN>
1002-69-3

> <Analog_preferred_name>
1-Chlorodecane

> <Analog - index>
115|115|49|36

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID50275988
  Mrv1813 07271812452D          

  9  8  0  0  0  0            999 V2000
    1.6500   -0.0229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50275988

> <Analog_DSSTox_Structure_Id>
DTXCID30227349

> <Analog_Original_SMILES>
CCCCC(C)CCCl

> <Analog_Canonical_QSARr>
CCCCC(C)CCCl

> <Analog_CASRN>
128399-57-5

> <Analog_preferred_name>
1-chloro-3-methylheptane

> <Analog - index>
230|226

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID50300128
  Mrv1813 07271812452D          

 10 11  0  0  0  0            999 V2000
    1.7628   -1.7414    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7628   -0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    1.5586    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253   -0.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50300128

> <Analog_DSSTox_Structure_Id>
DTXCID10251263

> <Analog_Original_SMILES>
BrC12CCC(Br)(CC1)CC2

> <Analog_Canonical_QSARr>
BrC12CCC(Br)(CC1)CC2

> <Analog_CASRN>
10364-04-2

> <Analog_preferred_name>
1,4-Dibromobicyclo[2.2.2]octane

> <Analog - index>
235|198|198|240|198|193

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.825|0.825|0.8|0.825|0.8461538461538461

$$$$
DTXSID50301514
  Mrv1813 07271812452D          

 10 11  0  0  0  0            999 V2000
    1.5963   -1.8191    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5963   -0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.1691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5963    0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5963    1.4809    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8818    0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818   -0.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3108    0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3108   -0.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50301514

> <Analog_DSSTox_Structure_Id>
DTXCID00252648

> <Analog_Original_SMILES>
ClC1C2(Cl)CCC1(Cl)CC2

> <Analog_Canonical_QSARr>
ClC1C2(Cl)CCC1(Cl)CC2

> <Analog_CASRN>
18214-91-0

> <Analog_preferred_name>
1,4,7-trichlorobicyclo[2.2.1]heptane

> <Analog - index>
116|116|243|239

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8461538461538461|0.8461538461538461

$$$$
DTXSID50323751
  Mrv1813 07271812452D          

 27 26  0  0  0  0            999 V2000
    1.6482    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2205   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3639    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0784   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5073   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2218    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9363   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6508    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3652   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7942   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5086    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2231   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6521   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3665    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0810   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7955    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5099   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2244    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50323751

> <Analog_DSSTox_Structure_Id>
DTXCID80274868

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
4276-51-1

> <Analog_preferred_name>
1-Bromohexacosane

> <Analog - index>
66|88|88|71|120|118

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50328362
  Mrv1813 07271812452D          

 47 52  0  0  0  0            999 V2000
    6.7963   -1.3562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8171   -0.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3886   -0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3678   -1.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432   -1.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604   -2.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8977   -2.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1938   -2.5031    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4939   -3.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819   -2.7196    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1459   -3.1981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3053   -3.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0091   -4.2248    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5807   -4.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5598   -5.0134    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8768   -3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1522   -4.1526    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3262   -2.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6848   -0.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0239    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4303    1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4511    1.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7337    2.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639    3.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749    2.7111    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6220    4.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    3.1840    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5237    4.3955    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2550    4.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4867    5.5296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4321    4.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    5.5359    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9699    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    4.1282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6158    3.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056    0.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8588    1.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8796    1.9427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0441    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2649    0.5590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2522    0.0568    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5626    0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2873    1.0819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5418   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2456   -0.5676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17  8  1  0  0  0  0
 17 18  1  0  0  0  0
 19 13  1  0  0  0  0
  7 19  1  0  0  0  0
  4 20  2  0  0  0  0
 21  3  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 35 26  1  0  0  0  0
 35 36  1  0  0  0  0
 37 31  1  0  0  0  0
 25 37  1  0  0  0  0
 22 38  2  0  0  0  0
 39 21  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41  2  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 44 39  1  0  0  0  0
 44 45  1  0  0  0  0
 46 44  2  0  0  0  0
  2 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50328362

> <Analog_DSSTox_Structure_Id>
DTXCID30279469

> <Analog_Original_SMILES>
O=C(OCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)C1C(C(=O)OCC2CC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_Canonical_QSARr>
O=C(OCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)C1C(C(=O)OCC2CC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_CASRN>
25914-89-0

> <Analog_preferred_name>
Bis[(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl] 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

> <Analog - index>
3|1|2

> <OFR_ID>
11|70|142

> <OFR_DTXSID>
DTXSID3040306|DTXSID1051802|DTXSID2026941

> <OFR_PREFERRED_NAME>
?|?|HEXACHLORO ENDOMETHYLENE TETRAHYDROPHTHALIC ANHYDRIDE

> <OFR_CASRN>
1773-89-3|1770-80-5|115-27-5

> <similarity>
0.801762114537445|0.9310344827586207|0.8552631578947368

$$$$
DTXSID50335394
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    5.1574    1.2563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1574    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8719    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5864    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3008    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0153    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50335394

> <Analog_DSSTox_Structure_Id>
DTXCID00286483

> <Analog_Original_SMILES>
CCCCCC(Cl)CCCC

> <Analog_Canonical_QSARr>
CCCCCC(Cl)CCCC

> <Analog_CASRN>
1001-31-6

> <Analog_preferred_name>
5-Chlorodecane

> <Analog - index>
179|179|124|112

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID50337530
  Mrv1813 07271812452D          

  8  8  0  0  0  0            999 V2000
    4.6258   -1.5671    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9113   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50337530

> <Analog_DSSTox_Structure_Id>
DTXCID90288618

> <Analog_Original_SMILES>
CCCCC1CC1Br

> <Analog_Canonical_QSARr>
CCCCC1CC1Br

> <Analog_CASRN>
91509-09-0

> <Analog_preferred_name>
Cyclopropane, 1-bromo-2-butyl-

> <Analog - index>
207|215|215|217|217|212

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID50337979
  Mrv1813 07271812452D          

 22 21  0  0  0  0            999 V2000
    1.6486   -0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3631    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0776   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7921    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9355   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6499    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3644   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0789    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7934   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5078    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2223   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6512   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3657    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0802   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7946    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5091   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2236    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9381   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6525    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50337979

> <Analog_DSSTox_Structure_Id>
DTXCID10289066

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
14296-16-3

> <Analog_preferred_name>
1,20-Dibromoicosane

> <Analog - index>
67|89|89|72|121|119

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50338421
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    0.3910    0.7133    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1055    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   -0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825    0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50338421

> <Analog_DSSTox_Structure_Id>
DTXCID10289506

> <Analog_Original_SMILES>
ClC1CC2CCC1CC2

> <Analog_Canonical_QSARr>
ClC1CC2CCC1CC2

> <Analog_CASRN>
33649-79-5

> <Analog_preferred_name>
2-Chlorobicyclo[2.2.2]octane

> <Analog - index>
180|180|125|113

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID50341657
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    3.7712    0.2881    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1879   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1879   -1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180    1.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50341657

> <Analog_DSSTox_Structure_Id>
DTXCID70292738

> <Analog_Original_SMILES>
COC(=O)C1(Br)CCC1

> <Analog_Canonical_QSARr>
COC(=O)C1(Br)CCC1

> <Analog_CASRN>
51175-79-2

> <Analog_preferred_name>
Methyl 1-bromocyclobutanecarboxylate

> <Analog - index>
10

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8428571428571429

$$$$
DTXSID50362862
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    2.1164   -1.8141    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8308   -1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308   -0.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803   -0.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5664   -0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    0.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803    0.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    0.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
 12 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  7  9  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50362862

> <Analog_DSSTox_Structure_Id>
DTXCID10313911

> <Analog_Original_SMILES>
BrCC12CC3CC(C1)CC(C2)C3

> <Analog_Canonical_QSARr>
BrCC12CC3CC(C1)CC(C2)C3

> <Analog_CASRN>
14651-42-4

> <Analog_preferred_name>
1-(bromomethyl)adamantane

> <Analog - index>
146|167|167|150|190|188

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID50369179
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    4.5078    0.2846    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.3654    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50369179

> <Analog_DSSTox_Structure_Id>
DTXCID00320215

> <Analog_Original_SMILES>
OC1C=C(F)C=CC=1Br

> <Analog_Canonical_QSARr>
OC1C=C(F)C=CC=1Br

> <Analog_CASRN>
147460-41-1

> <Analog_preferred_name>
2-Bromo-5-fluorophenol

> <Analog - index>
14

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8153846153846154

$$$$
DTXSID50378802
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.6375    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9231    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7797    0.6188    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9231   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50378802

> <Analog_DSSTox_Structure_Id>
DTXCID00329829

> <Analog_Original_SMILES>
COC1=C(F)C=C(Br)C=C1Br

> <Analog_Canonical_QSARr>
COC1=C(F)C=C(Br)C=C1Br

> <Analog_CASRN>
202982-75-0

> <Analog_preferred_name>
2,4-Dibromo-6-fluoroanisole

> <Analog - index>
3

> <OFR_ID>
125

> <OFR_DTXSID>
DTXSID1060558

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
607-99-8

> <similarity>
0.821917808219178

$$$$
DTXSID50394481
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    4.5079    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50394481

> <Analog_DSSTox_Structure_Id>
DTXCID40345341

> <Analog_Original_SMILES>
CC1C(Br)=C(Br)C(C)=C(Cl)C=1Cl

> <Analog_Canonical_QSARr>
CC1C(Br)=C(Br)C(C)=C(Cl)C=1Cl

> <Analog_CASRN>
89244-57-5

> <Analog_preferred_name>
Benzene, 1,2-dibromo-4,5-dichloro-3,6-dimethyl-

> <Analog - index>
1

> <OFR_ID>
123

> <OFR_DTXSID>
DTXSID50192686

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4-tetrabromo-5-chloro-6-methyl-

> <OFR_CASRN>
39569-21-6

> <similarity>
0.8032786885245902

$$$$
DTXSID50411809
  Mrv1813 07271812462D          

  8  9  0  0  0  0            999 V2000
    4.0347   -1.5395    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3202   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347    1.5395    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4952    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4952   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  4  7  1  0  0  0  0
  8  3  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50411809

> <Analog_DSSTox_Structure_Id>
DTXCID10362661

> <Analog_Original_SMILES>
BrC1CC1C1CC1Br

> <Analog_Canonical_QSARr>
BrC1CC1C1CC1Br

> <Analog_CASRN>
62014-98-6

> <Analog_preferred_name>
1,1'-Bicyclopropyl, 2,2'-dibromo-

> <Analog - index>
1

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9393939393939394

$$$$
DTXSID50432812
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.2227   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50432812

> <Analog_DSSTox_Structure_Id>
DTXCID20383640

> <Analog_Original_SMILES>
CCCCCC(Cl)CCCCC

> <Analog_Canonical_QSARr>
CCCCCC(Cl)CCCCC

> <Analog_CASRN>
20351-26-2

> <Analog_preferred_name>
6-chloroundecane

> <Analog - index>
181|181|126|114

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID50438036
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    1.6500    1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50438036

> <Analog_DSSTox_Structure_Id>
DTXCID40388859

> <Analog_Original_SMILES>
BrC(Br)C(Br)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC(Br)C(Br)C1C=CC=CC=1

> <Analog_CASRN>
33236-96-3

> <Analog_preferred_name>
styrene tribromide

> <Analog - index>
0

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
1.0

$$$$
DTXSID50446590
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.5078   -0.4313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -2.0813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50446590

> <Analog_DSSTox_Structure_Id>
DTXCID90397411

> <Analog_Original_SMILES>
ClC1C=C(C=CC=1)C(Br)CBr

> <Analog_Canonical_QSARr>
ClC1C=C(C=CC=1)C(Br)CBr

> <Analog_CASRN>
187409-10-5

> <Analog_preferred_name>
Benzene, 1-chloro-3-(1,2-dibromoethyl)-

> <Analog - index>
11

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8058252427184466

$$$$
DTXSID50448655
  Mrv1813 07271812462D          

 20 21  0  0  0  0            999 V2000
    5.2672   -0.3741    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5528   -0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    0.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238    1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    2.1009    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6949    1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804    2.1009    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6949    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094   -0.3741    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1238   -0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033   -0.8728    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1238   -1.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -2.8491    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5528   -1.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2672   -2.0241    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50448655

> <Analog_DSSTox_Structure_Id>
DTXCID50399476

> <Analog_Original_SMILES>
BrC1C=C(Br)C(OC2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(OC2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=1

> <Analog_CASRN>
117948-63-7

> <Analog_preferred_name>
Benzene, 1,2,3,5-tetrabromo-4-(2,4,6-tribromophenoxy)-

> <Analog - index>
25|25|26|17|31

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8494623655913979|0.8387096774193549|0.8191489361702128|0.8791208791208791|0.8421052631578947

$$$$
DTXSID50466637
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    2.1696   -2.3063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -1.0688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8841   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    1.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    2.2312    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50466637

> <Analog_DSSTox_Structure_Id>
DTXCID40417456

> <Analog_Original_SMILES>
FC1C=CC(C=C(Br)Br)=CC=1

> <Analog_Canonical_QSARr>
FC1C=CC(C=C(Br)Br)=CC=1

> <Analog_CASRN>
159957-00-3

> <Analog_preferred_name>
1-(2,2-dibromovinyl)-4-fluorobenzene

> <Analog - index>
6

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8356164383561644

$$$$
DTXSID50477788
  Mrv1813 07271812462D          

  3  2  0  0  0  0            999 V2000
    1.6499    0.1375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50477788

> <Analog_DSSTox_Structure_Id>
DTXCID50428598

> <Analog_Original_SMILES>
[2H]C([2H])(C)Br

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
3652-84-4

> <Analog_preferred_name>
Bromoethane-1,1-d2

> <Analog - index>
11|12

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID50489104
  Mrv1813 07271812462D          

 10 11  0  0  0  0            999 V2000
    1.3903   -0.5106    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9205    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    0.7534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    0.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843    0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843   -0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -0.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50489104

> <Analog_DSSTox_Structure_Id>
DTXCID20439914

> <Analog_Original_SMILES>
ClC1(Cl)C2CCCCCC12

> <Analog_Canonical_QSARr>
ClC1(Cl)C2CCCCCC12

> <Analog_CASRN>
6498-42-6

> <Analog_preferred_name>
8,8-Dichlorobicyclo[5.1.0]octane

> <Analog - index>
244|244|212|213

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579|0.868421052631579

$$$$
DTXSID50496590
  Mrv1813 07271812462D          

 13 16  0  0  0  0            999 V2000
    2.4656   -0.5479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710    0.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8979    0.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3302   -0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982   -1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4735   -1.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4249    0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0568   -0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2001    0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    1.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    1.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12  5  1  0  0  0  0
  4 12  1  0  0  0  0
 13  4  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50496590

> <Analog_DSSTox_Structure_Id>
DTXCID90447400

> <Analog_Original_SMILES>
ClC1(Cl)CC21CC2(C1CC1)C1CC1

> <Analog_Canonical_QSARr>
ClC1(Cl)CC21CC2(C1CC1)C1CC1

> <Analog_CASRN>
67003-09-2

> <Analog_preferred_name>
1,1-Dichloro-4,4-dicyclopropylspiro[2.2]pentane

> <Analog - index>
245|245|213|214

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579|0.868421052631579

$$$$
DTXSID50496999
  Mrv1813 07271812462D          

 15 14  0  0  0  0            999 V2000
    1.6496    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0799   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7943    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5088   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2233    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6522    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50496999

> <Analog_DSSTox_Structure_Id>
DTXCID90447809

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCBr

> <Analog_CASRN>
31772-05-1

> <Analog_preferred_name>
1,13-Dibromotridecane

> <Analog - index>
68|90|90|73|122|120

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50499026
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.3572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50499026

> <Analog_DSSTox_Structure_Id>
DTXCID20449836

> <Analog_Original_SMILES>
CCCCCCC(Br)CC(Br)(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCC(Br)CC(Br)(Br)Br

> <Analog_CASRN>
1070-25-3

> <Analog_preferred_name>
1,1,1,3-Tetrabromononane

> <Analog - index>
5|144|144|9|180|178

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.8780487804878049|0.8780487804878049|0.9487179487179487|0.8333333333333334|0.8536585365853658

$$$$
DTXSID50499283
  Mrv1813 07271812462D          

 27 26  0  0  0  0            999 V2000
    1.6482    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2205   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3639    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0784   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5073   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2218    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9363   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6508    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3652   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7942   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5086    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2231   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6521   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3665    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0810   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7955    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5099   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2244    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50499283

> <Analog_DSSTox_Structure_Id>
DTXCID70450093

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
56134-53-3

> <Analog_preferred_name>
1-Chlorohexacosane

> <Analog - index>
117|117|50|37

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID50500520
  Mrv1813 07271812432D          

 14 13  0  0  0  0            999 V2000
    7.3658    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  2  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1   5   1
M  END
> <Analog_dsstox_substance_id>
DTXSID50500520

> <Analog_DSSTox_Structure_Id>
DTXCID40451330

> <Analog_Original_SMILES>
O=[P+](OC(CCl)CCl)OC(CCl)CCl

> <Analog_Canonical_QSARr>
O=[P+](OC(CCl)CCl)OC(CCl)CCl

> <Analog_CASRN>
14622-42-5

> <Analog_preferred_name>
Bis[(1,3-dichloropropan-2-yl)oxy](oxo)phosphanium

> <Analog - index>
9|0|0|0

> <OFR_ID>
108|137|139|141

> <OFR_DTXSID>
DTXSID5021411|-|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|?|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|-|13674-87-8|13674-84-5

> <similarity>
0.9056603773584906|0.8867924528301887|1.0|0.9811320754716981

$$$$
DTXSID50502387
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    6.3266    1.2563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6121    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    0.4313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50502387

> <Analog_DSSTox_Structure_Id>
DTXCID40453197

> <Analog_Original_SMILES>
CCCCCCCC(Br)CBr

> <Analog_Canonical_QSARr>
CCCCCCCC(Br)CBr

> <Analog_CASRN>
73642-91-8

> <Analog_preferred_name>
1,2-Dibromononane

> <Analog - index>
6|19|19|128|37|31

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.925|0.925|0.9|0.8780487804878049|0.9

$$$$
DTXSID50506027
  Mrv1813 07271812462D          

 12 14  0  0  0  0            999 V2000
    5.3220   -0.5579    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165   -0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040   -1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9071    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    1.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    0.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896   -0.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255   -0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50506027

> <Analog_DSSTox_Structure_Id>
DTXCID50456836

> <Analog_Original_SMILES>
BrC12CC3CC(CC(C1)C3)CC2

> <Analog_Canonical_QSARr>
BrC12CC3CC(CC(C1)C3)CC2

> <Analog_CASRN>
14504-84-8

> <Analog_preferred_name>
3-Bromotricyclo[4.3.1.1~3,8~]undecane

> <Analog - index>
69|91|91|74|123|121

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50507594
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6497    0.0476    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    1.2851    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50507594

> <Analog_DSSTox_Structure_Id>
DTXCID60458402

> <Analog_Original_SMILES>
CCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
822-01-5

> <Analog_preferred_name>
1,1-Dichloroundecane

> <Analog - index>
153|153|95|84

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID50509179
  Mrv1813 07271812462D          

 13 14  0  0  0  0            999 V2000
    1.6864   -0.8394    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8960   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465    0.3035    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7182   -0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3658    0.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356    1.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578    1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8324    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1848   -0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7150   -0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8927   -0.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5404   -0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50509179

> <Analog_DSSTox_Structure_Id>
DTXCID30459986

> <Analog_Original_SMILES>
BrC1(Br)C2CCCCCCCCC12

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCCCCCCCC12

> <Analog_CASRN>
64480-09-7

> <Analog_preferred_name>
11,11-Dibromobicyclo[8.1.0]undecane

> <Analog - index>
70|92|92|75|124|122

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50509634
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    2.2660   -1.5335    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7963   -0.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108   -0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108    0.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3266    1.3804    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    1.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5482    2.1557    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0819    0.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819   -0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3266   -1.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1391   -1.3903    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50509634

> <Analog_DSSTox_Structure_Id>
DTXCID80460441

> <Analog_Original_SMILES>
BrC1(CCC(Br)(CC1)CBr)CBr

> <Analog_Canonical_QSARr>
BrC1(CCC(Br)(CC1)CBr)CBr

> <Analog_CASRN>
62947-52-8

> <Analog_preferred_name>
1,4-Dibromo-1,4-bis(bromomethyl)cyclohexane

> <Analog - index>
245|93|93|16|25|19

> <OFR_ID>
2|4|19|113|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID4052687|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|?|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1837-91-8|3322-93-8|3194-57-8

> <similarity>
0.8048780487804879|0.9|0.9|0.8648648648648649|0.9|0.9230769230769231

$$$$
DTXSID50511075
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    4.5078    0.9854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9367    0.1604    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50511075

> <Analog_DSSTox_Structure_Id>
DTXCID30461882

> <Analog_Original_SMILES>
CC(Br)C(Br)CCCC

> <Analog_Canonical_QSARr>
CC(Br)C(Br)CCCC

> <Analog_CASRN>
21266-88-6

> <Analog_preferred_name>
2,3-Dibromoheptane

> <Analog - index>
242|42

> <OFR_ID>
2|113

> <OFR_DTXSID>
DTXSID70180181|DTXSID4052687

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?

> <OFR_CASRN>
25495-98-1|1837-91-8

> <similarity>
0.8157894736842105|0.8285714285714286

$$$$
DTXSID50517411
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    1.6503    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0805    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50517411

> <Analog_DSSTox_Structure_Id>
DTXCID50468217

> <Analog_Original_SMILES>
CCCCCCCCCC(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCC(C)Cl

> <Analog_CASRN>
61539-83-1

> <Analog_preferred_name>
2-Chloroundecane

> <Analog - index>
118|118|51|38

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID50519450
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    4.5078    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.5221    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.9529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.7779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.9529    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50519450

> <Analog_DSSTox_Structure_Id>
DTXCID70470256

> <Analog_Original_SMILES>
OC1=C(Cl)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
OC1=C(Cl)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
36313-14-1

> <Analog_preferred_name>
2,3,4,5-Tetrabromo-6-chlorophenol

> <Analog - index>
2

> <OFR_ID>
117

> <OFR_DTXSID>
DTXSID9022079

> <OFR_PREFERRED_NAME>
PENTABROMOPHENOL

> <OFR_CASRN>
608-71-9

> <similarity>
0.803921568627451

$$$$
DTXSID50524847
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.6501    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50524847

> <Analog_DSSTox_Structure_Id>
DTXCID40475652

> <Analog_Original_SMILES>
CC(C)CCCC(C)CCl

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCl

> <Analog_CASRN>
62597-29-9

> <Analog_preferred_name>
1-Chloro-2,6-dimethylheptane

> <Analog - index>
231|227

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID50526088
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    1.3821    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8111    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6689    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3834    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0979    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5268    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2413    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9558    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2413   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3834   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 15  1  0  0  0  0
  4 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50526088

> <Analog_DSSTox_Structure_Id>
DTXCID10476893

> <Analog_Original_SMILES>
CC(C)CCCC(C)CCCC(C)CCBr

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCCC(C)CCBr

> <Analog_CASRN>
17081-92-4

> <Analog_preferred_name>
1-Bromo-3,7,11-trimethyldodecane

> <Analog - index>
71|94|94|76|125|123

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50526280
  Mrv1813 07271812462D          

 12 14  0  0  0  0            999 V2000
    3.3816    1.4731    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4229    0.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5437   -0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990   -1.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656   -0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1958   -0.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50526280

> <Analog_DSSTox_Structure_Id>
DTXCID90477085

> <Analog_Original_SMILES>
BrC12CC3CC(CCC1)C2CC3

> <Analog_Canonical_QSARr>
BrC12CC3CC(CCC1)C2CC3

> <Analog_CASRN>
57234-52-3

> <Analog_preferred_name>
1-Bromodecahydro-1,6-methanonaphthalene

> <Analog - index>
72|95|95|77|126|124

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50526806
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.5079   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50526806

> <Analog_DSSTox_Structure_Id>
DTXCID40477611

> <Analog_Original_SMILES>
CCCCC(Br)CC(Br)Br

> <Analog_Canonical_QSARr>
CCCCC(Br)CC(Br)Br

> <Analog_CASRN>
90278-16-3

> <Analog_preferred_name>
1,1,3-Tribromoheptane

> <Analog - index>
188|197|234

> <OFR_ID>
2|20|129

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|1093632-34-8|3194-57-8

> <similarity>
0.868421052631579|0.8461538461538461|0.8

$$$$
DTXSID5052707
  Mrv1813 07271812442D          

 17 19  0  0  0  0            999 V2000
    3.0339   -1.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9330   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -2.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9221   -2.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1447   -3.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271   -2.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218   -3.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -2.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174   -1.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -1.4434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4352   -1.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -2.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784   -2.0105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -2.6308    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4187   -0.6043    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9620   -3.1264    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3845   -3.9876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
  8 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5052707

> <Analog_DSSTox_Structure_Id>
DTXCID7031329

> <Analog_Original_SMILES>
O=C1OCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
O=C1OCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_CASRN>
3868-61-9

> <Analog_preferred_name>
Endosulfan lactone

> <Analog - index>
1|2|0

> <OFR_ID>
11|70|142

> <OFR_DTXSID>
DTXSID3040306|DTXSID1051802|DTXSID2026941

> <OFR_PREFERRED_NAME>
?|?|HEXACHLORO ENDOMETHYLENE TETRAHYDROPHTHALIC ANHYDRIDE

> <OFR_CASRN>
1773-89-3|1770-80-5|115-27-5

> <similarity>
0.8036529680365296|0.8547008547008547|0.9023255813953488

$$$$
DTXSID5052709
  Mrv1813 07271812472D          

 19 21  0  0  0  0            999 V2000
   -1.2451   -0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -1.2535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412   -0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285   -1.5264    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -0.6860    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867    0.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290    1.8280    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495    0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6686    1.5620    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7232    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5811    0.1588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476    0.9457    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9710   -0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382   -0.6996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16  9  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5052709

> <Analog_DSSTox_Structure_Id>
DTXCID30809624

> <Analog_Original_SMILES>
ClC1(Cl)[C@@]2(Cl)[C@H]3[C@H]([C@H](Cl)[C@@H](Cl)[C@@H]3Cl)[C@]1(Cl)C(Cl)=C2Cl |&1:3,5,6,7,9,11,13|

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C(C(Cl)C(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
39765-80-5

> <Analog_preferred_name>
trans-Nonachlor

> <Analog - index>
8|8

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.9243697478991597|0.923728813559322

$$$$
DTXSID50528820
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    3.7934   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50528820

> <Analog_DSSTox_Structure_Id>
DTXCID90479625

> <Analog_Original_SMILES>
CCCCCC(Cl)CC(C)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCC(Cl)CC(C)(Cl)Cl

> <Analog_CASRN>
90279-03-1

> <Analog_preferred_name>
2,2,4-Trichlorononane

> <Analog - index>
76|76|17|152

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID50531516
  Mrv1813 07271812462D          

  9 10  0  0  0  0            999 V2000
    0.5432    0.2541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826    0.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277    1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5320    0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899    0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5320   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277   -0.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50531516

> <Analog_DSSTox_Structure_Id>
DTXCID80482305

> <Analog_Original_SMILES>
BrC1C2CCCCCC21

> <Analog_Canonical_QSARr>
BrC1C2CCCCCC21

> <Analog_CASRN>
62653-31-0

> <Analog_preferred_name>
8-Bromobicyclo[5.1.0]octane

> <Analog - index>
147|168|168|151|57|51

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID50539294
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.8326   -1.9688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1181   -1.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4036   -1.9688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1181   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4036   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4036    0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  5 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50539294

> <Analog_DSSTox_Structure_Id>
DTXCID80490081

> <Analog_Original_SMILES>
CC1=CC(C=C(Br)Br)=CC=C1

> <Analog_Canonical_QSARr>
CC1=CC(C=C(Br)Br)=CC=C1

> <Analog_CASRN>
97065-56-0

> <Analog_preferred_name>
1-(2,2-Dibromoethenyl)-3-methylbenzene

> <Analog - index>
3

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8552631578947368

$$$$
DTXSID50543290
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    4.5872   -1.6958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50543290

> <Analog_DSSTox_Structure_Id>
DTXCID90494075

> <Analog_Original_SMILES>
CCCCC(C)(C)CBr

> <Analog_Canonical_QSARr>
CCCCC(C)(C)CBr

> <Analog_CASRN>
101419-70-9

> <Analog_preferred_name>
1-Bromo-2,2-dimethylhexane

> <Analog - index>
46

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8181818181818182

$$$$
DTXSID50550287
  Mrv1813 07271812462D          

 14 15  0  0  0  0            999 V2000
    1.5158    0.5336    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0461   -0.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5764    0.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620    0.9461    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -0.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9192    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2014    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317   -1.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0461   -1.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -1.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  3  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50550287

> <Analog_DSSTox_Structure_Id>
DTXCID90501071

> <Analog_Original_SMILES>
BrC1(CCCCC1)C1(Br)CCCCC1

> <Analog_Canonical_QSARr>
BrC1(CCCCC1)C1(Br)CCCCC1

> <Analog_CASRN>
112928-28-6

> <Analog_preferred_name>
1,1'-Dibromo-1,1'-bi(cyclohexane)

> <Analog - index>
73|96|96|175|127|125

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.875|0.8536585365853658|0.875

$$$$
DTXSID50555015
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    6.6872    1.2821    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8771    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9868    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766    0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6365   -0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264    0.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070    0.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669   -0.5888    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50555015

> <Analog_DSSTox_Structure_Id>
DTXCID10505798

> <Analog_Original_SMILES>
CCCCCCC(CBr)CBr

> <Analog_Canonical_QSARr>
CCCCCCC(CBr)CBr

> <Analog_CASRN>
1781-53-9

> <Analog_preferred_name>
1-Bromo-2-(bromomethyl)octane

> <Analog - index>
74|184|184|78|128|126

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.8536585365853658|0.8536585365853658|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50558142
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.5079   -2.0813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50558142

> <Analog_DSSTox_Structure_Id>
DTXCID30508923

> <Analog_Original_SMILES>
CC1CCCC(C1)C(C)CBr

> <Analog_Canonical_QSARr>
CC1CCCC(C1)C(C)CBr

> <Analog_CASRN>
89471-54-5

> <Analog_preferred_name>
1-(1-Bromopropan-2-yl)-3-methylcyclohexane

> <Analog - index>
148|169|169|152|58|52

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID50559119
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    3.0932    1.2045    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0932    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0932   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5221   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5221    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50559119

> <Analog_DSSTox_Structure_Id>
DTXCID30509899

> <Analog_Original_SMILES>
BrC12CCCCC1CCCC2

> <Analog_Canonical_QSARr>
BrC12CCCCC1CCCC2

> <Analog_CASRN>
7731-69-3

> <Analog_preferred_name>
4a-Bromodecahydronaphthalene

> <Analog - index>
75|97|97|79|129|127

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50570107
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.6911    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    1.5221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8332    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5477   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -1.7779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9766   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6911   -0.9529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50570107

> <Analog_DSSTox_Structure_Id>
DTXCID00520879

> <Analog_Original_SMILES>
NC1=C(Br)C=C(Br)C(N)=C1Br

> <Analog_Canonical_QSARr>
NC1=C(Br)C=C(Br)C(N)=C1Br

> <Analog_CASRN>
62477-06-9

> <Analog_preferred_name>
2,4,6-Tribromobenzene-1,3-diamine

> <Analog - index>
0

> <OFR_ID>
111

> <OFR_DTXSID>
DTXSID5051733

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
147-82-0

> <similarity>
0.8703703703703703

$$$$
DTXSID50571619
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    1.9674    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6818    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8252    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5397    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50571619

> <Analog_DSSTox_Structure_Id>
DTXCID80522391

> <Analog_Original_SMILES>
CCCC(C)CC(C)Br

> <Analog_Canonical_QSARr>
CCCC(C)CC(C)Br

> <Analog_CASRN>
61764-96-3

> <Analog_preferred_name>
2-Bromo-4-methylheptane

> <Analog - index>
54

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID50573491
  Mrv1813 07271812462D          

 18 19  0  0  0  0            999 V2000
    6.0163   -1.7875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3018   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3018   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    3.1625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295    2.3375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584   -1.7875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -2.6125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
  6 13  1  0  0  0  0
 14  4  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50573491

> <Analog_DSSTox_Structure_Id>
DTXCID70524263

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1Br)OC1=CC(Br)=C(Br)C(Br)=C1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1Br)OC1=CC(Br)=C(Br)C(Br)=C1

> <Analog_CASRN>
366791-32-4

> <Analog_preferred_name>
1,2,3-Tribromo-5-(3,4-dibromophenoxy)benzene

> <Analog - index>
23|27|24|32|23

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8526315789473684|0.8229166666666666|0.8229166666666666|0.8229166666666666|0.8645833333333334

$$$$
DTXSID50574842
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.3568   -0.7701    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5815   -1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248   -1.8647    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8010    0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    1.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    1.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4702    1.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 11  4  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50574842

> <Analog_DSSTox_Structure_Id>
DTXCID70525614

> <Analog_Original_SMILES>
CC(C)(C)CC1(C)CC1(Br)Br

> <Analog_Canonical_QSARr>
CC(C)(C)CC1(C)CC1(Br)Br

> <Analog_CASRN>
94242-42-9

> <Analog_preferred_name>
1,1-Dibromo-2-(2,2-dimethylpropyl)-2-methylcyclopropane

> <Analog - index>
47

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8181818181818182

$$$$
DTXSID50577712
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    5.8416   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1272   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5548    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
  2 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50577712

> <Analog_DSSTox_Structure_Id>
DTXCID70528483

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)OC1=CC=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)OC1=CC=CC=C1Br

> <Analog_CASRN>
147217-71-8

> <Analog_preferred_name>
1-Bromo-2-(4-bromophenoxy)benzene

> <Analog - index>
2|43|2|1

> <OFR_ID>
35|36|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.9080459770114943|0.8080808080808081|0.9195402298850575|0.9302325581395349

$$$$
DTXSID50583838
  Mrv1813 07271812462D          

  7  6  0  0  0  0            999 V2000
    1.6500   -0.0295    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50583838

> <Analog_DSSTox_Structure_Id>
DTXCID50534603

> <Analog_Original_SMILES>
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br

> <Analog_Canonical_QSARr>
CCCCCCBr

> <Analog_CASRN>
130131-94-1

> <Analog_preferred_name>
1-Bromo(~2~H_13_)hexane

> <Analog - index>
32

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID50603045
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    7.2084   -0.5230    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3983   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8582   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0481   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6978    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577    0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9974    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9384    0.8802    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50603045

> <Analog_DSSTox_Structure_Id>
DTXCID80553802

> <Analog_Original_SMILES>
CCCCCCCC(CBr)CBr

> <Analog_Canonical_QSARr>
CCCCCCCC(CBr)CBr

> <Analog_CASRN>
89074-71-5

> <Analog_preferred_name>
1-Bromo-2-(bromomethyl)nonane

> <Analog - index>
7|145|145|10|181|179

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.8780487804878049|0.8780487804878049|0.9487179487179487|0.8333333333333334|0.8536585365853658

$$$$
DTXSID50616377
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    5.2223   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9367    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6512    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6512   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50616377

> <Analog_DSSTox_Structure_Id>
DTXCID90567132

> <Analog_Original_SMILES>
CC(Cl)CC(Cl)CC(Cl)CC(C)Cl

> <Analog_Canonical_QSARr>
CC(Cl)CC(Cl)CC(Cl)CC(C)Cl

> <Analog_CASRN>
127430-56-2

> <Analog_preferred_name>
2,4,6,8-Tetrachlorononane

> <Analog - index>
27|27|0|5

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|1.0|0.9473684210526315

$$$$
DTXSID50622771
  Mrv1813 07271812472D          

 23 27  0  0  0  0            999 V2000
    7.0345   -2.6849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6220   -1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220   -0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970   -0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3845    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095    1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220    2.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    2.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3845    1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845    1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220   -0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470   -0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3845   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970   -1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  6 15  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  7  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50622771

> <Analog_DSSTox_Structure_Id>
DTXCID80573525

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C=CC2C=CC3C=CC=C4C=CC=1C=2C=34

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C=CC2C=CC3C=CC=C4C=CC=1C=2C=34

> <Analog_CASRN>
345924-29-0

> <Analog_preferred_name>
1-(4-Bromophenyl)pyrene

> <Analog - index>
5|3

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8518518518518519|0.9135802469135802

$$$$
DTXSID50625580
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    0.9121   -0.3109    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6265    0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7699   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4844    0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9133    0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7383    0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3258    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50625580

> <Analog_DSSTox_Structure_Id>
DTXCID20576333

> <Analog_Original_SMILES>
BrCCCCCCC1CC1

> <Analog_Canonical_QSARr>
BrCCCCCCC1CC1

> <Analog_CASRN>
61350-88-7

> <Analog_preferred_name>
(6-Bromohexyl)cyclopropane

> <Analog - index>
76|98|98|80|130|128

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID50627281
  Mrv1813 07271812472D          

 19 20  0  0  0  0            999 V2000
    4.5078   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  6 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50627281

> <Analog_DSSTox_Structure_Id>
DTXCID20578034

> <Analog_Original_SMILES>
CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1C=CC(O)=CC=1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1C=CC(O)=CC=1

> <Analog_CASRN>
14151-65-6

> <Analog_preferred_name>
2,6-Dichloro-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

> <Analog - index>
0

> <OFR_ID>
61

> <OFR_DTXSID>
DTXSID3021770

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
79-95-8

> <similarity>
0.8536585365853658

$$$$
DTXSID50632012
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    4.8616   -0.6730    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2741    0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991    0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5116   -0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2261   -0.2605    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7972   -1.0855    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9241   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7491   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1616   -2.1020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8616    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0366    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0366    1.5809    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0366   -0.0691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9741    1.4704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50632012

> <Analog_DSSTox_Structure_Id>
DTXCID90582764

> <Analog_Original_SMILES>
ClC(CC(Cl)(Cl)CCCl)CC(Cl)(Cl)CCCl

> <Analog_Canonical_QSARr>
ClC(CC(Cl)(Cl)CCCl)CC(Cl)(Cl)CCCl

> <Analog_CASRN>
62619-29-8

> <Analog_preferred_name>
1,3,3,5,7,7,9-Heptachlorononane

> <Analog - index>
39|39|5|68

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9736842105263158|0.9230769230769231

$$$$
DTXSID50633620
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    2.5269   -2.9611    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5269   -2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -1.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -0.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558   -0.4861    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703   -0.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3848    1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3848    1.9889    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3683   -1.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5433    0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558    0.9428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7183    0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50633620

> <Analog_DSSTox_Structure_Id>
DTXCID20584372

> <Analog_Original_SMILES>
CC(O)P(=O)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
CC(O)P(=O)(OCCCl)OCCCl

> <Analog_CASRN>
17677-54-2

> <Analog_preferred_name>
Bis(2-chloroethyl) (1-hydroxyethyl)phosphonate

> <Analog - index>
6

> <OFR_ID>
107

> <OFR_DTXSID>
DTXSID8027618

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6294-34-4

> <similarity>
0.8041237113402062

$$$$
DTXSID5063520
  Mrv1813 07271812442D          

 10  9  0  0  0  0            999 V2000
    2.2835    2.1434    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    2.5559    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5063520

> <Analog_DSSTox_Structure_Id>
DTXCID0040418

> <Analog_Original_SMILES>
BrCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCBr

> <Analog_CASRN>
4549-32-0

> <Analog_preferred_name>
Octane, 1,8-dibromo-

> <Analog - index>
149|170|170|153|59|53

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID5064205
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
    1.0460    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5064205

> <Analog_DSSTox_Structure_Id>
DTXCID6043591

> <Analog_Original_SMILES>
ClCCCCCCBr

> <Analog_Canonical_QSARr>
ClCCCCCCBr

> <Analog_CASRN>
6294-17-3

> <Analog_preferred_name>
Hexane, 1-bromo-6-chloro-

> <Analog - index>
8

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8863636363636364

$$$$
DTXSID5064207
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5064207

> <Analog_DSSTox_Structure_Id>
DTXCID6043593

> <Analog_Original_SMILES>
CC1CCC(Br)CC1

> <Analog_Canonical_QSARr>
CC1CCC(Br)CC1

> <Analog_CASRN>
6294-40-2

> <Analog_preferred_name>
Cyclohexane, 1-bromo-4-methyl-

> <Analog - index>
55

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID5064419
  Mrv1813 07271812362D          

 10 10  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5064419

> <Analog_DSSTox_Structure_Id>
DTXCID8044709

> <Analog_Original_SMILES>
BrC(=CBr)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC(=CBr)C1C=CC=CC=1

> <Analog_CASRN>
6607-46-1

> <Analog_preferred_name>
alpha.,.beta.-Dibromostyrene

> <Analog - index>
0

> <OFR_ID>
131

> <OFR_DTXSID>
DTXSID20439075

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
875-73-0

> <similarity>
0.8378378378378378

$$$$
DTXSID50699600
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    3.7928   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7928   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0796   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085    0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    0.9207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2066   -0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9513    0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7763   -0.9207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50699600

> <Analog_DSSTox_Structure_Id>
DTXCID20650349

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)CCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)CCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
601523-23-3

> <Analog_preferred_name>
1,1,1,3,8,10,10,10-Octachlorodecane

> <Analog - index>
40|40|79|202

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9230769230769231|0.875

$$$$
DTXSID50702527
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    5.4101   -0.7866    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6957   -1.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812   -0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812    0.0384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812    1.6884    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    1.6884    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523   -0.7866    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -1.2853    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523   -2.4366    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9812   -2.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4101   -2.4366    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50702527

> <Analog_DSSTox_Structure_Id>
DTXCID80653275

> <Analog_Original_SMILES>
BrC1C=C(Br)C(OC2C(Br)=C(Br)C=C(Br)C=2Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(OC2C(Br)=C(Br)C=C(Br)C=2Br)=C(Br)C=1

> <Analog_CASRN>
116995-32-5

> <Analog_preferred_name>
1,2,4,5-Tetrabromo-3-(2,4,6-tribromophenoxy)benzene

> <Analog - index>
31|29

> <OFR_ID>
26|31

> <OFR_DTXSID>
DTXSID60583561|DTXSID3052692

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|?

> <OFR_CASRN>
189084-67-1|207122-15-4

> <similarity>
0.8229166666666666|0.8315789473684211

$$$$
DTXSID5074761
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
   -1.4800   -1.6795    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634   -2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634   -2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4800   -0.8545    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5074761

> <Analog_DSSTox_Structure_Id>
DTXCID0033966

> <Analog_Original_SMILES>
BrC1=CC=CC=C1C1=CC=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC=CC=C1C1=CC=CC=C1Br

> <Analog_CASRN>
13029-09-9

> <Analog_preferred_name>
PBB 004

> <Analog - index>
64|25|67|27

> <OFR_ID>
33|37|43|46

> <OFR_DTXSID>
DTXSID9074771|DTXSID5074769|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
59080-39-6|60044-25-9|115245-07-3|92-66-0

> <similarity>
0.8|0.8526315789473684|0.801980198019802|0.813953488372093

$$$$
DTXSID5074763
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    0.5103   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    0.1179    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186   -1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -2.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -3.1821    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5074763

> <Analog_DSSTox_Structure_Id>
DTXCID3042219

> <Analog_Original_SMILES>
BrC1C=CC(Br)=CC=1C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(Br)=CC=1C1C=CC=CC=1

> <Analog_CASRN>
57422-77-2

> <Analog_preferred_name>
PBB 009

> <Analog - index>
48|53|7|42|18

> <OFR_ID>
32|33|37|40|43

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8584905660377359|0.8349514563106796|0.9072164948453608|0.875|0.91

$$$$
DTXSID5074765
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    0.3334   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811    0.2200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -1.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -3.0800    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3334   -1.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624   -1.8425    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624    0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5074765

> <Analog_DSSTox_Structure_Id>
DTXCID0042533

> <Analog_Original_SMILES>
BrC1=CC(C2C=CC=CC=2Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(C2C=CC=CC=2Br)=C(Br)C=C1

> <Analog_CASRN>
59080-34-1

> <Analog_preferred_name>
PBB 018

> <Analog - index>
54|51|34|27|1|22|24

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8018867924528302|0.8113207547169812|0.8962264150943396|0.8737864077669902|0.9484536082474226|0.9134615384615384|0.8932038834951457

$$$$
DTXSID5074767
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    0.5716   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429   -0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    0.0825    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5718   -2.3925    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429   -2.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860   -2.3925    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2860   -0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 10 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5074767

> <Analog_DSSTox_Structure_Id>
DTXCID5042532

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1C1C=CC=CC=1

> <Analog_CASRN>
59080-33-0

> <Analog_preferred_name>
PBB 030

> <Analog - index>
48|45|52|33

> <OFR_ID>
33|37|43|46

> <OFR_DTXSID>
DTXSID9074771|DTXSID5074769|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
59080-39-6|60044-25-9|115245-07-3|92-66-0

> <similarity>
0.8469387755102041|0.8061224489795918|0.83|0.8045977011494253

$$$$
DTXSID5075107
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    0.6124   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021    1.0018    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7558   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7558   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID5075107

> <Analog_DSSTox_Structure_Id>
DTXCID9035254

> <Analog_Original_SMILES>
BrC1=CC(=CC(Br)=C1)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1=CC(=CC(Br)=C1)C1C=CC=CC=1

> <Analog_CASRN>
16372-96-6

> <Analog_preferred_name>
1,1'-Biphenyl, 3,5-dibromo-

> <Analog - index>
14|46|2|20|62|34

> <OFR_ID>
34|37|38|39|43|46

> <OFR_DTXSID>
-|DTXSID5074769|DTXSID0075108|DTXSID4074770|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?|?

> <OFR_CASRN>
-|60044-25-9|16400-50-3|77102-82-0|115245-07-3|92-66-0

> <similarity>
0.8426966292134831|0.8041237113402062|0.8292682926829268|0.8111111111111111|0.81|0.8023255813953488

$$$$
DTXSID50774784
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    4.5956   -0.1990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8204   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9636   -1.2937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4079    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0399    0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    0.4814    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191    1.5760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809   -0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809   -1.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50774784

> <Analog_DSSTox_Structure_Id>
DTXCID80725527

> <Analog_Original_SMILES>
CC(C)C1C(CCl)(CCl)C1(Br)Br

> <Analog_Canonical_QSARr>
CC(C)C1C(CCl)(CCl)C1(Br)Br

> <Analog_CASRN>
185320-58-5

> <Analog_preferred_name>
1,1-Dibromo-2,2-bis(chloromethyl)-3-(propan-2-yl)cyclopropane

> <Analog - index>
10

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8444444444444444

$$$$
DTXSID50778065
  Mrv1813 07271812482D          

  8  7  0  0  0  0            999 V2000
    2.4318    0.0093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    1.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0028    2.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    1.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548    1.9613    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8923    1.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50778065

> <Analog_DSSTox_Structure_Id>
DTXCID50728808

> <Analog_Original_SMILES>
CC(O)=O.CC(CBr)(CBr)CO

> <Analog_Canonical_QSARr>
CC(CO)(CBr)CBr

> <Analog_CASRN>
181134-65-6

> <Analog_preferred_name>
Acetic acid--3-bromo-2-(bromomethyl)-2-methylpropan-1-ol (1/1)

> <Analog - index>
2|0

> <OFR_ID>
101|102

> <OFR_DTXSID>
DTXSID9020164|DTXSID9024641

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL|3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
3296-90-0|1522-92-5

> <similarity>
0.8888888888888888|1.0

$$$$
DTXSID50785719
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    4.5161   -1.1232    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9328   -0.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2485    0.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9328    0.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706    1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706    2.1253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    0.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926    0.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084   -0.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50785719

> <Analog_DSSTox_Structure_Id>
DTXCID90736462

> <Analog_Original_SMILES>
Cl[C@@H]1CC[C@H](Cl)CCCC1

> <Analog_Canonical_QSARr>
ClC1CCC(Cl)CCCC1

> <Analog_CASRN>
40572-74-5

> <Analog_preferred_name>
(1R,4S)-1,4-Dichlorocyclooctane

> <Analog - index>
56|56|207|85

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.8717948717948718|0.9210526315789473

$$$$
DTXSID50791173
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    3.4234   -2.4675    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7590   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2740   -1.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5290   -0.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615    0.2232    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4136    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    0.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7726    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1941   -0.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490   -1.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50791173

> <Analog_DSSTox_Structure_Id>
DTXCID50741916

> <Analog_Original_SMILES>
CCOP1(=O)OCC(CCl)O1

> <Analog_Canonical_QSARr>
CCOP1(=O)OCC(CCl)O1

> <Analog_CASRN>
67554-11-4

> <Analog_preferred_name>
4-(Chloromethyl)-2-ethoxy-1,3,2lambda~5~-dioxaphospholan-2-one

> <Analog - index>
6

> <OFR_ID>
138

> <OFR_DTXSID>
DTXSID7023805

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE

> <OFR_CASRN>
78-43-3

> <similarity>
0.8518518518518519

$$$$
DTXSID50792685
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    4.6177    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9033    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7599    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4743   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7599   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1888   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50792685

> <Analog_DSSTox_Structure_Id>
DTXCID80743428

> <Analog_Original_SMILES>
CC1C(Br)=C(Br)C(CBr)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
CC1C(Br)=C(Br)C(CBr)=C(Br)C=1Br

> <Analog_CASRN>
66217-03-6

> <Analog_preferred_name>
1,2,4,5-Tetrabromo-3-(bromomethyl)-6-methylbenzene

> <Analog - index>
0|0

> <OFR_ID>
122|130

> <OFR_DTXSID>
-|DTXSID90192685

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4,5-pentabromo-6-(bromomethyl)-|?

> <OFR_CASRN>
-|39568-99-5

> <similarity>
0.8620689655172413|0.9821428571428571

$$$$
DTXSID50794563
  Mrv1813 07271812472D          

 21 20  0  0  0  0            999 V2000
    5.4653    0.5039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363    0.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -0.3211    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613   -0.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2738   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0988   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5113   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5113   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -1.1461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219   -1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074   -1.1461    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3219   -2.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219   -3.2086    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4969   -2.3836    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1469   -2.3836    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2113   -0.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    2.5664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5758    1.7414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9258    1.7414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  4 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50794563

> <Analog_DSSTox_Structure_Id>
DTXCID80745306

> <Analog_Original_SMILES>
CC(C)COP(=O)(OC(Cl)C(Cl)(Cl)Cl)OC(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CC(C)COP(=O)(OC(Cl)C(Cl)(Cl)Cl)OC(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
64573-46-2

> <Analog_preferred_name>
2-Methylpropyl bis(1,2,2,2-tetrachloroethyl) phosphate

> <Analog - index>
13

> <OFR_ID>
140

> <OFR_DTXSID>
DTXSID3027615

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6145-73-9

> <similarity>
0.8051948051948052

$$$$
DTXSID50798844
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    3.0790    0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.4530    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50798844

> <Analog_DSSTox_Structure_Id>
DTXCID40749587

> <Analog_Original_SMILES>
CCCCCCCCCCC(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
653573-23-0

> <Analog_preferred_name>
1,1,1,2-Tetrachlorododecane

> <Analog - index>
77|77|160|153

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.8974358974358975|0.8974358974358975

$$$$
DTXSID50806312
  Mrv1813 07271812472D          

 10 11  0  0  0  0            999 V2000
    4.3164   -1.5395    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5395    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  3  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50806312

> <Analog_DSSTox_Structure_Id>
DTXCID30757055

> <Analog_Original_SMILES>
CC1C(C2C(Br)C2C)C1Br

> <Analog_Canonical_QSARr>
CC1C(C2C(Br)C2C)C1Br

> <Analog_CASRN>
62667-97-4

> <Analog_preferred_name>
2,2'-Dibromo-3,3'-dimethyl-1,1'-bi(cyclopropane)

> <Analog - index>
228|20|20|190|11|5

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8292682926829268|0.925|0.925|0.8536585365853658|0.925|0.9487179487179487

$$$$
DTXSID50808598
  Mrv1813 07271812472D          

 17 17  0  0  0  0            999 V2000
    4.1777    1.6289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    2.0414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6382    1.2164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9481    1.8839    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7487    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343    0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -0.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -1.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632   -2.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777   -1.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777   -0.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921   -0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921    0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50808598

> <Analog_DSSTox_Structure_Id>
DTXCID20759341

> <Analog_Original_SMILES>
ClC1CCCCCCCCCCC1C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1CCCCCCCCCCC1C(Cl)(Cl)Cl

> <Analog_CASRN>
62435-54-5

> <Analog_preferred_name>
1-Chloro-2-(trichloromethyl)cyclododecane

> <Analog - index>
78|78|18|154

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID50809969
  Mrv1813 07271812472D          

 10 11  0  0  0  0            999 V2000
    4.0326   -0.4566    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2574   -0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007   -1.5512    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4769    0.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894    1.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    1.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1089   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129    0.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
 10  4  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50809969

> <Analog_DSSTox_Structure_Id>
DTXCID40760712

> <Analog_Original_SMILES>
CC1(CC1)C1(C)CC1(Br)Br

> <Analog_Canonical_QSARr>
CC1(CC1)C1(C)CC1(Br)Br

> <Analog_CASRN>
62291-75-2

> <Analog_preferred_name>
2,2-Dibromo-1,1'-dimethyl-1,1'-bi(cyclopropane)

> <Analog - index>
33

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID50810777
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    3.6983   -2.5234    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6983   -1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233   -1.6984    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8733   -1.6984    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6983   -0.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -0.4609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127    0.3641    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127    1.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272    1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272    2.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2377    0.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5877    0.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50810777

> <Analog_DSSTox_Structure_Id>
DTXCID20761520

> <Analog_Original_SMILES>
COP(=O)(OCC(Cl)(Cl)Cl)OCC

> <Analog_Canonical_QSARr>
COP(=O)(OCC(Cl)(Cl)Cl)OCC

> <Analog_CASRN>
62217-77-0

> <Analog_preferred_name>
Ethyl methyl 2,2,2-trichloroethyl phosphate

> <Analog - index>
8|13|13

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.9183673469387755|0.8333333333333334|0.8490566037735849

$$$$
DTXSID50815787
  Mrv1813 07271812472D          

 20 20  0  0  0  0            999 V2000
    1.9356   -2.1449    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9356   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6514   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0803   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501   -0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645    0.3301    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211   -0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067    0.3301    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2211   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067   -1.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50815787

> <Analog_DSSTox_Structure_Id>
DTXCID10766529

> <Analog_Original_SMILES>
CCCCCCCCCC1C(Br)=C(O)C(Br)=C(O)C=1Br

> <Analog_Canonical_QSARr>
CCCCCCCCCC1C(Br)=C(O)C(Br)=C(O)C=1Br

> <Analog_CASRN>
61621-53-2

> <Analog_preferred_name>
2,4,6-Tribromo-5-nonylbenzene-1,3-diol

> <Analog - index>
0

> <OFR_ID>
90

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
3-(TETRABROMOPENTADECYL)-2,4,6-TRIBROMOPHENOL

> <OFR_CASRN>
-

> <similarity>
0.8506493506493507

$$$$
DTXSID50825487
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
   -2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50825487

> <Analog_DSSTox_Structure_Id>
DTXCID10776229

> <Analog_Original_SMILES>
[Mn].[CH2-]CCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCl

> <Analog_CASRN>
71478-45-0

> <Analog_preferred_name>
PUBCHEM_71404654

> <Analog - index>
232|228

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID50866613
  Mrv1813 07271812472D          

 20 24  0  0  0  0            999 V2000
    2.2527   -0.9161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140   -0.9499    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2648    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -0.1666    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6097    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    0.6237    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3905    1.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111    1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156    2.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617    2.7484    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5973    2.7909    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6650    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139    0.4347    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0187    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117   -0.3656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042    1.3597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4365    2.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15  6  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 10  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50866613

> <Analog_DSSTox_Structure_Id>
DTXCID40814880

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3C4(Cl)C2(Cl)C2C(Cl)(C3(Cl)C12Cl)C4(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C4(Cl)C2(Cl)C2C(Cl)(C3(Cl)C12Cl)C4(Cl)Cl

> <Analog_CASRN>
NOCAS_866613

> <Analog_preferred_name>
CERAPP_41706

> <Analog - index>
41|41

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.9024390243902439|0.9024390243902439

$$$$
DTXSID50870876
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
   -0.1429    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5716    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50870876

> <Analog_DSSTox_Structure_Id>
DTXCID70818558

> <Analog_Original_SMILES>
CC(CBr)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
CC(CBr)C1C=CC=CC=1

> <Analog_CASRN>
NOCAS_870876

> <Analog_preferred_name>
CERAPP_56046

> <Analog - index>
3

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8809523809523809

$$$$
DTXSID50870992
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50870992

> <Analog_DSSTox_Structure_Id>
DTXCID60818668

> <Analog_Original_SMILES>
OC1C(Br)=C(Br)C(O)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
OC1C(Br)=C(Br)C(O)=C(Br)C=1Br

> <Analog_CASRN>
NOCAS_870992

> <Analog_preferred_name>
CERAPP_56909

> <Analog - index>
1

> <OFR_ID>
117

> <OFR_DTXSID>
DTXSID9022079

> <OFR_PREFERRED_NAME>
PENTABROMOPHENOL

> <OFR_CASRN>
608-71-9

> <similarity>
0.8863636363636364

$$$$
DTXSID50872638
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
   -3.0564   -1.0771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3419   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9129    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1985   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8028    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2318    0.1604    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149   -0.9666    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    0.4624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -1.3791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7544    0.0499    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50872638

> <Analog_DSSTox_Structure_Id>
DTXCID80820288

> <Analog_Original_SMILES>
ClC(Cl)(Cl)C(Cl)(Cl)CCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)C(Cl)(Cl)CCCCCCCCCCCl

> <Analog_CASRN>
100525-30-2

> <Analog_preferred_name>
1,?1,?1,?2,?2,?12-?Hexachlorododecane

> <Analog - index>
79|79|161|155

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.8974358974358975|0.8974358974358975

$$$$
DTXSID50872653
  Mrv1813 07271812472D          

 20 19  0  0  0  0            999 V2000
   -6.7875   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50872653

> <Analog_DSSTox_Structure_Id>
DTXCID20820303

> <Analog_Original_SMILES>
ClCCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
137117-17-0

> <Analog_preferred_name>
1,18-Dichlorooctadecane

> <Analog - index>
119|119|52|39

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID50872658
  Mrv1813 07271812472D          

 22 21  0  0  0  0            999 V2000
   -7.5019   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5019    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50872658

> <Analog_DSSTox_Structure_Id>
DTXCID20820308

> <Analog_Original_SMILES>
ClCCCCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
7735-40-2

> <Analog_preferred_name>
1,20-Dichloroeicosane

> <Analog - index>
120|120|53|40

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID50874056
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    0.3037   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3227    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    1.2709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6392    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246   -0.5066    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909   -1.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6048   -2.3090    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6256   -2.1356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7093    0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2031   -0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412   -1.0755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2096    0.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680    1.4806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404    0.1369    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3350    1.1145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50874056

> <Analog_DSSTox_Structure_Id>
DTXCID101012190

> <Analog_Original_SMILES>
ClCC1(C2C(Cl)CC1(C(Cl)C2Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
ClCC1(C2C(Cl)CC1(C(Cl)C2Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
13|13|198|197

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID50874071
  Mrv1813 07271812472D          

 17 18  0  0  0  0            999 V2000
    1.2540   -1.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9742   -0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1805    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1260   -1.5879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5012    0.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    1.8210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3372    0.4183    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9742    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598    0.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    1.4309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535    0.9425    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6887    0.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887   -0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655   -0.1374    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2252   -0.9907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50874071

> <Analog_DSSTox_Structure_Id>
DTXCID701012205

> <Analog_Original_SMILES>
CC12CC(Cl)(Cl)C(CC1(Cl)Cl)C2(CCl)C(Cl)Cl

> <Analog_Canonical_QSARr>
CC12CC(Cl)(Cl)C(CC1(Cl)Cl)C2(CCl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
42|42|80|69

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9230769230769231|0.9230769230769231

$$$$
DTXSID50875644
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID50875644

> <Analog_DSSTox_Structure_Id>
DTXCID201013765

> <Analog_Original_SMILES>
ClC1C(Br)C(Br)C(Cl)C(Cl)C1Cl

> <Analog_Canonical_QSARr>
ClC1C(Br)C(Br)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
6

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8958333333333334

$$$$
DTXSID60152372
  Mrv1813 07271812442D          

 20 21  0  0  0  0            999 V2000
    4.3649   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60152372

> <Analog_DSSTox_Structure_Id>
DTXCID8074863

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=1Br

> <Analog_CASRN>
119264-59-4

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',4,4',6,6'-octabromo-

> <Analog - index>
46|43

> <OFR_ID>
25|29

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL

> <OFR_CASRN>
67733-52-2|59080-40-9

> <similarity>
0.8247422680412371|0.8350515463917526

$$$$
DTXSID60162597
  Mrv1813 07271812442D          

 11 11  0  0  0  0            999 V2000
    4.2480    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3901    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -1.7779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480   -0.9529    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60162597

> <Analog_DSSTox_Structure_Id>
DTXCID0085088

> <Analog_Original_SMILES>
OC1C(Br)=CC(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
OC1C(Br)=CC(Br)=C(Br)C=1Br

> <Analog_CASRN>
14400-94-3

> <Analog_preferred_name>
2,3,4,6-Tetrabromophenol

> <Analog - index>
2

> <OFR_ID>
109

> <OFR_DTXSID>
DTXSID6021959

> <OFR_PREFERRED_NAME>
2,4,6-TRIBROMOPHENOL

> <OFR_CASRN>
118-79-6

> <similarity>
0.8035714285714286

$$$$
DTXSID60168211
  Mrv1813 07271812442D          

 13 12  0  0  0  0            999 V2000
    1.6495    0.1745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3639   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9363    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2231    0.1745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60168211

> <Analog_DSSTox_Structure_Id>
DTXCID0090702

> <Analog_Original_SMILES>
BrCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCBr

> <Analog_CASRN>
16696-65-4

> <Analog_preferred_name>
1,11-Dibromoundecane

> <Analog - index>
77|99|99|81|131|129

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60180190
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    3.0789    1.4437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60180190

> <Analog_DSSTox_Structure_Id>
DTXCID70102681

> <Analog_Original_SMILES>
BrCC1CCCCC1

> <Analog_Canonical_QSARr>
BrCC1CCCCC1

> <Analog_CASRN>
2550-36-9

> <Analog_preferred_name>
Cyclohexane, (bromomethyl)-

> <Analog - index>
208|216|216|218|218|213

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID60195042
  Mrv1813 07271812442D          

 21 20  0  0  0  0            999 V2000
    1.6487    0.1866    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3632   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7921   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3645    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0790   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7934    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5079   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2224    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9369   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6513    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3658   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0803    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7947   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5092    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2237   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9382    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60195042

> <Analog_DSSTox_Structure_Id>
DTXCID70117533

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
42217-02-7

> <Analog_preferred_name>
Chloroicosane

> <Analog - index>
121|121|54|41

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID60195608
  Mrv1813 07271812442D          

 14 14  0  0  0  0            999 V2000
    2.5378   -1.9056    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2556   -1.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    0.7392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859    1.1517    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    1.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287    1.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2556    1.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715    0.7392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162   -1.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.9871    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60195608

> <Analog_DSSTox_Structure_Id>
DTXCID60118099

> <Analog_Original_SMILES>
CCOP1(=O)OCC(CO1)(CBr)CBr

> <Analog_Canonical_QSARr>
CCOP1(=O)OCC(CO1)(CBr)CBr

> <Analog_CASRN>
42983-32-4

> <Analog_preferred_name>
5,5-Bis(bromomethyl)-2-ethoxy-1,3,2-dioxaphosphorinane 2-oxide

> <Analog - index>
1|3

> <OFR_ID>
65|66

> <OFR_DTXSID>
DTXSID1069455|DTXSID0058691

> <OFR_PREFERRED_NAME>
?|1-PROPANOL, 3-BROMO-2,2-BIS(BROMOMETHYL)-, 1,1',1''-PHOSPHATE

> <OFR_CASRN>
61090-89-9|19186-97-1

> <similarity>
0.8108108108108109|0.8208955223880597

$$$$
DTXSID6020199
  Mrv1813 07271812442D          

  3  2  0  0  0  0            999 V2000
   -0.0002   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143   -0.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4287   -0.1377    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6020199

> <Analog_DSSTox_Structure_Id>
DTXCID60199

> <Analog_Original_SMILES>
CCBr

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
74-96-4

> <Analog_preferred_name>
Bromoethane

> <Analog - index>
12|13

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID60209719
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    5.3329    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60209719

> <Analog_DSSTox_Structure_Id>
DTXCID60132210

> <Analog_Original_SMILES>
O=P(Cl)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
O=P(Cl)(OCCCl)OCCCl

> <Analog_CASRN>
6087-94-1

> <Analog_preferred_name>
Bis(2-chloroethyl) chlorophosphate

> <Analog - index>
17|16|16

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8727272727272727|0.8|0.8135593220338984

$$$$
DTXSID60210446
  Mrv1813 07271812452D          

 11 12  0  0  0  0            999 V2000
    1.1300   -1.9062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8444   -1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444   -0.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300   -0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    0.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444    0.9813    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589    0.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444    1.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    0.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -0.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  6  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60210446

> <Analog_DSSTox_Structure_Id>
DTXCID60132937

> <Analog_Original_SMILES>
O=P12OCC(CBr)(CO1)CO2

> <Analog_Canonical_QSARr>
O=P12OCC(CBr)(CO1)CO2

> <Analog_CASRN>
61481-14-9

> <Analog_preferred_name>
2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(bromomethyl)-, 1-oxide

> <Analog - index>
2|4

> <OFR_ID>
65|66

> <OFR_DTXSID>
DTXSID1069455|DTXSID0058691

> <OFR_PREFERRED_NAME>
?|1-PROPANOL, 3-BROMO-2,2-BIS(BROMOMETHYL)-, 1,1',1''-PHOSPHATE

> <OFR_CASRN>
61090-89-9|19186-97-1

> <similarity>
0.8088235294117647|0.819672131147541

$$$$
DTXSID6021537
  Mrv1813 07271812442D          

 13 12  0  0  0  0            999 V2000
    0.2704   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -0.1889    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6993   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1282   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427   -1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717   -1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9861   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7006   -1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4151   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1295   -1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6021537

> <Analog_DSSTox_Structure_Id>
DTXCID801537

> <Analog_Original_SMILES>
CCCCCCCCCCC(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(C)Cl

> <Analog_CASRN>
2350-11-0

> <Analog_preferred_name>
2-Chlorododecane

> <Analog - index>
122|122|55|42

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID60219338
  Mrv1813 07271812452D          

 19 20  0  0  0  0            999 V2000
    4.3574   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60219338

> <Analog_DSSTox_Structure_Id>
DTXCID80141829

> <Analog_Original_SMILES>
BrC1C=C(C2C=CC(Br)=C(Br)C=2Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C=CC(Br)=C(Br)C=2Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
69278-60-0

> <Analog_preferred_name>
2,2',3,3',4,4',5-Heptabromobiphenyl

> <Analog - index>
6|1|4|30|35|19|35|43|8

> <OFR_ID>
23|25|29|32|33|34|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|-|115245-07-3|69278-62-2

> <similarity>
0.8541666666666666|0.979381443298969|0.9693877551020408|0.9056603773584906|0.8653846153846154|0.826530612244898|0.8867924528301887|0.8490566037735849|0.84375

$$$$
DTXSID60221799
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60221799

> <Analog_DSSTox_Structure_Id>
DTXCID40144290

> <Analog_Original_SMILES>
ClC(Cl)CCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)CCCCCC(Cl)Cl

> <Analog_CASRN>
71570-98-4

> <Analog_preferred_name>
Heptane, 1,1,7,7-tetrachloro-

> <Analog - index>
246|246|214|215

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579|0.868421052631579

$$$$
DTXSID60233913
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    4.9842   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2697   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2697   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60233913

> <Analog_DSSTox_Structure_Id>
DTXCID90156404

> <Analog_Original_SMILES>
C=CCOC1C(Br)=CC=CC=1Br

> <Analog_Canonical_QSARr>
C=CCOC1C(Br)=CC=CC=1Br

> <Analog_CASRN>
84852-59-5

> <Analog_preferred_name>
4-(Allyloxy)-3,5-dibromobenzene

> <Analog - index>
1

> <OFR_ID>
145

> <OFR_DTXSID>
DTXSID3044918

> <OFR_PREFERRED_NAME>
1,3,5-TRIBROMO-2-(PROP-2-EN-1-YLOXY)BENZENE

> <OFR_CASRN>
3278-89-5

> <similarity>
0.8648648648648649

$$$$
DTXSID6024129
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    0.7143   -2.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143    0.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143    1.7793    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    2.6043    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291    1.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    0.1293    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -0.6957    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -2.3457    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7143   -3.1707    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  6 14  1  0  0  0  0
 15  4  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6024129

> <Analog_DSSTox_Structure_Id>
DTXCID804129

> <Analog_Original_SMILES>
BrC1=CC=C(OC2C=C(Br)C=C(Br)C=2Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC=C(OC2C=C(Br)C=C(Br)C=2Br)C(Br)=C1Br

> <Analog_CASRN>
36483-60-0

> <Analog_preferred_name>
Hexabromodiphenyl ether

> <Analog - index>
16|14|15|14|16|10|24

> <OFR_ID>
24|26|27|30|31|36|41

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048|DTXSID3030056

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9|5436-43-1

> <similarity>
0.8080808080808081|0.91|0.8811881188118812|0.8811881188118812|0.8811881188118812|0.9207920792079208|0.801980198019802

$$$$
DTXSID6026082
  Mrv1813 07271812442D          

  6  5  0  0  0  0            999 V2000
    1.5700   -1.5476    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1575   -0.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -0.4206    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4430   -1.2456    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -0.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800   -0.1187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6026082

> <Analog_DSSTox_Structure_Id>
DTXCID806082

> <Analog_Original_SMILES>
BrCC(Br)(Br)Br

> <Analog_Canonical_QSARr>
BrCC(Br)(Br)Br

> <Analog_CASRN>
630-16-0

> <Analog_preferred_name>
1,1,1,2-Tetrabromoethane

> <Analog - index>
13|0

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|1.0

$$$$
DTXSID60274462
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    2.9211   -1.4958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7908   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783   -0.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3078    0.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867    1.3619    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1378   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448    0.5975    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1327    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366    1.3818    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5538   -0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787   -0.0371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1499   -0.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1886   -1.5905    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8548   -1.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5785   -0.7991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8359   -2.0200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60274462

> <Analog_DSSTox_Structure_Id>
DTXCID30225941

> <Analog_Original_SMILES>
CC1(C)C2(Cl)C(Cl)C1(Cl)C(Cl)C(Cl)C2(Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
CC1(C)C2(Cl)C(Cl)C1(Cl)C(Cl)C(Cl)C2(Cl)C(Cl)Cl

> <Analog_CASRN>
84227-47-4

> <Analog_preferred_name>
1,2,3,4,5,7-hexachloro-2-(dichloromethyl)-6,6-dimethylbicyclo[3.1.1]heptane

> <Analog - index>
4|4|145|134

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.975609756097561|0.975609756097561|0.9024390243902439|0.9024390243902439

$$$$
DTXSID60280846
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60280846

> <Analog_DSSTox_Structure_Id>
DTXCID40232000

> <Analog_Original_SMILES>
CC(C)CCCC(C)CCCl

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCCl

> <Analog_CASRN>
5453-97-4

> <Analog_preferred_name>
1-chloro-3,7-dimethyloctane

> <Analog - index>
182|182|127|115

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID60295490
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    0.3517    0.4749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -1.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951   -0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662   -0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    1.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60295490

> <Analog_DSSTox_Structure_Id>
DTXCID00246628

> <Analog_Original_SMILES>
CC12CC(CC1)CC2Cl

> <Analog_Canonical_QSARr>
CC12CC(CC1)CC2Cl

> <Analog_CASRN>
22768-96-3

> <Analog_preferred_name>
2-Chloro-1-methylbicyclo[2.2.1]heptane

> <Analog - index>
233|229

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID60298461
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    6.6411   -0.4346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8161   -0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4036    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952    0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786    1.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    1.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1744    0.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3494    0.9943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9952   -0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  8  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60298461

> <Analog_DSSTox_Structure_Id>
DTXCID00249598

> <Analog_Original_SMILES>
CC1(C)C(CC1CCCl)CCCl

> <Analog_Canonical_QSARr>
CC1(C)C(CC1CCCl)CCCl

> <Analog_CASRN>
3183-48-0

> <Analog_preferred_name>
2,4-bis(2-chloroethyl)-1,1-dimethylcyclobutane

> <Analog - index>
229|229|189|187

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID60302633
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    1.7807   -1.4501    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -0.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.6251    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60302633

> <Analog_DSSTox_Structure_Id>
DTXCID10253767

> <Analog_Original_SMILES>
ClC1CC2CC1(Cl)CC2

> <Analog_Canonical_QSARr>
ClC1CC2CC1(Cl)CC2

> <Analog_CASRN>
15019-72-4

> <Analog_preferred_name>
1,2-dichlorobicyclo[2.2.1]heptane

> <Analog - index>
183|183

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.85|0.85

$$$$
DTXSID60319726
  Mrv1813 07271812452D          

 12 13  0  0  0  0            999 V2000
    3.9770   -0.6975    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2017   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450   -1.7921    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7892   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4212    0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6089    0.6975    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9770    1.7921    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0087    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0532   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1572    0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12  4  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60319726

> <Analog_DSSTox_Structure_Id>
DTXCID20270849

> <Analog_Original_SMILES>
CC1(CC1(Br)Br)C1(C)CC1(Br)Br

> <Analog_Canonical_QSARr>
CC1(CC1(Br)Br)C1(C)CC1(Br)Br

> <Analog_CASRN>
62405-61-2

> <Analog_preferred_name>
2,2,2',2'-Tetrabromo-1,1'-dimethyl-1,1'-bi(cyclopropane)

> <Analog - index>
6

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9090909090909091

$$$$
DTXSID60334439
  Mrv1813 07271812452D          

  8  7  0  0  0  0            999 V2000
    1.2926    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7215    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4360    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5794    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60334439

> <Analog_DSSTox_Structure_Id>
DTXCID70285529

> <Analog_Original_SMILES>
CC(C)CCCCBr

> <Analog_Canonical_QSARr>
CC(C)CCCCBr

> <Analog_CASRN>
35354-37-1

> <Analog_preferred_name>
1-Bromo-5-methylhexane

> <Analog - index>
34

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID60336534
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    3.6176    1.0884    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2496    0.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816    1.0884    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8371   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226   -0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6937   -0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3765   -0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60336534

> <Analog_DSSTox_Structure_Id>
DTXCID10287623

> <Analog_Original_SMILES>
CCC1C(CCCC)C1(Cl)Cl

> <Analog_Canonical_QSARr>
CCC1C(CCCC)C1(Cl)Cl

> <Analog_CASRN>
24551-86-8

> <Analog_preferred_name>
2-Butyl-1,1-dichloro-3-ethylcyclopropane

> <Analog - index>
210|210|175|174

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID60337682
  Mrv1813 07271812452D          

 10  9  0  0  0  0            999 V2000
    5.2221    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60337682

> <Analog_DSSTox_Structure_Id>
DTXCID40288769

> <Analog_Original_SMILES>
CC(Cl)C(Cl)CCCCC

> <Analog_Canonical_QSARr>
CC(Cl)C(Cl)CCCCC

> <Analog_CASRN>
21948-47-0

> <Analog_preferred_name>
2,3-Dichlorooctane

> <Analog - index>
123|123|176|175

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8947368421052632|0.8947368421052632

$$$$
DTXSID60337687
  Mrv1813 07271812452D          

 13 13  0  0  0  0            999 V2000
    2.4891    1.5134    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0766    0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766   -0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391   -1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -2.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766   -2.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891   -1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141    0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266    0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516    0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.5134    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60337687

> <Analog_DSSTox_Structure_Id>
DTXCID90288774

> <Analog_Original_SMILES>
BrCC(CCCBr)C1CCCCC1

> <Analog_Canonical_QSARr>
BrCC(CCCBr)C1CCCCC1

> <Analog_CASRN>
61639-12-1

> <Analog_preferred_name>
Cyclohexane, [4-bromo-1-(bromomethyl)butyl]-

> <Analog - index>
125|21|21|11|38|32

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9230769230769231|0.925|0.925|0.9487179487179487|0.8780487804878049|0.9

$$$$
DTXSID60337945
  Mrv1813 07271812452D          

 12 11  0  0  0  0            999 V2000
    1.6503    0.4126    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60337945

> <Analog_DSSTox_Structure_Id>
DTXCID20289032

> <Analog_Original_SMILES>
CCCCCCCCC(C)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCC(C)CBr

> <Analog_CASRN>
127839-47-8

> <Analog_preferred_name>
1-Bromo-2-methyldecane

> <Analog - index>
78|100|100|82|132|130

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60339560
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    2.5212   -0.8004    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6644    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892    0.2942    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4894    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2039   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6328   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7762    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0769    0.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  4  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60339560

> <Analog_DSSTox_Structure_Id>
DTXCID00290641

> <Analog_Original_SMILES>
CCCCCCC1CC1(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCC1CC1(Br)Br

> <Analog_CASRN>
41848-90-2

> <Analog_preferred_name>
1,1-Dibromo-2-hexylcyclopropane

> <Analog - index>
79|101|101|83|133|131

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60349104
  Mrv1813 07271812452D          

  8  8  0  0  0  0            999 V2000
    4.1507    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60349104

> <Analog_DSSTox_Structure_Id>
DTXCID80300176

> <Analog_Original_SMILES>
C[C@@H]1CCCC[C@H]1Cl

> <Analog_Canonical_QSARr>
CC1CCCCC1Cl

> <Analog_CASRN>
28046-83-5

> <Analog_preferred_name>
(1R,2R)-1-chloro-2-methylcyclohexane

> <Analog - index>
234|230

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID60381645
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    3.5551   -1.0586    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9231   -0.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2911   -1.0586    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3356    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7645    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1935    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60381645

> <Analog_DSSTox_Structure_Id>
DTXCID40332670

> <Analog_Original_SMILES>
CC1C(CCCCC)C1(Br)Br

> <Analog_Canonical_QSARr>
CC1C(CCCCC)C1(Br)Br

> <Analog_CASRN>
62845-98-1

> <Analog_preferred_name>
1,1-dibromo-2-methyl-3-pentylcyclopropane

> <Analog - index>
80|102|102|84|134|132

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID6038326
  Mrv1813 07271812472D          

 18 20  0  0  0  0            999 V2000
    1.7871   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2967   -0.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4017   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4085    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    0.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080    0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6484    0.5795    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9147   -0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6618   -1.1017    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2036   -1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2336   -1.9614    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0093   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9331   -0.6248    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9453    0.0269    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2156    1.4164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3076    0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437    1.2457    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6717   -0.3016    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  5 15  1  0  0  0  0
 16  4  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6038326

> <Analog_DSSTox_Structure_Id>
DTXCID00820189

> <Analog_Original_SMILES>
ClC1(Cl)[C@@]2(Cl)[C@@H]3C[C@@H](Cl)[C@@H](Cl)[C@@H]3[C@]1(Cl)C(Cl)=C2Cl |&1:3,5,7,9,11,12|

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
5103-71-9

> <Analog_preferred_name>
cis-Chlordane

> <Analog - index>
9|9

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.9243697478991597|0.923728813559322

$$$$
DTXSID60393248
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    3.3727    0.7245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8424    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8424   -1.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568   -1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568   -0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5942    1.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639    2.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4996    0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60393248

> <Analog_DSSTox_Structure_Id>
DTXCID50344108

> <Analog_Original_SMILES>
COC(=O)C1(Br)CCCCC1

> <Analog_Canonical_QSARr>
COC(=O)C1(Br)CCCCC1

> <Analog_CASRN>
3196-23-4

> <Analog_preferred_name>
Methyl 1-bromocyclohexanecarboxylate

> <Analog - index>
5

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8831168831168831

$$$$
DTXSID60398793
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    4.5078    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60398793

> <Analog_DSSTox_Structure_Id>
DTXCID90349652

> <Analog_Original_SMILES>
CC1C(Br)=C(Cl)C(C)=C(Br)C=1Cl

> <Analog_Canonical_QSARr>
CC1C(Br)=C(Cl)C(C)=C(Br)C=1Cl

> <Analog_CASRN>
89244-52-0

> <Analog_preferred_name>
Benzene, 1,4-dibromo-2,5-dichloro-3,6-dimethyl-

> <Analog - index>
0

> <OFR_ID>
123

> <OFR_DTXSID>
DTXSID50192686

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4-tetrabromo-5-chloro-6-methyl-

> <OFR_CASRN>
39569-21-6

> <similarity>
0.8166666666666667

$$$$
DTXSID60400022
  Mrv1813 07271812462D          

 21 24  0  0  0  0            999 V2000
    3.8492   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9926   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9926   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 10 15  1  0  0  0  0
 16  9  1  0  0  0  0
 16 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60400022

> <Analog_DSSTox_Structure_Id>
DTXCID80350878

> <Analog_Original_SMILES>
BrC1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C2=CC=CC=C2C(=C2C=CC=CC2=1)C1C=CC=CC=1

> <Analog_CASRN>
23674-20-6

> <Analog_preferred_name>
9-bromo-10-phenylanthracene

> <Analog - index>
13

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8571428571428571

$$$$
DTXSID60400224
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.3643    0.3713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0787   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   -0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0800    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    1.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60400224

> <Analog_DSSTox_Structure_Id>
DTXCID60351080

> <Analog_Original_SMILES>
COC(=O)CCCCCBr

> <Analog_Canonical_QSARr>
COC(=O)CCCCCBr

> <Analog_CASRN>
14273-90-6

> <Analog_preferred_name>
Methyl 6-bromohexanoate

> <Analog - index>
3

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8918918918918919

$$$$
DTXSID6041680
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    1.5199   -2.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5037   -1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232   -1.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456   -1.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796   -1.2256    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8878   -2.6153    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3555   -2.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618   -2.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456   -1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.9691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8497   -2.6437    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5642   -3.5288    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4340   -0.1318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6719   -2.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -2.6627    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
  3 13  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6041680

> <Analog_DSSTox_Structure_Id>
DTXCID4021680

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)CC(CBr)C1(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)CC(CBr)C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
1715-40-8

> <Analog_preferred_name>
Bromociclen

> <Analog - index>
1

> <OFR_ID>
8

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8633093525179856

$$$$
DTXSID6041767
  Mrv1813 07271812442D          

 17 18  0  0  0  0            999 V2000
    1.8051   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0113   -1.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -2.4183    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -0.8459    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8051   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    0.0916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0906   -1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562   -2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4561   -0.5143    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5196   -1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    0.1085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5196   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2852   -2.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3873   -3.3728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7892   -3.3559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 11  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6041767

> <Analog_DSSTox_Structure_Id>
DTXCID4021767

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C(CCl)C(CCl)C1(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C(CCl)C(CCl)C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
2550-75-6

> <Analog_preferred_name>
Chlorbicyclen

> <Analog - index>
14|12

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.8319327731092437|0.8461538461538461

$$$$
DTXSID60422668
  Mrv1813 07271812432D          

 14 13  0  0  0  0            999 V2000
    7.3652    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -0.2063    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.5073    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3639   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1   5   1
M  END
> <Analog_dsstox_substance_id>
DTXSID60422668

> <Analog_DSSTox_Structure_Id>
DTXCID00373509

> <Analog_Original_SMILES>
O=[P+](OCC(Cl)CCl)OCC(Cl)CCl

> <Analog_Canonical_QSARr>
O=[P+](OCC(Cl)CCl)OCC(Cl)CCl

> <Analog_CASRN>
15429-92-2

> <Analog_preferred_name>
Bis(2,3-dichloropropoxy)(oxo)phosphanium

> <Analog - index>
1|3|0|4

> <OFR_ID>
10|49|138|140

> <OFR_DTXSID>
DTXSID9070406|DTXSID8028000|DTXSID7023805|DTXSID3027615

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-3-CHLOROPROPYL BIS(2-CHLORO-1-(CHLOROMETHYL)ETHYL)PHOSPHATE|PHOSPHORIC ACID, 2,2-BIS(CHLOROMETHYL)-1,3-PROPANEDIYL TETRAKIS(2-CHLOROETHYL) ESTER|TRIS(2,3-DICHLOROPROPYL)PHOSPHATE|?

> <OFR_CASRN>
66108-37-0|38051-10-4|78-43-3|6145-73-9

> <similarity>
0.8255813953488372|0.8255813953488372|1.0|0.8904109589041096

$$$$
DTXSID60448166
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.5076   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60448166

> <Analog_DSSTox_Structure_Id>
DTXCID30398987

> <Analog_Original_SMILES>
COC(=O)C(Br)CCCBr

> <Analog_Canonical_QSARr>
COC(=O)C(Br)CCCBr

> <Analog_CASRN>
50995-48-7

> <Analog_preferred_name>
Methyl 2,5-dibromopentanoate

> <Analog - index>
23

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8133333333333334

$$$$
DTXSID60454863
  Mrv1813 07271812462D          

 18 19  0  0  0  0            999 V2000
    5.8575   -0.0097    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1430   -0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285   -0.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285    0.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141    2.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285    2.4653    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9996    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851    2.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707    2.4653    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2851    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996    0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141   -0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141   -1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996   -1.6597    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4285   -1.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285   -2.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430   -1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60454863

> <Analog_DSSTox_Structure_Id>
DTXCID50405682

> <Analog_Original_SMILES>
OC1=CC(Br)=C(C=C1Br)OC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
OC1=CC(Br)=C(C=C1Br)OC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
602326-23-8

> <Analog_preferred_name>
Phenol, 2,5-dibromo-4-(2,4-dibromophenoxy)-

> <Analog - index>
34

> <OFR_ID>
36

> <OFR_DTXSID>
DTXSID9030048

> <OFR_PREFERRED_NAME>
PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
60348-60-9

> <similarity>
0.8245614035087719

$$$$
DTXSID60460388
  Mrv1813 07271812462D          

 14 14  0  0  0  0            999 V2000
    2.3644   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60460388

> <Analog_DSSTox_Structure_Id>
DTXCID90411207

> <Analog_Original_SMILES>
BrC(Br)=CC1C=CC(C=C(Br)Br)=CC=1

> <Analog_Canonical_QSARr>
BrC(Br)=CC1C=CC(C=C(Br)Br)=CC=1

> <Analog_CASRN>
77295-67-1

> <Analog_preferred_name>
Benzene, 1,4-bis(2,2-dibromoethenyl)-

> <Analog - index>
4

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8493150684931506

$$$$
DTXSID60460621
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    1.2375   -0.5537    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7678    0.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7102    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8906    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8906   -0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656   -0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60460621

> <Analog_DSSTox_Structure_Id>
DTXCID50411440

> <Analog_Original_SMILES>
BrC1(Br)[C@@H]2CCCCCC[C@H]12

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCCCCCC12

> <Analog_CASRN>
32644-18-1

> <Analog_preferred_name>
Bicyclo[6.1.0]nonane, 9,9-dibromo-, cis-

> <Analog - index>
81|103|103|85|135|133

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60462266
  Mrv1813 07271812462D          

  8  8  0  0  0  0            999 V2000
    2.3645   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60462266

> <Analog_DSSTox_Structure_Id>
DTXCID50413085

> <Analog_Original_SMILES>
ClC1CCC(Br)CC1

> <Analog_Canonical_QSARr>
ClC1CCC(Br)CC1

> <Analog_CASRN>
18656-14-9

> <Analog_preferred_name>
Cyclohexane, 1-bromo-4-chloro-, trans-

> <Analog - index>
9

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8863636363636364

$$$$
DTXSID60477017
  Mrv1813 07271812462D          

 16 17  0  0  0  0            999 V2000
    5.5796    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8651   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8651   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  5 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60477017

> <Analog_DSSTox_Structure_Id>
DTXCID30427827

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1OC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1OC1C=CC=CC=1

> <Analog_CASRN>
155999-95-4

> <Analog_preferred_name>
2,4,6-Tribromodiphenyl ether

> <Analog - index>
3|3|3

> <OFR_ID>
35|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|5436-43-1|41318-75-6

> <similarity>
0.9069767441860465|0.896551724137931|0.9069767441860465

$$$$
DTXSID60486023
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    5.0925    1.5750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3780    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3780    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2346   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5214   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2359    0.3375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60486023

> <Analog_DSSTox_Structure_Id>
DTXCID30436833

> <Analog_Original_SMILES>
CCCCC(CCCBr)CBr

> <Analog_Canonical_QSARr>
CCCCC(CCCBr)CBr

> <Analog_CASRN>
61639-10-9

> <Analog_preferred_name>
Octane, 1-bromo-4-(bromomethyl)-

> <Analog - index>
171|104|104|86|26|20

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8974358974358975|0.9|0.9|0.9230769230769231|0.9|0.9230769230769231

$$$$
DTXSID6049355
  Mrv1813 07271812442D          

 14 13  0  0  0  0            999 V2000
   -0.5195   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6240   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7674   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6253   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3397   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7687   -1.9397    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6049355

> <Analog_DSSTox_Structure_Id>
DTXCID3029314

> <Analog_Original_SMILES>
CCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCBr

> <Analog_CASRN>
765-09-3

> <Analog_preferred_name>
Tridecane,1-bromo-

> <Analog - index>
82|105|105|87|136|134

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60498348
  Mrv1813 07271812462D          

 13 14  0  0  0  0            999 V2000
    1.6499    0.1958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -2.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058   -2.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.6708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60498348

> <Analog_DSSTox_Structure_Id>
DTXCID60449158

> <Analog_Original_SMILES>
ClC1C=CC(OCC2CO2)=C(Br)C=1

> <Analog_Canonical_QSARr>
ClC1C=CC(OCC2CO2)=C(Br)C=1

> <Analog_CASRN>
68224-01-1

> <Analog_preferred_name>
2-[(2-Bromo-4-chlorophenoxy)methyl]oxirane

> <Analog - index>
1

> <OFR_ID>
148

> <OFR_DTXSID>
DTXSID40864926

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
20217-01-0

> <similarity>
0.8543046357615894

$$$$
DTXSID60498863
  Mrv1813 07271812462D          

 17 16  0  0  0  0            999 V2000
    8.0801   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3656    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9367    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5090   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2235    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60498863

> <Analog_DSSTox_Structure_Id>
DTXCID60449673

> <Analog_Original_SMILES>
COC(=O)C(Br)CCCCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
COC(=O)C(Br)CCCCCC(Br)C(=O)OC

> <Analog_CASRN>
18281-62-4

> <Analog_preferred_name>
Dimethyl 2,8-dibromononanedioate

> <Analog - index>
22

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.813953488372093

$$$$
DTXSID60500516
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    2.0414   -0.9999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7558   -0.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -0.5874    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993   -0.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993    0.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137    1.8876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973   -1.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -1.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8348   -2.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6598   -2.0164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8348   -0.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7558    0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  4 15  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60500516

> <Analog_DSSTox_Structure_Id>
DTXCID50451326

> <Analog_Original_SMILES>
CC(Cl)CP(=O)(OC(C)CCl)OC(C)CCl

> <Analog_Canonical_QSARr>
CC(Cl)CP(=O)(OC(C)CCl)OC(C)CCl

> <Analog_CASRN>
91266-85-2

> <Analog_preferred_name>
Bis(1-chloropropan-2-yl) (2-chloropropyl)phosphonate

> <Analog - index>
1

> <OFR_ID>
107

> <OFR_DTXSID>
DTXSID8027618

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6294-34-4

> <similarity>
0.8556701030927835

$$$$
DTXSID60500915
  Mrv1813 07271812462D          

  7  8  0  0  0  0            999 V2000
    1.2992   -1.0176    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7117   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    0.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5929    0.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096    0.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7117    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  3  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60500915

> <Analog_DSSTox_Structure_Id>
DTXCID50451725

> <Analog_Original_SMILES>
BrC1CC21CCC2

> <Analog_Canonical_QSARr>
BrC1CC21CCC2

> <Analog_CASRN>
71153-28-1

> <Analog_preferred_name>
1-Bromospiro[2.3]hexane

> <Analog - index>
35

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID60505061
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    3.7934   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60505061

> <Analog_DSSTox_Structure_Id>
DTXCID20455871

> <Analog_Original_SMILES>
CCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
18088-13-6

> <Analog_preferred_name>
1,1,1,3-Tetrachlorooctane

> <Analog - index>
154|154|96|209

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.8717948717948718

$$$$
DTXSID60507686
  Mrv1813 07271812462D          

  8  8  0  0  0  0            999 V2000
    3.0320    1.6660    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0320    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175   -0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849   -0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60507686

> <Analog_DSSTox_Structure_Id>
DTXCID30458494

> <Analog_Original_SMILES>
BrCCC1CCCC1

> <Analog_Canonical_QSARr>
BrCCC1CCCC1

> <Analog_CASRN>
18928-94-4

> <Analog_preferred_name>
(2-Bromoethyl)cyclopentane

> <Analog - index>
209|217|217|219|219|214

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID60507702
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    3.1813    1.1432    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    0.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510   -1.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60507702

> <Analog_DSSTox_Structure_Id>
DTXCID30458510

> <Analog_Original_SMILES>
CCC1(Br)CCCCC1

> <Analog_Canonical_QSARr>
CCC1(Br)CCCCC1

> <Analog_CASRN>
931-95-3

> <Analog_preferred_name>
1-Bromo-1-ethylcyclohexane

> <Analog - index>
210|218|218|220|220|215

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID60507823
  Mrv1813 07271812462D          

 17 16  0  0  0  0            999 V2000
    1.6501    0.0850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6527    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60507823

> <Analog_DSSTox_Structure_Id>
DTXCID70458630

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCC(C)Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCC(C)Br

> <Analog_CASRN>
74036-96-7

> <Analog_preferred_name>
2-Bromohexadecane

> <Analog - index>
83|106|106|88|137|135

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60509387
  Mrv1813 07271812462D          

 11 13  0  0  0  0            999 V2000
    2.5983   -1.3167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5983   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3742    0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4649    0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7316    0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223    0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3994   -0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  7  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60509387

> <Analog_DSSTox_Structure_Id>
DTXCID90460194

> <Analog_Original_SMILES>
CC12CC3CC1(Br)CC(C2)C3

> <Analog_Canonical_QSARr>
CC12CC3CC1(Br)CC(C2)C3

> <Analog_CASRN>
61898-33-7

> <Analog_preferred_name>
3a-Bromo-6a-methyloctahydro-2,5-methanopentalene

> <Analog - index>
84|107|107|89|138|136

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60513409
  Mrv1813 07271812462D          

 11 13  0  0  0  0            999 V2000
    2.1320    0.3771    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609    0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2754   -0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2754   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609   -1.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600   -1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5449   -0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600    0.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60513409

> <Analog_DSSTox_Structure_Id>
DTXCID70464216

> <Analog_Original_SMILES>
BrC1CC2CC1C1CCCC21

> <Analog_Canonical_QSARr>
BrC1CC2CC1C1CCCC21

> <Analog_CASRN>
81012-71-7

> <Analog_preferred_name>
5-Bromooctahydro-1H-4,7-methanoindene

> <Analog - index>
85|108|108|90|139|137

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60513762
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    3.6698    0.1747    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3843    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843   -0.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5593   -0.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2093   -2.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113   -1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0988    0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    1.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843    2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468    1.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60513762

> <Analog_DSSTox_Structure_Id>
DTXCID20464569

> <Analog_Original_SMILES>
CC(C)(C)C(=O)CC(C)(Br)C(=O)OC

> <Analog_Canonical_QSARr>
CC(C)(C)C(=O)CC(C)(Br)C(=O)OC

> <Analog_CASRN>
82884-44-4

> <Analog_preferred_name>
Methyl 2-bromo-2,5,5-trimethyl-4-oxohexanoate

> <Analog - index>
24

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8026315789473685

$$$$
DTXSID60518833
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    3.0279   -2.6260    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7424   -2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424   -1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6319    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1714    1.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1714    2.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424    1.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6319   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60518833

> <Analog_DSSTox_Structure_Id>
DTXCID60469639

> <Analog_Original_SMILES>
CC(C)(C(=O)OC)C(C)(C)CCCBr

> <Analog_Canonical_QSARr>
CC(C)(C(=O)OC)C(C)(C)CCCBr

> <Analog_CASRN>
88255-59-8

> <Analog_preferred_name>
Methyl 6-bromo-2,2,3,3-tetramethylhexanoate

> <Analog - index>
11

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8421052631578947

$$$$
DTXSID60522612
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    2.5501    1.2577    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6541    1.2577    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4147    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6896   -0.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047   -1.2923    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5146   -0.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995   -1.2923    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7695    0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    0.4147    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60522612

> <Analog_DSSTox_Structure_Id>
DTXCID60473418

> <Analog_Original_SMILES>
FC1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl

> <Analog_Canonical_QSARr>
FC1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl

> <Analog_CASRN>
90013-82-4

> <Analog_preferred_name>
1,2,3,4,5-Pentachloro-5-fluorocyclopenta-1,3-diene

> <Analog - index>
1

> <OFR_ID>
100

> <OFR_DTXSID>
DTXSID2020688

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
77-47-4

> <similarity>
0.8181818181818182

$$$$
DTXSID60529207
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.2480    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    1.5221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3901    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -1.7779    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480   -0.9529    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60529207

> <Analog_DSSTox_Structure_Id>
DTXCID20479996

> <Analog_Original_SMILES>
NC1C(Br)=CC(Br)=C(F)C=1Br

> <Analog_Canonical_QSARr>
NC1C(Br)=CC(Br)=C(F)C=1Br

> <Analog_CASRN>
84483-24-9

> <Analog_preferred_name>
2,4,6-Tribromo-3-fluoroaniline

> <Analog - index>
4

> <OFR_ID>
111

> <OFR_DTXSID>
DTXSID5051733

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
147-82-0

> <similarity>
0.8275862068965517

$$$$
DTXSID60539149
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    1.1397    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4265    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8555    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5700    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2844    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9989    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7134    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9989   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60539149

> <Analog_DSSTox_Structure_Id>
DTXCID40489936

> <Analog_Original_SMILES>
CC(C)CCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CC(C)CCCCCCCCCCCl

> <Analog_CASRN>
103196-76-5

> <Analog_preferred_name>
1-Chloro-11-methyldodecane

> <Analog - index>
124|124|56|43

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID60543721
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    2.3686    1.2411    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974    1.2411    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1397    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9561   -0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705   -1.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955   -1.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8099   -0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6263    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60543721

> <Analog_DSSTox_Structure_Id>
DTXCID00494506

> <Analog_Original_SMILES>
BrC1(Br)CCCCCC1

> <Analog_Canonical_QSARr>
BrC1(Br)CCCCCC1

> <Analog_CASRN>
102450-37-3

> <Analog_preferred_name>
1,1-Dibromocycloheptane

> <Analog - index>
211|219|219|221|221|216

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID60550652
  Mrv1813 07271812462D          

 19 20  0  0  0  0            999 V2000
    5.7112   -0.2605    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9968   -0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    0.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678    0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    2.2145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    2.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    3.0395    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1389    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244    2.2145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1389    0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    0.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -1.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -1.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -2.7355    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9968   -1.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7112   -1.9105    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
  5 13  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60550652

> <Analog_DSSTox_Structure_Id>
DTXCID50501436

> <Analog_Original_SMILES>
BrC1C=CC(OC2C=CC(Br)=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(OC2C=CC(Br)=C(Br)C=2Br)=C(Br)C=1Br

> <Analog_CASRN>
182677-28-7

> <Analog_preferred_name>
1,1'-Oxybis(2,3,4-tribromobenzene)

> <Analog - index>
8|13|4|3|11|14|6|13|13

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8494623655913979|0.9166666666666666|0.9468085106382979|0.9468085106382979|0.90625|0.8315789473684211|0.9479166666666666|0.8421052631578947|0.8315789473684211

$$$$
DTXSID60554670
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    4.0803    0.6205    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4969    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    1.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    2.0028    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.1778    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    1.1778    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725   -1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126   -0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60554670

> <Analog_DSSTox_Structure_Id>
DTXCID90505453

> <Analog_Original_SMILES>
ClC1CCCCCCC1C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1CCCCCCC1C(Cl)(Cl)Cl

> <Analog_CASRN>
62435-53-4

> <Analog_preferred_name>
1-Chloro-2-(trichloromethyl)cyclooctane

> <Analog - index>
80|80|19|156

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID60556250
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    1.3253    0.0188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6121    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60556250

> <Analog_DSSTox_Structure_Id>
DTXCID90507033

> <Analog_Original_SMILES>
CCC(C)CCCCCCBr

> <Analog_Canonical_QSARr>
CCC(C)CCCCCCBr

> <Analog_CASRN>
136539-81-6

> <Analog_preferred_name>
1-Bromo-7-methylnonane

> <Analog - index>
86|109|109|91|140|138

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60556836
  Mrv1813 07271812462D          

 17 16  0  0  0  0            999 V2000
    1.6493    0.1820    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7927   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6506   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3664   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809    0.1820    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60556836

> <Analog_DSSTox_Structure_Id>
DTXCID30507618

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
81726-81-0

> <Analog_preferred_name>
1,15-Dibromopentadecane

> <Analog - index>
87|110|110|92|141|139

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID60565968
  Mrv1813 07271812462D          

 10 11  0  0  0  0            999 V2000
    3.5688   -1.3921    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0738    0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008    1.3921    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6613    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8098    0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
 10  3  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60565968

> <Analog_DSSTox_Structure_Id>
DTXCID70516744

> <Analog_Original_SMILES>
CC1(CC1Br)C1(C)CC1Br

> <Analog_Canonical_QSARr>
CC1(CC1Br)C1(C)CC1Br

> <Analog_CASRN>
32561-39-0

> <Analog_preferred_name>
2,2'-Dibromo-1,1'-dimethyl-1,1'-bi(cyclopropane)

> <Analog - index>
2

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9393939393939394

$$$$
DTXSID60569067
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    4.8500   -1.9798    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1356   -1.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4211   -1.9798    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1356   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4211   -0.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4211    0.4952    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4211    1.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7066    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461    0.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6586    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    0.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60569067

> <Analog_DSSTox_Structure_Id>
DTXCID50519839

> <Analog_Original_SMILES>
COP(=O)(OCC(Cl)Cl)OC

> <Analog_Canonical_QSARr>
COP(=O)(OCC(Cl)Cl)OC

> <Analog_CASRN>
111883-35-3

> <Analog_preferred_name>
2,2-Dichloroethyl dimethyl phosphate

> <Analog - index>
18

> <OFR_ID>
108

> <OFR_DTXSID>
DTXSID5021411

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE

> <OFR_CASRN>
115-96-8

> <similarity>
0.8571428571428571

$$$$
DTXSID60574292
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    3.8569    1.0502    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    1.6076    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -1.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60574292

> <Analog_DSSTox_Structure_Id>
DTXCID80525064

> <Analog_Original_SMILES>
Cl[C@@H]1CCCCCC[C@@H]1Cl

> <Analog_Canonical_QSARr>
ClC1CCCCCCC1Cl

> <Analog_CASRN>
16250-67-2

> <Analog_preferred_name>
(1R,2S)-1,2-Dichlorocyclooctane

> <Analog - index>
125|125|177|176

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8947368421052632|0.8947368421052632

$$$$
DTXSID60575729
  Mrv1813 07271812462D          

 31 30  0  0  0  0            999 V2000
    1.6472    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3617   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5051    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2196   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3630    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0775   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7919    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5064   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2209    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6498    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3643   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0788    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7932   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5077    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2222   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9366    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6511   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3656    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0800   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7945    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5090   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2235    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9379   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6524    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3669   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0813    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60575729

> <Analog_DSSTox_Structure_Id>
DTXCID30526501

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
62016-82-4

> <Analog_preferred_name>
1-Chlorotriacontane

> <Analog - index>
126|126|57|44

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID60597148
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    5.2310   -3.7154    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6435   -3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310   -2.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435   -1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310   -0.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310    0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455    0.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5165    0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8185    1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310    2.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8185    2.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    1.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60597148

> <Analog_DSSTox_Structure_Id>
DTXCID80547908

> <Analog_Original_SMILES>
COC(=O)C(C)(C)CCCCCBr

> <Analog_Canonical_QSARr>
COC(=O)C(C)(C)CCCCCBr

> <Analog_CASRN>
113561-62-9

> <Analog_preferred_name>
Methyl 7-bromo-2,2-dimethylheptanoate

> <Analog - index>
26

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8

$$$$
DTXSID6060397
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    2.3022    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    1.9708    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5557   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6060397

> <Analog_DSSTox_Structure_Id>
DTXCID1042362

> <Analog_Original_SMILES>
OC1=CC(Br)=C(O)C=C1

> <Analog_Canonical_QSARr>
OC1=CC(Br)=C(O)C=C1

> <Analog_CASRN>
583-69-7

> <Analog_preferred_name>
1,4-Benzenediol, 2-bromo-

> <Analog - index>
8

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8412698412698413

$$$$
DTXSID60606764
  Mrv1813 07271812462D          

 13 14  0  0  0  0            999 V2000
    2.8384   -2.0078    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5528   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -0.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2673    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2673   -0.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    1.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2673    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2673    2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153    0.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60606764

> <Analog_DSSTox_Structure_Id>
DTXCID20557521

> <Analog_Original_SMILES>
CCCC12CCC(CBr)(CC1)CC2

> <Analog_Canonical_QSARr>
CCCC12CCC(CBr)(CC1)CC2

> <Analog_CASRN>
87456-78-8

> <Analog_preferred_name>
1-(Bromomethyl)-4-propylbicyclo[2.2.2]octane

> <Analog - index>
177|190|190|182|204|198

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.8717948717948718|0.8048780487804879|0.825

$$$$
DTXSID60609816
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    9.7772    1.2891    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7772    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0627    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3482    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6337    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4903    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4916    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    0.4641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60609816

> <Analog_DSSTox_Structure_Id>
DTXCID00560573

> <Analog_Original_SMILES>
CCCCCCCCCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCC(Cl)CCl

> <Analog_CASRN>
701920-83-4

> <Analog_preferred_name>
1,2-Dichlorotetradecane

> <Analog - index>
57|57|97|86

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID60613938
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    3.1504    1.7898    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359    0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359   -0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685   -0.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -1.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484   -1.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -0.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070    0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60613938

> <Analog_DSSTox_Structure_Id>
DTXCID60564693

> <Analog_Original_SMILES>
CCC(CCl)C1CCCC1

> <Analog_Canonical_QSARr>
CCC(CCl)C1CCCC1

> <Analog_CASRN>
63418-37-1

> <Analog_preferred_name>
(1-Chlorobutan-2-yl)cyclopentane

> <Analog - index>
184|184|128|116

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID60631834
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    1.6498   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60631834

> <Analog_DSSTox_Structure_Id>
DTXCID30582586

> <Analog_Original_SMILES>
CC(Cl)CCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CC(Cl)CCCCC(Cl)Cl

> <Analog_CASRN>
61700-01-4

> <Analog_preferred_name>
1,1,6-Trichloroheptane

> <Analog - index>
247|247

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8048780487804879|0.8048780487804879

$$$$
DTXSID60634340
  Mrv1813 07271812472D          

  9  8  0  0  0  0            999 V2000
    2.5233   -2.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5233   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7772    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60634340

> <Analog_DSSTox_Structure_Id>
DTXCID30585092

> <Analog_Original_SMILES>
CC(C)(C)CCCCBr

> <Analog_Canonical_QSARr>
CC(C)(C)CCCCBr

> <Analog_CASRN>
15898-91-6

> <Analog_preferred_name>
1-Bromo-5,5-dimethylhexane

> <Analog - index>
48

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8181818181818182

$$$$
DTXSID6063519
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9992    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    2.5559    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6063519

> <Analog_DSSTox_Structure_Id>
DTXCID5040417

> <Analog_Original_SMILES>
BrCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCBr

> <Analog_CASRN>
4549-31-9

> <Analog_preferred_name>
Heptane, 1,7-dibromo-

> <Analog - index>
236|198|199|235

> <OFR_ID>
2|20|128|129

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.8461538461538461|0.825|0.8

$$$$
DTXSID60648144
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    4.5937   -2.8816    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5937   -2.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4187   -2.0566    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7687   -2.0566    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5937   -1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    0.0059    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    0.8309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648    1.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    0.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    0.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60648144

> <Analog_DSSTox_Structure_Id>
DTXCID80598894

> <Analog_Original_SMILES>
CCOP(=O)(OCC(Cl)(Cl)Cl)OC(C)C

> <Analog_Canonical_QSARr>
CCOP(=O)(OCC(Cl)(Cl)Cl)OC(C)C

> <Analog_CASRN>
62217-84-9

> <Analog_preferred_name>
Ethyl propan-2-yl 2,2,2-trichloroethyl phosphate

> <Analog - index>
14|4|4

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8846153846153846|0.9074074074074074|0.9245283018867925

$$$$
DTXSID6067888
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6067888

> <Analog_DSSTox_Structure_Id>
DTXCID3038939

> <Analog_Original_SMILES>
BrC1CCC(Br)CC1

> <Analog_Canonical_QSARr>
BrC1CCC(Br)CC1

> <Analog_CASRN>
35076-92-7

> <Analog_preferred_name>
1,4-Dibromocyclohexane

> <Analog - index>
11

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8787878787878788

$$$$
DTXSID6068779
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    1.0460    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6068779

> <Analog_DSSTox_Structure_Id>
DTXCID5041229

> <Analog_Original_SMILES>
CC(C)CCCCCBr

> <Analog_Canonical_QSARr>
CC(C)CCCCCBr

> <Analog_CASRN>
52648-04-1

> <Analog_preferred_name>
Heptane, 1-bromo-6-methyl-

> <Analog - index>
212|220|220|222|222|217

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID6069402
  Mrv1813 07271812442D          

 45 48  0  0  0  0            999 V2000
    1.7940   -5.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -6.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2065   -4.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -5.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -4.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -3.1072    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3494   -4.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639   -3.9322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783   -4.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928   -3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073   -4.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9217   -3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9217   -3.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073   -2.6947    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6362   -2.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3507   -3.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0652   -2.6947    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3507   -3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6362   -4.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6362   -5.1697    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3494   -5.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639   -5.5822    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -5.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085   -5.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085   -6.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230   -7.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230   -8.0572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9374   -6.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6519   -7.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6519   -8.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3664   -8.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3664   -9.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0809   -9.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0809  -10.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3664  -10.9447    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7953  -10.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5098  -10.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2243  -10.9447    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.5098   -9.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7953   -9.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7953   -8.4697    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9374   -5.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6519   -5.5822    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2230   -5.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22  8  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  2  0  0  0  0
  4 24  1  0  0  0  0
  1 25  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 27  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  2  0  0  0  0
 35 36  1  0  0  0  0
 37 35  1  0  0  0  0
 38 37  2  0  0  0  0
 38 39  1  0  0  0  0
 40 38  1  0  0  0  0
 41 40  2  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 43 29  1  0  0  0  0
 43 44  1  0  0  0  0
 45 43  2  0  0  0  0
 25 45  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6069402

> <Analog_DSSTox_Structure_Id>
DTXCID2042806

> <Analog_Original_SMILES>
CC(C)(C1=CC(Br)=C(OCCOC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1)C1=CC(Br)=C(OCCOC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Br)=C(OCCOC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1)C1=CC(Br)=C(OCCOC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1

> <Analog_CASRN>
60413-57-2

> <Analog_preferred_name>
Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]-

> <Analog - index>
1|1

> <OFR_ID>
83|87

> <OFR_DTXSID>
DTXSID4038922|DTXSID0052700

> <OFR_PREFERRED_NAME>
ETHANOL, 2,2'-((1-METHYLETHYLIDENE)BIS((2,6-DIBROMO-4,1-PHENYLENE)OXY))BIS-|Oxirane, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bis-

> <OFR_CASRN>
4162-45-2|3072-84-2

> <similarity>
0.8690476190476191|0.8388888888888889

$$$$
DTXSID6069535
  Mrv1813 07271812442D          

 18 17  0  0  0  0            999 V2000
   13.6637    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9492    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2347    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8058    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0913    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3769    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6624    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9479    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2334    5.0013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3781    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0926    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5216    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2360    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9505    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6650    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3794    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6069535

> <Analog_DSSTox_Structure_Id>
DTXCID5043215

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCl

> <Analog_CASRN>
62016-75-5

> <Analog_preferred_name>
Heptadecane, 1-chloro-

> <Analog - index>
127|127|58|45

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID60697793
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60697793

> <Analog_DSSTox_Structure_Id>
DTXCID00648542

> <Analog_Original_SMILES>
CCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
14983-60-9

> <Analog_preferred_name>
1,1,1,3-Tetrachlorododecane

> <Analog - index>
81|81|20|157

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID60697819
  Mrv1813 07271812472D          

 12 11  0  0  0  0            999 V2000
    6.6513    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60697819

> <Analog_DSSTox_Structure_Id>
DTXCID60648568

> <Analog_Original_SMILES>
ClC(CCCCC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(CCCCC(Cl)CCl)CCl

> <Analog_CASRN>
865306-19-0

> <Analog_preferred_name>
1,2,7,8-Tetrachlorooctane

> <Analog - index>
28|28|162|158

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|0.8974358974358975|0.8974358974358975

$$$$
DTXSID60704794
  Mrv1813 07271812472D          

 17 19  0  0  0  0            999 V2000
    1.9541    2.4624    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9541    1.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    1.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976    0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -2.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686    0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9541   -0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
  8 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60704794

> <Analog_DSSTox_Structure_Id>
DTXCID30655542

> <Analog_Original_SMILES>
BrC1=CC=CC2C(=CC=CC=21)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1=CC=CC2C(=CC=CC=21)C1C=CC=CC=1

> <Analog_CASRN>
911836-38-9

> <Analog_preferred_name>
1-Bromo-5-phenylnaphthalene

> <Analog - index>
20|11

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8023255813953488|0.8604651162790697

$$$$
DTXSID60712177
  Mrv1813 07271812472D          

 28 28  0  0  0  0            999 V2000
    5.1713   -0.3241    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6002   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6002   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857   -1.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857   -2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713   -2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713   -3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568   -4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7423   -5.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3147   -1.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3147    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0291   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7436    0.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4581   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1726    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8870   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6015    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3160   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0304    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0291   -1.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3147    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0291    1.3259    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6002    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6002    2.1509    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713    1.3259    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
 13  3  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  2  0  0  0  0
 23 13  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  2  0  0  0  0
 25 26  1  0  0  0  0
 27 25  1  0  0  0  0
  2 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60712177

> <Analog_DSSTox_Structure_Id>
DTXCID80662923

> <Analog_Original_SMILES>
CCCCCCOC(=O)C1=C(C(Br)=C(Br)C(Br)=C1Br)C(=O)OCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCOC(=O)C1=C(C(Br)=C(Br)C(Br)=C1Br)C(=O)OCCCCCC

> <Analog_CASRN>
109230-28-6

> <Analog_preferred_name>
Dihexyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate

> <Analog - index>
0

> <OFR_ID>
94

> <OFR_DTXSID>
DTXSID7027887

> <OFR_PREFERRED_NAME>
BIS(2-ETHYLHEXYL) TETRABROMOPHTHALATE

> <OFR_CASRN>
26040-51-7

> <similarity>
0.9881656804733728

$$$$
DTXSID6071403
  Mrv1813 07271812442D          

 25 26  0  0  0  0            999 V2000
   -0.6573   -3.6135    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716   -2.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4861   -2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2006   -2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150   -2.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6295   -2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6295   -3.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150   -4.0260    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3440   -4.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440   -4.8510    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0585   -3.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7729   -4.0260    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0585   -2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7729   -2.3760    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3440   -2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440   -1.5510    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -1.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -1.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -0.3135    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -1.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -1.1385    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.7885    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 20  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  2  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6071403

> <Analog_DSSTox_Structure_Id>
DTXCID3045855

> <Analog_Original_SMILES>
BrC1=C(OCCOC2C=C(Br)C(Br)=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(OCCOC2C=C(Br)C(Br)=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
68299-26-3

> <Analog_preferred_name>
1-Pentabromophenoxy-2-tetrabromophenoxyethane

> <Analog - index>
1

> <OFR_ID>
57

> <OFR_DTXSID>
DTXSID60886428

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
61262-53-1

> <similarity>
0.8490566037735849

$$$$
DTXSID60720459
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    2.0003   -0.8912    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2825   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8128    0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5306    1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7181    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1878    0.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4700    0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9969   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7114   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1403   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60720459

> <Analog_DSSTox_Structure_Id>
DTXCID50671204

> <Analog_Original_SMILES>
CCCCCCC1(Br)CCCCC1

> <Analog_Canonical_QSARr>
CCCCCCC1(Br)CCCCC1

> <Analog_CASRN>
61539-85-3

> <Analog_preferred_name>
1-Bromo-1-hexylcyclohexane

> <Analog - index>
150|171|171|154|191|189

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID60731186
  Mrv1813 07271812472D          

 29 30  0  0  0  0            999 V2000
    4.3600    2.7310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3600    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166   -0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877   -0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732    0.2560    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7877   -0.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732   -1.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732   -2.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6413   -2.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6413   -3.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557   -3.8690    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -2.2190    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2166   -0.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186    0.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0745    0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    0.2560    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0745    1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    1.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5034    1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2179    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9324    1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6469    1.9060    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
 21  4  2  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  2  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60731186

> <Analog_DSSTox_Structure_Id>
DTXCID60681930

> <Analog_Original_SMILES>
CC(C)(C1=CC(Br)=C(OCCCBr)C(Br)=C1)C1=CC(Br)=C(OCCCBr)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Br)=C(OCCCBr)C(Br)=C1)C1=CC(Br)=C(OCCCBr)C(Br)=C1

> <Analog_CASRN>
112316-24-2

> <Analog_preferred_name>
1,1'-(Propane-2,2-diyl)bis[3,5-dibromo-4-(3-bromopropoxy)benzene]

> <Analog - index>
2|0

> <OFR_ID>
87|89

> <OFR_DTXSID>
DTXSID0052700|DTXSID3032129

> <OFR_PREFERRED_NAME>
Oxirane, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bis-|2,2',3,3'-TETRABROMOBISPHENOL A

> <OFR_CASRN>
3072-84-2|21850-44-2

> <similarity>
0.819672131147541|0.9470588235294117

$$$$
DTXSID60734596
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    9.0806    1.3063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0806    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9372    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2227    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5082    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7950    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5095    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60734596

> <Analog_DSSTox_Structure_Id>
DTXCID90685340

> <Analog_Original_SMILES>
CCCCCCCCCCCC(Cl)CC

> <Analog_Canonical_QSARr>
CCCCCCCCCCCC(Cl)CC

> <Analog_CASRN>
64881-25-0

> <Analog_preferred_name>
3-Chlorotetradecane

> <Analog - index>
128|128|59|46

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID60745920
  Mrv1813 07271812472D          

  5  4  0  0  0  0            999 V2000
    4.6769   -0.8574    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2644   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019    0.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60745920

> <Analog_DSSTox_Structure_Id>
DTXCID00696664

> <Analog_Original_SMILES>
O[13CH2][13CH2][13CH2]Br

> <Analog_Canonical_QSARr>
OCCCBr

> <Analog_CASRN>
1173021-06-1

> <Analog_preferred_name>
3-Bromo(~13~C_3_)propan-1-ol

> <Analog - index>
10

> <OFR_ID>
102

> <OFR_DTXSID>
DTXSID9024641

> <OFR_PREFERRED_NAME>
3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
1522-92-5

> <similarity>
0.8518518518518519

$$$$
DTXSID6074754
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    0.3761   -1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -0.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384    0.1953    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529   -1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674   -0.6297    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529   -1.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674   -2.2797    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -2.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -3.1047    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3761   -1.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905   -2.2797    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0905   -0.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -0.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339   -1.0422    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339    0.6078    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8050    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6074754

> <Analog_DSSTox_Structure_Id>
DTXCID3048150

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1Br)C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1Br)C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
79682-25-0

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,3',4,4',5,6-heptabromo-

> <Analog - index>
13|15|15|40|39|20|45|46|9

> <OFR_ID>
23|25|29|32|33|34|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|-|115245-07-3|69278-62-2

> <similarity>
0.8333333333333334|0.9387755102040817|0.9292929292929293|0.8867924528301887|0.8640776699029126|0.8247422680412371|0.8679245283018868|0.8476190476190476|0.8421052631578947

$$$$
DTXSID60751389
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    0.3767   -0.4453    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0912   -0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8056    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201   -0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8056   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2346    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9490    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6635    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3780    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0925    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5214    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60751389

> <Analog_DSSTox_Structure_Id>
DTXCID00702133

> <Analog_Original_SMILES>
CCCCCCCC12CCC(Cl)(CC1)CC2

> <Analog_Canonical_QSARr>
CCCCCCCC12CCC(Cl)(CC1)CC2

> <Analog_CASRN>
89027-54-3

> <Analog_preferred_name>
1-Chloro-4-heptylbicyclo[2.2.2]octane

> <Analog - index>
185|185|129|117

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID6075350
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID6075350

> <Analog_DSSTox_Structure_Id>
DTXCID0041014

> <Analog_Original_SMILES>
Cl[C@H]1CCCC[C@H]1Br

> <Analog_Canonical_QSARr>
ClC1CCCCC1Br

> <Analog_CASRN>
51422-75-4

> <Analog_preferred_name>
cis-1-Bromo-2-chlorocyclohexane

> <Analog - index>
3

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.9090909090909091

$$$$
DTXSID60760476
  Mrv1813 07271812472D          

 17 18  0  0  0  0            999 V2000
    4.5079   -0.2615    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2615    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -3.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -3.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60760476

> <Analog_DSSTox_Structure_Id>
DTXCID90711219

> <Analog_Original_SMILES>
CC(C)(C)C1=CC(Br)=C(OCC2CO2)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C)(C)C1=CC(Br)=C(OCC2CO2)C(Br)=C1

> <Analog_CASRN>
98293-59-5

> <Analog_preferred_name>
2-[(2,6-Dibromo-4-tert-butylphenoxy)methyl]oxirane

> <Analog - index>
0

> <OFR_ID>
87

> <OFR_DTXSID>
DTXSID0052700

> <OFR_PREFERRED_NAME>
Oxirane, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bis-

> <OFR_CASRN>
3072-84-2

> <similarity>
0.872093023255814

$$$$
DTXSID60762197
  Mrv1813 07271812482D          

  7  6  0  0  0  0            999 V2000
    3.1842    0.5165    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7717    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    1.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092    1.9454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    0.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092    0.5165    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60762197

> <Analog_DSSTox_Structure_Id>
DTXCID10712940

> <Analog_Original_SMILES>
CC(O)=O.OCC(CBr)CBr

> <Analog_Canonical_QSARr>
OCC(CBr)CBr

> <Analog_CASRN>
106023-64-7

> <Analog_preferred_name>
Acetic acid--3-bromo-2-(bromomethyl)propan-1-ol (1/1)

> <Analog - index>
7|3

> <OFR_ID>
101|102

> <OFR_DTXSID>
DTXSID9020164|DTXSID9024641

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL|3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
3296-90-0|1522-92-5

> <similarity>
0.8|0.8888888888888888

$$$$
DTXSID60766938
  Mrv1813 07271812372D          

 10 10  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  4  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60766938

> <Analog_DSSTox_Structure_Id>
DTXCID00717681

> <Analog_Original_SMILES>
FC(Br)=CC1C=CC=CC=1

> <Analog_Canonical_QSARr>
FC(Br)=CC1C=CC=CC=1

> <Analog_CASRN>
118559-15-2

> <Analog_preferred_name>
(2-Bromo-2-fluoroethenyl)benzene

> <Analog - index>
7

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8205128205128205

$$$$
DTXSID60772317
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
   -2.8579    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60772317

> <Analog_DSSTox_Structure_Id>
DTXCID00723060

> <Analog_Original_SMILES>
[Mn].[CH2-]CCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCl

> <Analog_CASRN>
147608-28-4

> <Analog_preferred_name>
PUBCHEM_71346136

> <Analog - index>
186|186|130|118

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID60777827
  Mrv1813 07271812472D          

 13 14  0  0  0  0            999 V2000
    2.8924    0.0634    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6076   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.7590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6034    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639    0.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   -0.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488   -1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -1.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682   -1.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60777827

> <Analog_DSSTox_Structure_Id>
DTXCID00728570

> <Analog_Original_SMILES>
ClC1(Cl)C2CCCCC1CCCC2

> <Analog_Canonical_QSARr>
ClC1(Cl)C2CCCCC1CCCC2

> <Analog_CASRN>
19026-92-7

> <Analog_preferred_name>
11,11-Dichlorobicyclo[4.4.1]undecane

> <Analog - index>
211|211|178|177

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID60783706
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    4.5080   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60783706

> <Analog_DSSTox_Structure_Id>
DTXCID50734449

> <Analog_Original_SMILES>
BrC1=CC(OC2=CC(Br)=CC=C2)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(OC2=CC(Br)=CC=C2)=C(Br)C=C1

> <Analog_CASRN>
337513-75-4

> <Analog_preferred_name>
1,4-Dibromo-2-(3-bromophenoxy)benzene

> <Analog - index>
34|30|29|35|26

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8217821782178217|0.8118811881188119|0.8118811881188119|0.8118811881188119|0.8514851485148515

$$$$
DTXSID60791588
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    5.1672    0.0809    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3826   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7151    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2672    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631    0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4711    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0915    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3026   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60791588

> <Analog_DSSTox_Structure_Id>
DTXCID40742331

> <Analog_Original_SMILES>
CC(Cl)[C@H]1CC[C@H](Cl)C1(C)C

> <Analog_Canonical_QSARr>
CC(Cl)C1CCC(Cl)C1(C)C

> <Analog_CASRN>
67277-52-5

> <Analog_preferred_name>
PUBCHEM_71368531

> <Analog - index>
129|129|179|47

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8947368421052632|0.9459459459459459

$$$$
DTXSID60793289
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    5.7582   -0.2558    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0437   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9003    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    2.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9003    0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.7308    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0437   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60793289

> <Analog_DSSTox_Structure_Id>
DTXCID40744032

> <Analog_Original_SMILES>
OC1C=CC(=CC=1)OC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
OC1C=CC(=CC=1)OC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
65696-64-2

> <Analog_preferred_name>
4-(2,4-Dibromophenoxy)phenol

> <Analog - index>
24|21|20

> <OFR_ID>
35|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|5436-43-1|41318-75-6

> <similarity>
0.8|0.81|0.8181818181818182

$$$$
DTXSID60795703
  Mrv1813 07271812472D          

 11 10  0  0  0  0            999 V2000
    1.6503    0.0188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    1.2563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2226    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0805    0.4313    0.0000 B   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60795703

> <Analog_DSSTox_Structure_Id>
DTXCID50746446

> <Analog_Original_SMILES>
[B]CCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
[B]CCCCCCCC(Cl)Cl

> <Analog_CASRN>
63348-82-3

> <Analog_preferred_name>
PUBCHEM_71372854

> <Analog - index>
202|202|163|159

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8333333333333334|0.8333333333333334|0.8974358974358975|0.8974358974358975

$$$$
DTXSID60806904
  Mrv1813 07271812472D          

  9 10  0  0  0  0            999 V2000
    0.5432    0.2541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826    0.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277    1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5320    0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899    0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5320   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277   -0.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60806904

> <Analog_DSSTox_Structure_Id>
DTXCID40757647

> <Analog_Original_SMILES>
ClC1C2CCCCCC21

> <Analog_Canonical_QSARr>
ClC1C2CCCCCC21

> <Analog_CASRN>
62613-90-5

> <Analog_preferred_name>
8-Chlorobicyclo[5.1.0]octane

> <Analog - index>
187|187|131|119

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID60807875
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    6.0605   -0.0604    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3460   -0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315   -0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171   -0.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026   -0.0604    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4881    0.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736   -0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6151    0.6541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7901   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60807875

> <Analog_DSSTox_Structure_Id>
DTXCID80758618

> <Analog_Original_SMILES>
COP(=O)(C=C)OCCCl

> <Analog_Canonical_QSARr>
COP(=O)(C=C)OCCCl

> <Analog_CASRN>
62516-51-2

> <Analog_preferred_name>
2-Chloroethyl methyl ethenylphosphonate

> <Analog - index>
0

> <OFR_ID>
105

> <OFR_DTXSID>
DTXSID9051589

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
115-98-0

> <similarity>
0.925

$$$$
DTXSID60808600
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    4.5321    0.4693    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8871   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438    0.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438    1.9629    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3188    1.1379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9688    1.1379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4005   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2169   -0.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707   -0.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60808600

> <Analog_DSSTox_Structure_Id>
DTXCID40759343

> <Analog_Original_SMILES>
ClC1CCCCCC1C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1CCCCCC1C(Cl)(Cl)Cl

> <Analog_CASRN>
62435-51-2

> <Analog_preferred_name>
1-Chloro-2-(trichloromethyl)cycloheptane

> <Analog - index>
155|155|98|210

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.8717948717948718

$$$$
DTXSID60855912
  Mrv1813 07271812472D          

 30 35  0  0  0  0            999 V2000
    3.7516    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7516    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1806    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1806    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1806   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1806   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3240   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3240   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3240    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3240    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  2 11  2  0  0  0  0
 12  6  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 15  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 13 27  2  0  0  0  0
 28 12  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
  5 30  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60855912

> <Analog_DSSTox_Structure_Id>
DTXCID30806653

> <Analog_Original_SMILES>
BrC1=CC=CC2=CC3C(=CC=CC=3C=C12)C1=CC=CC2C=C3C(=CC=21)C=CC=C3Br

> <Analog_Canonical_QSARr>
BrC1=CC=CC2=CC3C(=CC=CC=3C=C12)C1=CC=CC2C=C3C(=CC=21)C=CC=C3Br

> <Analog_CASRN>
912479-44-8

> <Analog_preferred_name>
5,5'-Dibromo-1,1'-bianthracene

> <Analog - index>
28

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.813953488372093

$$$$
DTXSID60866785
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    1.0717   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.4438    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -3.5062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60866785

> <Analog_DSSTox_Structure_Id>
DTXCID00815030

> <Analog_Original_SMILES>
BrC1=CC(Br)=CC=C1C1=CC(Br)=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=CC=C1C1=CC(Br)=CC=C1Br

> <Analog_CASRN>
NOCAS_866785

> <Analog_preferred_name>
CERAPP_42127

> <Analog - index>
26|23|6|0|8|3|9

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8857142857142857|0.8952380952380953|0.9622641509433962|0.9607843137254902|0.9029126213592233|0.9619047619047619|0.9238095238095239

$$$$
DTXSID60871379
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
   -2.0243   -1.9937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -2.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -2.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -1.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -1.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -1.1687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    0.4813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    1.3063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243    0.4813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243   -1.1687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60871379

> <Analog_DSSTox_Structure_Id>
DTXCID50819048

> <Analog_Original_SMILES>
BrC1=CC=CC=C1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1=CC=CC=C1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
NOCAS_871379

> <Analog_preferred_name>
CERAPP_58872

> <Analog - index>
33|35|21|10|24|13|20

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.883495145631068|0.875|0.9245283018867925|0.9029126213592233|0.8640776699029126|0.9423076923076923|0.9038461538461539

$$$$
DTXSID60872265
  Mrv1813 07271812472D          

 19 20  0  0  0  0            999 V2000
    2.1434   -6.1440    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.3690    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.1940    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.6690    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -3.6690    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -5.3190    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16  5  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60872265

> <Analog_DSSTox_Structure_Id>
DTXCID50819866

> <Analog_Original_SMILES>
BrC1=CC=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1Br

> <Analog_CASRN>
NOCAS_872265

> <Analog_preferred_name>
CERAPP_64868

> <Analog - index>
7|9|1|0|7|13|5|12|12

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.851063829787234|0.9375|0.9680851063829787|0.9680851063829787|0.9270833333333334|0.8333333333333334|0.96875|0.84375|0.8333333333333334

$$$$
DTXSID60872285
  Mrv1813 07271812442D          

 31 30  0  0  0  0            999 V2000
   -8.5432    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8288   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1143    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3998   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6853    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9709   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2564    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5419   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8275    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3985    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6840   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0304    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3173    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0317   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7462    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4607   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1751    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6041    0.1054    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4607   -1.1321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -1.1321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -1.1321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -1.1321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9709   -1.1321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.8288   -1.1321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 18 27  1  0  0  0  0
 14 28  1  0  0  0  0
 10 29  1  0  0  0  0
  6 30  1  0  0  0  0
  2 31  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60872285

> <Analog_DSSTox_Structure_Id>
DTXCID804823

> <Analog_Original_SMILES>
CC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCl

> <Analog_Canonical_QSARr>
CC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCl

> <Analog_CASRN>
NOCAS_872285

> <Analog_preferred_name>
1,3,7,11,15,19,23-Heptachlorotetracosane

> <Analog - index>
29|29|1|6

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|1.0|0.9473684210526315

$$$$
DTXSID60872644
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
   -3.5723    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
  4 15  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60872644

> <Analog_DSSTox_Structure_Id>
DTXCID50820295

> <Analog_Original_SMILES>
CC(Cl)CC(Cl)CC(Cl)CC(Cl)CC(C)Cl

> <Analog_Canonical_QSARr>
CC(Cl)CC(Cl)CC(Cl)CC(Cl)CC(C)Cl

> <Analog_CASRN>
140899-23-6

> <Analog_preferred_name>
2,4,6,8,10-Pentachloroundecane

> <Analog - index>
30|30|2|7

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|1.0|0.9473684210526315

$$$$
DTXSID60872649
  Mrv1813 07271812472D          

 19 18  0  0  0  0            999 V2000
   -6.0733    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3588    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9299    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0720    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6438    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3582    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859    1.3325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID60872649

> <Analog_DSSTox_Structure_Id>
DTXCID30820298

> <Analog_Original_SMILES>
CCCCCCCCCCCC(Cl)CCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCCCCC(Cl)CCCCCC

> <Analog_CASRN>
103385-13-3

> <Analog_preferred_name>
7-Chlorooctadecane

> <Analog - index>
130|130|60|48

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID70152363
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    4.1903    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70152363

> <Analog_DSSTox_Structure_Id>
DTXCID9074854

> <Analog_Original_SMILES>
BrC1C=CC(Br)=C(C2C=CC(Br)=C(Br)C=2Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC(Br)=C(C2C=CC(Br)=C(Br)C=2Br)C=1Br

> <Analog_CASRN>
119264-50-5

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,3',4,6'-hexabromo-

> <Analog - index>
27|24|7|8|12|10|19

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8857142857142857|0.8952380952380953|0.9622641509433962|0.9047619047619048|0.8846153846153846|0.9433962264150944|0.9056603773584906

$$$$
DTXSID70152368
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    4.3574   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70152368

> <Analog_DSSTox_Structure_Id>
DTXCID4074859

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C(Br)=C2Br)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C(Br)=C2Br)=C(Br)C=1

> <Analog_CASRN>
119264-55-0

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4,4',5,6'-heptabromo-

> <Analog - index>
19|16|16|46|13|38|46|53|14

> <OFR_ID>
23|25|29|32|33|37|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3|69278-62-2

> <similarity>
0.8125|0.9381443298969072|0.9285714285714286|0.8679245283018868|0.9|0.8235294117647058|0.8666666666666667|0.8285714285714286|0.8210526315789474

$$$$
DTXSID70153092
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    4.3490    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70153092

> <Analog_DSSTox_Structure_Id>
DTXCID9075583

> <Analog_Original_SMILES>
BrC1C=C(C2C=C(Br)C=CC=2Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C=C(Br)C=CC=2Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
120991-47-1

> <Analog_preferred_name>
1,2,3,4-Tetrabromo-5-(2,5-dibromophenyl)benzene

> <Analog - index>
17|18|0|7|19|1|6

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.9230769230769231|0.9142857142857143|0.9811320754716981|0.9056603773584906|0.8679245283018868|0.9622641509433962|0.9245283018867925

$$$$
DTXSID70166046
  Mrv1813 07271812442D          

 13 12  0  0  0  0            999 V2000
    1.6502   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3647    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7772   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9522    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0805    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70166046

> <Analog_DSSTox_Structure_Id>
DTXCID6088537

> <Analog_Original_SMILES>
ClCCCCCCCCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCCCCCCCCC(Cl)(Cl)Cl

> <Analog_CASRN>
1561-48-4

> <Analog_preferred_name>
Nonane, 1,1,1,9-tetrachloro-

> <Analog - index>
156|156|99|87

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID70179277
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    2.7285    1.5538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7285    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9852    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017   -0.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554   -0.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70179277

> <Analog_DSSTox_Structure_Id>
DTXCID00101768

> <Analog_Original_SMILES>
ClC1CCCCCC1

> <Analog_Canonical_QSARr>
ClC1CCCCCC1

> <Analog_CASRN>
2453-46-5

> <Analog_preferred_name>
Chlorocycloheptane

> <Analog - index>
235|231

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID70193897
  Mrv1813 07271812442D          

  7  6  0  0  0  0            999 V2000
    3.7934   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70193897

> <Analog_DSSTox_Structure_Id>
DTXCID10116388

> <Analog_Original_SMILES>
CC(C)(CO)CBr

> <Analog_Canonical_QSARr>
CC(C)(CO)CBr

> <Analog_CASRN>
40894-00-6

> <Analog_preferred_name>
3-Bromo-2,2-dimethyl-1-propanol

> <Analog - index>
3|1

> <OFR_ID>
101|102

> <OFR_DTXSID>
DTXSID9020164|DTXSID9024641

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL|3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
3296-90-0|1522-92-5

> <similarity>
0.8518518518518519|0.9583333333333334

$$$$
DTXSID70194980
  Mrv1813 07271812442D          

 31 32  0  0  0  0            999 V2000
    4.5078   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 10  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
 22  4  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70194980

> <Analog_DSSTox_Structure_Id>
DTXCID10117471

> <Analog_Original_SMILES>
CC(C)(C1=CC(Br)=C(OC(=O)C(C)=C)C(Br)=C1)C1=CC(Br)=C(OC(=O)C(C)=C)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Br)=C(OC(=O)C(C)=C)C(Br)=C1)C1=CC(Br)=C(OC(=O)C(C)=C)C(Br)=C1

> <Analog_CASRN>
42146-13-4

> <Analog_preferred_name>
(1-Methylethylidene)bis(2,6-dibromo-4,1-phenylene) bismethacrylate

> <Analog - index>
0|0

> <OFR_ID>
85|88

> <OFR_DTXSID>
-|-

> <OFR_PREFERRED_NAME>
2-Propenoic acid, 1,1'-[(1-methylethylidene)bis(2,6-dibromo-4,1-phenylene)] ester|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, dipropanoate (9CI)

> <OFR_CASRN>
-|-

> <similarity>
0.8901734104046243|0.8390804597701149

$$$$
DTXSID7020267
  Mrv1813 07271812442D          

 18 20  0  0  0  0            999 V2000
    4.4018   -1.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9114   -2.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164   -2.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232   -1.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067   -1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -0.8372    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529   -2.5183    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   -2.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   -3.3781    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -1.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478   -2.0415    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5600   -1.3898    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3991   -0.0003    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9223   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1584   -0.1709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2864   -1.7182    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  5 15  1  0  0  0  0
 16  4  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7020267

> <Analog_DSSTox_Structure_Id>
DTXCID0028117

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3CC(Cl)C(Cl)C3C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
57-74-9

> <Analog_preferred_name>
Chlordane

> <Analog - index>
10|10

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.9243697478991597|0.923728813559322

$$$$
DTXSID7020685
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    2.1465   -1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4320   -0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4320    0.0015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031   -0.8235    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031   -2.4735    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4320   -2.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4320   -3.2985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1465   -2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610   -2.4735    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8610   -0.8235    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7020685

> <Analog_DSSTox_Structure_Id>
DTXCID20196535

> <Analog_Original_SMILES>
Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl |&1:1,2,4,6,8,10|

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>
319-85-7

> <Analog_preferred_name>
beta-Hexachlorocyclohexane

> <Analog - index>
230|230

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID7020687
  Mrv1813 07271812442D          

 12 12  0  0  0  0            999 V2000
    3.0761   -0.6015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -1.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472   -0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472    0.2235    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9327   -1.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182   -0.6015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9327   -1.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182   -2.2515    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6472   -2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472   -3.0765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -1.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0761   -2.2515    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7020687

> <Analog_DSSTox_Structure_Id>
DTXCID30687

> <Analog_Original_SMILES>
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_Canonical_QSARr>
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>
608-73-1

> <Analog_preferred_name>
1,2,3,4,5,6-Hexachlorocyclohexane

> <Analog - index>
231|231

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID70211222
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    1.6500    0.0188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70211222

> <Analog_DSSTox_Structure_Id>
DTXCID70133713

> <Analog_Original_SMILES>
CCCCCCCCC(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCCCC(Br)Br

> <Analog_CASRN>
62168-27-8

> <Analog_preferred_name>
1,1-Dibromononane

> <Analog - index>
88|111|111|93|142|140

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70218115
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.1903   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
  4 12  2  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70218115

> <Analog_DSSTox_Structure_Id>
DTXCID90140606

> <Analog_Original_SMILES>
BrC1C(Br)=C(C=CC=1Br)C1=CC(Br)=C(Br)C=C1Br

> <Analog_Canonical_QSARr>
BrC1C(Br)=C(C=CC=1Br)C1=CC(Br)=C(Br)C=C1Br

> <Analog_CASRN>
67888-98-6

> <Analog_preferred_name>
2,2',3,4,4',5-Hexabromobiphenyl

> <Analog - index>
10|0|0|22|21|16|43|16|26|37|11

> <OFR_ID>
23|25|29|32|33|34|37|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.8367346938775511|0.9795918367346939|0.9897959183673469|0.9245283018867925|0.8846153846153846|0.8282828282828283|0.8113207547169812|0.8181818181818182|0.9056603773584906|0.8679245283018868|0.826530612244898

$$$$
DTXSID7022095
  Mrv1813 07271812442D          

  8  7  0  0  0  0            999 V2000
    0.0018   -0.4115    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7163    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308   -0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8597   -0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5742    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2887   -0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7022095

> <Analog_DSSTox_Structure_Id>
DTXCID902095

> <Analog_Original_SMILES>
CCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCBr

> <Analog_CASRN>
629-04-9

> <Analog_preferred_name>
1-Bromoheptane

> <Analog - index>
213|221|221|223|223|218

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID70221023
  Mrv1813 07271812452D          

 23 24  0  0  0  0            999 V2000
    5.9368   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 17  2  0  0  0  0
 18  3  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  2  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70221023

> <Analog_DSSTox_Structure_Id>
DTXCID70143514

> <Analog_Original_SMILES>
O=P(Cl)(OC1C(Br)=CC(Br)=CC=1Br)OC1C(Br)=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
O=P(Cl)(OC1C(Br)=CC(Br)=CC=1Br)OC1C(Br)=CC(Br)=CC=1Br

> <Analog_CASRN>
70757-60-7

> <Analog_preferred_name>
Bis(2,4,6-tribromophenyl) phosphorochloridate

> <Analog - index>
0

> <OFR_ID>
80

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8775510204081632

$$$$
DTXSID70222712
  Mrv1813 07271812452D          

 15 16  0  0  0  0            999 V2000
    4.5078   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70222712

> <Analog_DSSTox_Structure_Id>
DTXCID00145203

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C=C(Br)C=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C=C(Br)C=C(Br)C=1

> <Analog_CASRN>
72416-87-6

> <Analog_preferred_name>
1,1'-Biphenyl, 3,4',5-tribromo-

> <Analog - index>
3|5|55|19

> <OFR_ID>
34|39|43|46

> <OFR_DTXSID>
-|DTXSID4074770|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
-|77102-82-0|115245-07-3|92-66-0

> <similarity>
0.8977272727272727|0.8651685393258427|0.8217821782178217|0.8372093023255814

$$$$
DTXSID70225304
  Mrv1813 07271812452D          

  8  8  0  0  0  0            999 V2000
    4.1507    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70225304

> <Analog_DSSTox_Structure_Id>
DTXCID30147795

> <Analog_Original_SMILES>
Br[C@@H]1CCCC[C@H]1Br

> <Analog_Canonical_QSARr>
BrC1CCCCC1Br

> <Analog_CASRN>
7429-37-0

> <Analog_preferred_name>
trans-1,2-Dibromocyclohexane

> <Analog - index>
7

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9090909090909091

$$$$
DTXSID70231460
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  5 12  1  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70231460

> <Analog_DSSTox_Structure_Id>
DTXCID70153951

> <Analog_Original_SMILES>
BrC1C=C(C=C(Br)C=1Br)C1C=C(Br)C=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(C=C(Br)C=1Br)C1C=C(Br)C=C(Br)C=1

> <Analog_CASRN>
81902-33-2

> <Analog_preferred_name>
1,1'-Biphenyl, 3,3',4,5,5'-pentabromo-

> <Analog - index>
0|0

> <OFR_ID>
28|38

> <OFR_DTXSID>
DTXSID10208772|DTXSID0075108

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
60044-26-0|16400-50-3

> <similarity>
0.9333333333333333|0.92

$$$$
DTXSID70242677
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70242677

> <Analog_DSSTox_Structure_Id>
DTXCID00165168

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1C1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1C1C=CC(Br)=CC=1Br

> <Analog_CASRN>
97038-97-6

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',4,4',6-pentabromo-

> <Analog - index>
54|52|17

> <OFR_ID>
29|33|45

> <OFR_DTXSID>
DTXSID70858838|DTXSID9074771|DTXSID1059072

> <OFR_PREFERRED_NAME>
2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?

> <OFR_CASRN>
59080-40-9|59080-39-6|92-86-4

> <similarity>
0.8080808080808081|0.8367346938775511|0.8192771084337349

$$$$
DTXSID70274251
  Mrv1813 07271812452D          

 17 16  0  0  0  0            999 V2000
   -0.5154   -0.0952    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096   -0.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154    0.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990    1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280    1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135   -0.0952    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154   -0.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990   -1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990   -2.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135   -2.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154   -2.5702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3404   -0.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7529    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3404    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154    1.3338    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70274251

> <Analog_DSSTox_Structure_Id>
DTXCID40225730

> <Analog_Original_SMILES>
CC(CCl)OP(=O)(OCC(C)Cl)OCC(C)Cl

> <Analog_Canonical_QSARr>
CC(CCl)OP(=O)(OCC(C)Cl)OCC(C)Cl

> <Analog_CASRN>
76649-15-5

> <Analog_preferred_name>
(2-Chloro-1-methylethyl) bis(2-chloropropyl) phosphate

> <Analog - index>
2|0

> <OFR_ID>
138|140

> <OFR_DTXSID>
DTXSID7023805|DTXSID3027615

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE|?

> <OFR_CASRN>
78-43-3|6145-73-9

> <similarity>
0.9041095890410958|0.9848484848484849

$$$$
DTXSID70276199
  Mrv1813 07271812452D          

 18 17  0  0  0  0            999 V2000
    5.2221   -1.0771    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.9854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0800   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5090   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2234    0.1604    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.5090   -1.0771    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    0.8749    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6662   -0.5541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70276199

> <Analog_DSSTox_Structure_Id>
DTXCID80227536

> <Analog_Original_SMILES>
CCC(Br)(Br)CCC(Br)CCC(Br)CCC(Br)Br

> <Analog_Canonical_QSARr>
CCC(Br)(Br)CCC(Br)CCC(Br)CCC(Br)Br

> <Analog_CASRN>
2731-63-7

> <Analog_preferred_name>
1,1,4,7,10,10-hexabromododecane

> <Analog - index>
166|32|32|18|18|68

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9|0.9024390243902439|0.9024390243902439|0.925|0.9024390243902439|0.8780487804878049

$$$$
DTXSID70277863
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    3.8409    1.4343    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4729    0.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048    1.4343    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459   -0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459   -1.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314   -1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314   -2.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854    0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70277863

> <Analog_DSSTox_Structure_Id>
DTXCID90229021

> <Analog_Original_SMILES>
CCCCC1CC1(Br)Br

> <Analog_Canonical_QSARr>
CCCCC1CC1(Br)Br

> <Analog_CASRN>
5398-70-9

> <Analog_preferred_name>
1,1-Dibromo-2-butylcyclopropane

> <Analog - index>
214|222|222|224|224|219

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID70277888
  Mrv1813 07271812452D          

 13 12  0  0  0  0            999 V2000
    6.0477    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2227   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9372    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9372    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3977   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70277888

> <Analog_DSSTox_Structure_Id>
DTXCID90229046

> <Analog_Original_SMILES>
CC(Cl)(CCCCC)CCCCC

> <Analog_Canonical_QSARr>
CC(Cl)(CCCCC)CCCCC

> <Analog_CASRN>
51278-51-4

> <Analog_preferred_name>
6-chloro-6-methylundecane

> <Analog - index>
232|232|190|188

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID70285983
  Mrv1813 07271812452D          

 14 14  0  0  0  0            999 V2000
    4.7631    0.5893    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7631   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0486   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9052   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9052    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1920   -0.2357    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  7 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70285983

> <Analog_DSSTox_Structure_Id>
DTXCID60237133

> <Analog_Original_SMILES>
O=C(OCC(Br)CBr)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
O=C(OCC(Br)CBr)C1C=CC=CC=1

> <Analog_CASRN>
6186-90-9

> <Analog_preferred_name>
2,3-dibromopropyl benzoate

> <Analog - index>
1

> <OFR_ID>
53

> <OFR_DTXSID>
DTXSID30864056

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
7415-86-3

> <similarity>
0.8431372549019608

$$$$
DTXSID70300483
  Mrv1813 07271812452D          

 11 12  0  0  0  0            999 V2000
    3.0932    1.2045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0932    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0932   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5221   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5221    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70300483

> <Analog_DSSTox_Structure_Id>
DTXCID20251618

> <Analog_Original_SMILES>
ClC12CCCCC1CCCC2

> <Analog_Canonical_QSARr>
ClC12CCCCC1CCCC2

> <Analog_CASRN>
90976-72-0

> <Analog_preferred_name>
4a-chlorodecahydronaphthalene

> <Analog - index>
188|188|132|120

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID70324927
  Mrv1813 07271812452D          

 14 14  0  0  0  0            999 V2000
    2.5309    0.9374    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0830    0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870    1.5505    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0219    1.4894    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2481    0.3854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6309    0.0943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855   -1.6127    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4955   -0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804   -1.6127    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7504   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350    0.0943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70324927

> <Analog_DSSTox_Structure_Id>
DTXCID80276044

> <Analog_Original_SMILES>
ClC(Cl)(Cl)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl

> <Analog_CASRN>
6928-57-0

> <Analog_preferred_name>
1,2,3,4,5-Pentachloro-5-(trichloromethyl)cyclopenta-1,3-diene

> <Analog - index>
0

> <OFR_ID>
100

> <OFR_DTXSID>
DTXSID2020688

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
77-47-4

> <similarity>
0.9024390243902439

$$$$
DTXSID70330447
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    2.7506   -1.4320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7505   -0.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0151   -0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645    0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356    0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7505    0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6669    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 11  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 10  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  0  0  0  0
  2 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70330447

> <Analog_DSSTox_Structure_Id>
DTXCID30281542

> <Analog_Original_SMILES>
CC12CC3(Br)CC(C1)CC(C3)C2

> <Analog_Canonical_QSARr>
CC12CC3(Br)CC(C1)CC(C3)C2

> <Analog_CASRN>
702-77-2

> <Analog_preferred_name>
1-bromo-3-methyladamantane

> <Analog - index>
89|112|112|94|143|141

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70336580
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    3.7833   -0.4162    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9708   -0.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708   -1.3844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031    0.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176    0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    0.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5465    0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610    0.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584    0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 11  4  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70336580

> <Analog_DSSTox_Structure_Id>
DTXCID70287669

> <Analog_Original_SMILES>
CC1(CCCCC)CC1(Cl)Cl

> <Analog_Canonical_QSARr>
CC1(CCCCC)CC1(Cl)Cl

> <Analog_CASRN>
24551-80-2

> <Analog_preferred_name>
1,1-Dichloro-2-methyl-2-pentylcyclopropane

> <Analog - index>
248|248|215|216

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579|0.868421052631579

$$$$
DTXSID70345556
  Mrv1813 07271812452D          

  9  9  0  0  0  0            999 V2000
    4.1903    0.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -1.7779    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70345556

> <Analog_DSSTox_Structure_Id>
DTXCID60296629

> <Analog_Original_SMILES>
OC1C=CC(F)=CC=1Br

> <Analog_Canonical_QSARr>
OC1C=CC(F)=CC=1Br

> <Analog_CASRN>
496-69-5

> <Analog_preferred_name>
2-Bromo-4-fluorophenol

> <Analog - index>
10

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.828125

$$$$
DTXSID70347838
  Mrv1813 07271812452D          

 14 14  0  0  0  0            999 V2000
    3.6092    1.7103    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0783    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.3967    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.6342    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70347838

> <Analog_DSSTox_Structure_Id>
DTXCID50298910

> <Analog_Original_SMILES>
CC(Br)(CBr)C1CC(Br)C(C)(Br)CC1

> <Analog_Canonical_QSARr>
CC(Br)(CBr)C1CC(Br)C(C)(Br)CC1

> <Analog_CASRN>
4764-54-9

> <Analog_preferred_name>
Cyclohexane, 1,2-dibromo-4-(1,2-dibromo-1-methylethyl)-1-methyl-

> <Analog - index>
192|2|2|165|0|0

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8571428571428571|0.9512195121951219|0.9512195121951219|0.8809523809523809|1.0|0.975

$$$$
DTXSID70348507
  Mrv1813 07271812452D          

 10 11  0  0  0  0            999 V2000
    2.9284   -2.0110    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9284   -1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1979   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284    0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1662    0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1662   -0.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906   -0.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70348507

> <Analog_DSSTox_Structure_Id>
DTXCID60299579

> <Analog_Original_SMILES>
BrC12CC(CCC1)CCC2

> <Analog_Canonical_QSARr>
BrC12CC(CCC1)CCC2

> <Analog_CASRN>
15292-76-9

> <Analog_preferred_name>
bicyclo[3.3.1]nonane, 1-bromo-

> <Analog - index>
90|113|113|95|144|142

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID7037509
  Mrv1813 07271812442D          

 15 14  0  0  0  0            999 V2000
    4.0619   -2.2292    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   -1.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3474   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329   -1.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040   -3.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -3.3561    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5060   -1.9272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7763   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4908   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2053   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744   -2.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0619   -3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2369   -3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7037509

> <Analog_DSSTox_Structure_Id>
DTXCID5017509

> <Analog_Original_SMILES>
CCOP(=O)(OC(Cl)C(Cl)(Cl)Cl)OCC

> <Analog_Canonical_QSARr>
CCOP(=O)(OC(Cl)C(Cl)(Cl)Cl)OCC

> <Analog_CASRN>
NOCAS_37509

> <Analog_preferred_name>
Chlorethoxyfos oxon

> <Analog - index>
20

> <OFR_ID>
108

> <OFR_DTXSID>
DTXSID5021411

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE

> <OFR_CASRN>
115-96-8

> <similarity>
0.8392857142857143

$$$$
DTXSID70390748
  Mrv1813 07271812462D          

 13 15  0  0  0  0            999 V2000
    2.6223   -1.5571    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6223   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363   -0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718    0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074   -0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3579   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050   -0.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6223    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387   -0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 12  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 10  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  4  5  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70390748

> <Analog_DSSTox_Structure_Id>
DTXCID20341609

> <Analog_Original_SMILES>
CC12CC3CC(Cl)(CC(C)(C3)C1)C2

> <Analog_Canonical_QSARr>
CC12CC3CC(Cl)(CC(C)(C3)C1)C2

> <Analog_CASRN>
707-36-8

> <Analog_preferred_name>
1-Chloro-3,5-dimethyladamantane

> <Analog - index>
189|189|133|121

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID70399039
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    7.0088    1.2376    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0088    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5799    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8654    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4378    0.4126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70399039

> <Analog_DSSTox_Structure_Id>
DTXCID30349898

> <Analog_Original_SMILES>
CCCCCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCCCCC(Cl)CCl

> <Analog_CASRN>
34619-32-4

> <Analog_preferred_name>
1,2-dichlorodecane

> <Analog - index>
58|58|100|88

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID70404016
  Mrv1813 07271812462D          

 12 14  0  0  0  0            999 V2000
    2.6727   -1.1096    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6727   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867    0.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    1.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8578    0.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8578    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222   -1.0667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6727    0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 12  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 11  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70404016

> <Analog_DSSTox_Structure_Id>
DTXCID20354870

> <Analog_Original_SMILES>
BrC1C2CC3CC(Br)(CC1C3)C2

> <Analog_Canonical_QSARr>
BrC1C2CC3CC(Br)(CC1C3)C2

> <Analog_CASRN>
39646-72-5

> <Analog_preferred_name>
1,4-dibromoadamantane

> <Analog - index>
167|6|6|171|19|12

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9|0.95|0.95|0.8780487804878049|0.9024390243902439|0.925

$$$$
DTXSID70435406
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    2.6705   -1.7089    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3850   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3850   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4015   -1.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2265    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284    2.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284    3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    2.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70435406

> <Analog_DSSTox_Structure_Id>
DTXCID20386232

> <Analog_Original_SMILES>
COC(=O)CCC(CCBr)C(C)(C)C

> <Analog_Canonical_QSARr>
COC(=O)CCC(CCBr)C(C)(C)C

> <Analog_CASRN>
142722-40-5

> <Analog_preferred_name>
Hexanoic acid, 4-(2-bromoethyl)-5,5-dimethyl-, methyl ester

> <Analog - index>
4

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8918918918918919

$$$$
DTXSID70446936
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70446936

> <Analog_DSSTox_Structure_Id>
DTXCID70397757

> <Analog_Original_SMILES>
CCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
1070-27-5

> <Analog_preferred_name>
1,1,1,3-tetrachlorononane

> <Analog - index>
82|82|21|160

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID70446991
  Mrv1813 07271812462D          

 17 16  0  0  0  0            999 V2000
    1.1037    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8182    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9616    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6761    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8195    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5339    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2484    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9629    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6774    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1063    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8208    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1063   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70446991

> <Analog_DSSTox_Structure_Id>
DTXCID10397812

> <Analog_Original_SMILES>
CC(C)CCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CC(C)CCCCCCCCCCCCCBr

> <Analog_CASRN>
69001-51-0

> <Analog_preferred_name>
Pentadecane, 1-bromo-14-methyl-

> <Analog - index>
91|114|114|96|145|143

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70458559
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    4.5079    1.4437    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.4438    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.0937    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.2687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -2.2687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    3.0937    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    2.2687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    2.2687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70458559

> <Analog_DSSTox_Structure_Id>
DTXCID60409378

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)CCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)CCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
61856-19-7

> <Analog_preferred_name>
1,1,1,3,6,8,8,8-octachlorooctane

> <Analog - index>
157|157

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8536585365853658|0.8536585365853658

$$$$
DTXSID70466098
  Mrv1813 07271812462D          

  8  7  0  0  0  0            999 V2000
    3.5189   -1.3056    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1064   -0.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209   -0.1786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920   -1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1064    0.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    1.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8689    0.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70466098

> <Analog_DSSTox_Structure_Id>
DTXCID70416917

> <Analog_Original_SMILES>
COC(=O)C(C)(F)Br

> <Analog_Canonical_QSARr>
COC(=O)C(C)(F)Br

> <Analog_CASRN>
157415-07-1

> <Analog_preferred_name>
Methyl 2-bromo-2-fluoropropanoate

> <Analog - index>
1

> <OFR_ID>
99

> <OFR_DTXSID>
DTXSID90884159

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-17-0

> <similarity>
0.8809523809523809

$$$$
DTXSID7049348
  Mrv1813 07271812442D          

 10  9  0  0  0  0            999 V2000
   -0.3304   -1.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841   -1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0986   -1.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275   -1.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420   -1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564   -1.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6709   -1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3854   -1.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0999   -1.2223    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7049348

> <Analog_DSSTox_Structure_Id>
DTXCID4029307

> <Analog_Original_SMILES>
CCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCBr

> <Analog_CASRN>
693-58-3

> <Analog_preferred_name>
Nonylbromide

> <Analog - index>
92|115|115|97|146|144

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70495964
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6501    0.3490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70495964

> <Analog_DSSTox_Structure_Id>
DTXCID70446774

> <Analog_Original_SMILES>
CCCCCCCCCCC[13CH2]Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCBr

> <Analog_CASRN>
88170-33-6

> <Analog_preferred_name>
1-Bromo(1-~13~C)dodecane

> <Analog - index>
93|116|116|98|147|145

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70499523
  Mrv1813 07271812462D          

  9 10  0  0  0  0            999 V2000
    3.8208   -0.4484    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0455   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888   -1.5430    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6330   -0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650    0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775    0.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472    1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010    0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2205   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  9  4  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70499523

> <Analog_DSSTox_Structure_Id>
DTXCID90450333

> <Analog_Original_SMILES>
CC1(CC1(Br)Br)C1CC1

> <Analog_Canonical_QSARr>
CC1(CC1(Br)Br)C1CC1

> <Analog_CASRN>
57542-37-7

> <Analog_preferred_name>
2,2-Dibromo-1-methyl-1,1'-bi(cyclopropane)

> <Analog - index>
36

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID70500507
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    3.6505   -0.1787    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216   -1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071   -1.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071   -2.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216   -2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -2.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -1.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    2.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    2.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216    2.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216    1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 10 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70500507

> <Analog_DSSTox_Structure_Id>
DTXCID60451317

> <Analog_Original_SMILES>
BrC(CC1C=CC=CC=1)C1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC(CC1C=CC=CC=1)C1C=CC=CC=1

> <Analog_CASRN>
16766-97-5

> <Analog_preferred_name>
1,1'-(1-Bromoethane-1,2-diyl)dibenzene

> <Analog - index>
13

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.803921568627451

$$$$
DTXSID70501630
  Mrv1813 07271812462D          

 14 15  0  0  0  0            999 V2000
    1.2455   -0.6424    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9599   -0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9599    0.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3889    0.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3889   -0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1033    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8178    0.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5323    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2468    0.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9612    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438    0.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675    0.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70501630

> <Analog_DSSTox_Structure_Id>
DTXCID60452440

> <Analog_Original_SMILES>
CCCCCC12CCC(Br)(CC1)CC2

> <Analog_Canonical_QSARr>
CCCCCC12CCC(Br)(CC1)CC2

> <Analog_CASRN>
73152-68-8

> <Analog_preferred_name>
1-Bromo-4-pentylbicyclo[2.2.2]octane

> <Analog - index>
94|117|117|99|148|146

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70501852
  Mrv1813 07271812462D          

 15 14  0  0  0  0            999 V2000
    1.6501    0.0688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.3063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70501852

> <Analog_DSSTox_Structure_Id>
DTXCID60452662

> <Analog_Original_SMILES>
CCCCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
821-93-2

> <Analog_preferred_name>
1,1-Dichlorotridecane

> <Analog - index>
158|158|101|89

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID70503119
  Mrv1813 07271812462D          

  8  7  0  0  0  0            999 V2000
    4.3293    1.1344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3293    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6148   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9004    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    0.3094    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0438   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7582    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70503119

> <Analog_DSSTox_Structure_Id>
DTXCID30453929

> <Analog_Original_SMILES>
CCC(Br)CCCBr

> <Analog_Canonical_QSARr>
CCC(Br)CCCBr

> <Analog_CASRN>
25118-28-9

> <Analog_preferred_name>
1,4-Dibromohexane

> <Analog - index>
12

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8787878787878788

$$$$
DTXSID70506105
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    1.6497    0.6482    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70506105

> <Analog_DSSTox_Structure_Id>
DTXCID70456914

> <Analog_Original_SMILES>
CCCCCCCCCCC(C)(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(C)(C)Cl

> <Analog_CASRN>
4325-53-5

> <Analog_preferred_name>
2-Chloro-2-methyldodecane

> <Analog - index>
190|190|134|122

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID70513096
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6497    0.0476    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    1.2851    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70513096

> <Analog_DSSTox_Structure_Id>
DTXCID90463903

> <Analog_Original_SMILES>
CCCCCCCCCCC(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Br)Br

> <Analog_CASRN>
62168-28-9

> <Analog_preferred_name>
1,1-Dibromoundecane

> <Analog - index>
95|118|118|100|149|147

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70513495
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    3.0789    1.4437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70513495

> <Analog_DSSTox_Structure_Id>
DTXCID20464302

> <Analog_Original_SMILES>
CC(Br)C1CCCCC1

> <Analog_Canonical_QSARr>
CC(Br)C1CCCCC1

> <Analog_CASRN>
1073-42-3

> <Analog_preferred_name>
(1-Bromoethyl)cyclohexane

> <Analog - index>
178|191|191|183|177|174

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.8717948717948718|0.85|0.8717948717948718

$$$$
DTXSID70515671
  Mrv1813 07271812462D          

  8  9  0  0  0  0            999 V2000
    2.1369    1.1662    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369   -1.1662    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2571   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7420   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70515671

> <Analog_DSSTox_Structure_Id>
DTXCID30466478

> <Analog_Original_SMILES>
BrC12CC1(Br)CCC2

> <Analog_Canonical_QSARr>
BrC12CC1(Br)CCC2

> <Analog_CASRN>
85739-34-0

> <Analog_preferred_name>
1,5-Dibromobicyclo[3.1.0]hexane

> <Analog - index>
3

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9393939393939394

$$$$
DTXSID70526707
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.4365   -2.0213    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4365   -1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4365   -0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    2.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2615   -1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115   -1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70526707

> <Analog_DSSTox_Structure_Id>
DTXCID60477512

> <Analog_Original_SMILES>
CCCCCCC(C)(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCC(C)(C)Cl

> <Analog_CASRN>
928-60-9

> <Analog_preferred_name>
2-Chloro-2-methyloctane

> <Analog - index>
233|233|191|189

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID70528928
  Mrv1813 07271812442D          

  8  9  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70528928

> <Analog_DSSTox_Structure_Id>
DTXCID60479733

> <Analog_Original_SMILES>
[Li+].Br[C-]1C2CCCCC21

> <Analog_Canonical_QSARr>
BrC1C2CCCCC21

> <Analog_CASRN>
57640-05-8

> <Analog_preferred_name>
Lithium 7-bromobicyclo[4.1.0]heptan-7-ide

> <Analog - index>
215|223|223|225|225|220

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID70550643
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6503   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7773   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0805    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70550643

> <Analog_DSSTox_Structure_Id>
DTXCID60501427

> <Analog_Original_SMILES>
CCCCCCCCCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCC(Cl)(Cl)Cl

> <Analog_CASRN>
64554-71-8

> <Analog_preferred_name>
1,1,1-Trichlorodecane

> <Analog - index>
212|212|180|178

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID70560924
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    1.6500    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70560924

> <Analog_DSSTox_Structure_Id>
DTXCID00511702

> <Analog_Original_SMILES>
CCCCCC(C)CBr

> <Analog_Canonical_QSARr>
CCCCCC(C)CBr

> <Analog_CASRN>
72279-59-5

> <Analog_preferred_name>
1-Bromo-2-methylheptane

> <Analog - index>
216|224|224|226|226|221

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID70565075
  Mrv1813 07271812462D          

 12 13  0  0  0  0            999 V2000
    1.3962   -0.5393    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962    0.7247    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6410   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388   -0.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6410    0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0493    1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6327    0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6327   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0493   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70565075

> <Analog_DSSTox_Structure_Id>
DTXCID50515851

> <Analog_Original_SMILES>
C[C@]12CCCCCC[C@H]1C2(Br)Br

> <Analog_Canonical_QSARr>
CC12CCCCCCC1C2(Br)Br

> <Analog_CASRN>
66135-81-7

> <Analog_preferred_name>
(1S,8R)-9,9-Dibromo-1-methylbicyclo[6.1.0]nonane

> <Analog - index>
96|119|119|101|150|148

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70565813
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    5.4605    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  5 10  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70565813

> <Analog_DSSTox_Structure_Id>
DTXCID90516589

> <Analog_Original_SMILES>
BrC1C=C(Br)C=CC=1OC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=CC=1OC1C=CC=CC=1

> <Analog_CASRN>
171977-44-9

> <Analog_preferred_name>
2,4-Dibromo-1-phenoxybenzene

> <Analog - index>
1|42|1|0

> <OFR_ID>
35|36|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.9090909090909091|0.81|0.9204545454545454|0.9310344827586207

$$$$
DTXSID70568445
  Mrv1813 07271812462D          

 14 14  0  0  0  0            999 V2000
   -0.8506   -1.0018    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5796    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70568445

> <Analog_DSSTox_Structure_Id>
DTXCID10519219

> <Analog_Original_SMILES>
CCCCCC1CCC(CCBr)CC1

> <Analog_Canonical_QSARr>
CCCCCC1CCC(CCBr)CC1

> <Analog_CASRN>
71458-14-5

> <Analog_preferred_name>
1-(2-Bromoethyl)-4-pentylcyclohexane

> <Analog - index>
97|120|120|102|151|149

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70570164
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    1.7929   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70570164

> <Analog_DSSTox_Structure_Id>
DTXCID60520936

> <Analog_Original_SMILES>
CCC1CCC(CBr)CC1

> <Analog_Canonical_QSARr>
CCC1CCC(CBr)CC1

> <Analog_CASRN>
81472-31-3

> <Analog_preferred_name>
1-(Bromomethyl)-4-ethylcyclohexane

> <Analog - index>
179|192|192|184|178|175

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.8717948717948718|0.85|0.8717948717948718

$$$$
DTXSID70577698
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.5075   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5075   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70577698

> <Analog_DSSTox_Structure_Id>
DTXCID30528469

> <Analog_Original_SMILES>
CCCC(Br)C(Br)CCC

> <Analog_Canonical_QSARr>
CCCC(Br)C(Br)CCC

> <Analog_CASRN>
61539-75-1

> <Analog_preferred_name>
4,5-Dibromooctane

> <Analog - index>
243

> <OFR_ID>
2

> <OFR_DTXSID>
DTXSID70180181

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-

> <OFR_CASRN>
25495-98-1

> <similarity>
0.8157894736842105

$$$$
DTXSID70583916
  Mrv1813 07271812462D          

  3  2  0  0  0  0            999 V2000
    1.6499    0.1375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70583916

> <Analog_DSSTox_Structure_Id>
DTXCID30534681

> <Analog_Original_SMILES>
C[13CH2]Br

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
92276-91-0

> <Analog_preferred_name>
Bromo(1-~13~C)ethane

> <Analog - index>
14|14

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID70589938
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    1.6501    0.4420    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70589938

> <Analog_DSSTox_Structure_Id>
DTXCID30540702

> <Analog_Original_SMILES>
CCCCCCCC[C@H](C)CCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCC(C)CCCBr

> <Analog_CASRN>
67214-66-8

> <Analog_preferred_name>
(4S)-1-Bromo-4-methyldodecane

> <Analog - index>
98|121|121|103|152|150

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70595216
  Mrv1813 07271812462D          

 32 32  0  0  0  0            999 V2000
    6.2492   -0.3352    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.9637    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6782   -0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6782   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9637   -1.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9637   -2.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492   -2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5347   -4.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5347   -4.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203   -5.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203   -6.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1058   -6.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3926   -1.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3926    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1071   -0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8216    0.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5360   -0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2505    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9650   -0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6795    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3939   -0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1084    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8229   -0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5373    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1071   -1.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3926    0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1071    1.3148    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.6782    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6782    2.1398    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.9637    0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    1.3148    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 14  2  0  0  0  0
 15  3  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  2  0  0  0  0
 27 15  1  0  0  0  0
 27 28  1  0  0  0  0
 29 27  2  0  0  0  0
 29 30  1  0  0  0  0
 31 29  1  0  0  0  0
  2 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70595216

> <Analog_DSSTox_Structure_Id>
DTXCID30545979

> <Analog_Original_SMILES>
CCCCCCCCOC(=O)C1=C(C(Br)=C(Br)C(Br)=C1Br)C(=O)OCCCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCOC(=O)C1=C(C(Br)=C(Br)C(Br)=C1Br)C(=O)OCCCCCCCC

> <Analog_CASRN>
56720-20-8

> <Analog_preferred_name>
Dioctyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate

> <Analog - index>
1

> <OFR_ID>
94

> <OFR_DTXSID>
DTXSID7027887

> <OFR_PREFERRED_NAME>
BIS(2-ETHYLHEXYL) TETRABROMOPHTHALATE

> <OFR_CASRN>
26040-51-7

> <similarity>
0.976878612716763

$$$$
DTXSID70597336
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    5.7420   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7420    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0275    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4565    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1709    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8854    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70597336

> <Analog_DSSTox_Structure_Id>
DTXCID80548096

> <Analog_Original_SMILES>
CCCCCCC(Cl)CCCl

> <Analog_Canonical_QSARr>
CCCCCCC(Cl)CCCl

> <Analog_CASRN>
1854-75-7

> <Analog_preferred_name>
1,3-Dichlorononane

> <Analog - index>
59|59|8|90

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.972972972972973|0.9210526315789473

$$$$
DTXSID70601129
  Mrv1813 07271812462D          

 13 14  0  0  0  0            999 V2000
    1.6500   -0.0898    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -2.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.5602    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70601129

> <Analog_DSSTox_Structure_Id>
DTXCID60551886

> <Analog_Original_SMILES>
BrC1=C(C=CC=C1Br)OCC1CO1

> <Analog_Canonical_QSARr>
BrC1=C(C=CC=C1Br)OCC1CO1

> <Analog_CASRN>
53050-88-7

> <Analog_preferred_name>
2-[(2,3-Dibromophenoxy)methyl]oxirane

> <Analog - index>
4

> <OFR_ID>
148

> <OFR_DTXSID>
DTXSID40864926

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
20217-01-0

> <similarity>
0.8141025641025641

$$$$
DTXSID70604019
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    5.2626   -1.7684    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2626   -0.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482   -0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337   -0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    1.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607    0.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    0.8980    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -1.2454    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70604019

> <Analog_DSSTox_Structure_Id>
DTXCID60554776

> <Analog_Original_SMILES>
C=CC(=O)OCC(CBr)(CBr)CBr

> <Analog_Canonical_QSARr>
C=CC(=O)OCC(CBr)(CBr)CBr

> <Analog_CASRN>
3217-37-6

> <Analog_preferred_name>
3-Bromo-2,2-bis(bromomethyl)propyl prop-2-enoate

> <Analog - index>
1

> <OFR_ID>
114

> <OFR_DTXSID>
DTXSID7024950

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
19660-16-3

> <similarity>
0.810126582278481

$$$$
DTXSID70607424
  Mrv1813 07271812462D          

 27 28  0  0  0  0            999 V2000
    4.5078   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -4.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  6 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
 20  4  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  2  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70607424

> <Analog_DSSTox_Structure_Id>
DTXCID90558181

> <Analog_Original_SMILES>
CC(C)(C1=CC(Br)=C(OCCBr)C(Br)=C1)C1=CC(Br)=C(OCCBr)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C)(C1=CC(Br)=C(OCCBr)C(Br)=C1)C1=CC(Br)=C(OCCBr)C(Br)=C1

> <Analog_CASRN>
35112-44-8

> <Analog_preferred_name>
1,1'-(Propane-2,2-diyl)bis[3,5-dibromo-4-(2-bromoethoxy)benzene]

> <Analog - index>
3|2|3

> <OFR_ID>
83|86|89

> <OFR_DTXSID>
DTXSID4038922|DTXSID2029327|DTXSID3032129

> <OFR_PREFERRED_NAME>
ETHANOL, 2,2'-((1-METHYLETHYLIDENE)BIS((2,6-DIBROMO-4,1-PHENYLENE)OXY))BIS-|BENZENE, 1,1'-(1-METHYLETHYLIDENE)BIS[3,5-DIBROMO-4-(2-PROPENYLOXY)-|2,2',3,3'-TETRABROMOBISPHENOL A

> <OFR_CASRN>
4162-45-2|25327-89-3|21850-44-2

> <similarity>
0.8424242424242424|0.8333333333333334|0.8764705882352941

$$$$
DTXSID70608355
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70608355

> <Analog_DSSTox_Structure_Id>
DTXCID30559112

> <Analog_Original_SMILES>
CCCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
62017-17-8

> <Analog_preferred_name>
1,1-Dichlorododecane

> <Analog - index>
159|159|102|91

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID70608855
  Mrv1813 07271812462D          

 14 14  0  0  0  0            999 V2000
    5.3244    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6100    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    1.8563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1810   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8955   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955   -1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6100   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3244   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
  2 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70608855

> <Analog_DSSTox_Structure_Id>
DTXCID30559612

> <Analog_Original_SMILES>
ClCC1=C(CCl)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
ClCC1=C(CCl)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
62785-15-3

> <Analog_preferred_name>
1,2,3,4-Tetrabromo-5,6-bis(chloromethyl)benzene

> <Analog - index>
0

> <OFR_ID>
121

> <OFR_DTXSID>
DTXSID70728087

> <OFR_PREFERRED_NAME>
Benzene, 1,2,3,4,5-pentabromo-6-(chloromethyl)-

> <OFR_CASRN>
58495-09-3

> <similarity>
0.859375

$$$$
DTXSID7060910
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7060910

> <Analog_DSSTox_Structure_Id>
DTXCID1044015

> <Analog_Original_SMILES>
BrC1C=C(Br)C(Br)=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(Br)=CC=1Br

> <Analog_CASRN>
636-28-2

> <Analog_preferred_name>
1,2,4,5-Tetrabromobenzene

> <Analog - index>
2

> <OFR_ID>
116

> <OFR_DTXSID>
DTXSID90209646

> <OFR_PREFERRED_NAME>
1,2,3,4,5-pentabromobenzene

> <OFR_CASRN>
608-90-2

> <similarity>
0.9354838709677419

$$$$
DTXSID70611889
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    4.6178   -1.4438    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9034   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    1.4437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4744    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744    2.2687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7599    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889   -2.2688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70611889

> <Analog_DSSTox_Structure_Id>
DTXCID10562644

> <Analog_Original_SMILES>
CC(Br)C(Br)C1CC(Br)C(Br)CC1

> <Analog_Canonical_QSARr>
CC(Br)C(Br)C1CC(Br)C(Br)CC1

> <Analog_CASRN>
114560-08-6

> <Analog_preferred_name>
1,2-Dibromo-4-(1,2-dibromopropyl)cyclohexane

> <Analog - index>
182|0|0|123|1|1

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8809523809523809|0.975609756097561|0.975609756097561|0.9047619047619048|0.975609756097561|0.9512195121951219

$$$$
DTXSID70619103
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    4.5951    0.9295    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495    1.4868    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4873    0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040    0.9295    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1716   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4873   -1.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117   -1.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524   -0.4161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70619103

> <Analog_DSSTox_Structure_Id>
DTXCID30569857

> <Analog_Original_SMILES>
BrC1CCCCC(Br)C(Br)C1Br

> <Analog_Canonical_QSARr>
BrC1CCCCC(Br)C(Br)C1Br

> <Analog_CASRN>
3233-97-4

> <Analog_preferred_name>
1,2,3,4-Tetrabromocyclooctane

> <Analog - index>
161|26|26|166|3|7

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9024390243902439|0.9047619047619048|0.9047619047619048|0.8809523809523809|0.9512195121951219|0.926829268292683

$$$$
DTXSID70621544
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70621544

> <Analog_DSSTox_Structure_Id>
DTXCID60572298

> <Analog_Original_SMILES>
CC(Cl)CCCCCCCl

> <Analog_Canonical_QSARr>
CC(Cl)CCCCCCCl

> <Analog_CASRN>
56375-95-2

> <Analog_preferred_name>
1,7-Dichlorooctane

> <Analog - index>
131|131|61|49

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID70622511
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    6.0081   -1.9346    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2936   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2936   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647    1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    3.0154    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4358    1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7213    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4358    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7213    0.5404    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2936    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502   -1.9346    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  6 14  1  0  0  0  0
  5 15  1  0  0  0  0
 16  4  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70622511

> <Analog_DSSTox_Structure_Id>
DTXCID60573265

> <Analog_Original_SMILES>
CC(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1

> <Analog_Canonical_QSARr>
CC(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1

> <Analog_CASRN>
126369-25-3

> <Analog_preferred_name>
4,4'-(Ethane-1,1-diyl)bis(2,6-dibromophenol)

> <Analog - index>
0

> <OFR_ID>
60

> <OFR_DTXSID>
DTXSID1026081

> <OFR_PREFERRED_NAME>
4,4'-ISOPROPYLIDENEBIS(2,6-DIBROMOPHENOL)

> <OFR_CASRN>
79-94-7

> <similarity>
0.9043478260869565

$$$$
DTXSID70633622
  Mrv1813 07271812472D          

 27 29  0  0  0  0            999 V2000
    6.5751   -0.9200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8606   -1.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462   -0.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317    0.3175    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172    0.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172    1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462    1.5550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4317    2.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172    3.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172    4.0300    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    2.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   -0.3969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942   -0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9567    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5442   -0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9567   -1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817   -1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    1.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317   -1.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317   -2.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462   -2.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462   -3.3950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8606   -2.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
  7 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 16 21  1  0  0  0  0
  5 22  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 25  2  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70633622

> <Analog_DSSTox_Structure_Id>
DTXCID40584374

> <Analog_Original_SMILES>
O=P(OC1C=CC=CC=1)(OC1C=CC(Br)=CC=1Br)OC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
O=P(OC1C=CC=CC=1)(OC1C=CC(Br)=CC=1Br)OC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
113289-82-0

> <Analog_preferred_name>
Bis(2,4-dibromophenyl) phenyl phosphate

> <Analog - index>
1|0

> <OFR_ID>
80|81

> <OFR_DTXSID>
-|DTXSID9052711

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
-|49690-63-3

> <similarity>
0.8431372549019608|0.8333333333333334

$$$$
DTXSID7063390
  Mrv1813 07271812442D          

 21 20  0  0  0  0            999 V2000
   17.5665    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8521    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1376    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4231    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7087    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9942    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2797    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5652    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8508    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1363    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4218    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2810    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9955    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7100    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4244    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1389    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8534    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5678    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2823    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9968    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7113    6.8422    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7063390

> <Analog_DSSTox_Structure_Id>
DTXCID7040156

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
4276-49-7

> <Analog_preferred_name>
Eicosane, 1-bromo-

> <Analog - index>
99|122|122|104|153|151

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70675901
  Mrv1813 07271812472D          

 32 38  0  0  0  0            999 V2000
    4.3999   -2.0638    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3160   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0244   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7122   -0.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3224   -0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8591    0.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3768    0.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0452   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6317   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5394   -1.9504    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1522   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2604   -0.8042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8570    0.5679    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2950    0.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8598    1.1282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7834   -0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6480   -0.1496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4517   -0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9865   -1.6587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3608    0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647    0.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844    1.2785    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9388   -0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4045    0.4907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7426   -1.0495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3544   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5252    0.1309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5301   -0.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8807   -1.5013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3350   -0.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 10  1  0  0  0  0
 19 20  1  0  0  0  0
 21  6  1  0  0  0  0
 21 22  1  0  0  0  0
 22  3  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25  2  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 30 28  2  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 21  1  0  0  0  0
  4 32  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70675901

> <Analog_DSSTox_Structure_Id>
DTXCID70626650

> <Analog_Original_SMILES>
ClC12C3CC4C(C3C(Cl)(C(Cl)=C1Cl)C2(Cl)Cl)C1CC4C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
ClC12C3CC4C(C3C(Cl)(C(Cl)=C1Cl)C2(Cl)Cl)C1CC4C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_CASRN>
13560-90-2

> <Analog_preferred_name>
4,5,6,7,13,14,15,16,19,19,20,20-Dodecachloroheptacyclo[9.6.1.1~4,7~.1~13,16~.0~2,10~.0~3,8~.0~12,17~]icosa-5,14-diene (non-preferred name)

> <Analog - index>
3|2|2

> <OFR_ID>
48|71|77

> <OFR_DTXSID>
DTXSID80866227|-|DTXSID7027750

> <OFR_PREFERRED_NAME>
Hexachlorocyclopentadienyl-dibromocyclooctane|1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
51936-55-1|-|13560-89-9

> <similarity>
0.84251968503937|0.9819819819819819|1.0

$$$$
DTXSID70697784
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    3.7929   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7929   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9363    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5087   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9515    0.5082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7765   -0.9207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70697784

> <Analog_DSSTox_Structure_Id>
DTXCID90820294

> <Analog_Original_SMILES>
ClCC(Cl)CCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCC(Cl)CCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
601523-28-8

> <Analog_preferred_name>
1,1,1,3,10,11-Hexachloroundecane

> <Analog - index>
43|43|81|203

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9230769230769231|0.875

$$$$
DTXSID70697805
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
   10.9375    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9375    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3638    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.6520   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3664    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70697805

> <Analog_DSSTox_Structure_Id>
DTXCID70648554

> <Analog_Original_SMILES>
ClC(CCCCCCCCCCC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(CCCCCCCCCCC(Cl)CCl)CCl

> <Analog_CASRN>
221155-23-3

> <Analog_preferred_name>
1,2,13,14-Tetrachlorotetradecane

> <Analog - index>
60|60|103|92

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID70697825
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    7.3658    1.0947    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0947    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0803   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    0.2697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70697825

> <Analog_DSSTox_Structure_Id>
DTXCID70648574

> <Analog_Original_SMILES>
ClC(CCCCCC(Cl)CCl)CCl

> <Analog_Canonical_QSARr>
ClC(CCCCCC(Cl)CCl)CCl

> <Analog_CASRN>
865306-20-3

> <Analog_preferred_name>
1,2,8,9-Tetrachlorononane

> <Analog - index>
31|31|22|8

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|0.9473684210526315|0.9473684210526315

$$$$
DTXSID70710523
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    4.5542    0.3260    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7695    0.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    1.3810    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3260    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6896   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047   -1.3810    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5146   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995   -1.3810    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70710523

> <Analog_DSSTox_Structure_Id>
DTXCID00661271

> <Analog_Original_SMILES>
BrC1C(Br)C(Br)C(Br)C1Br

> <Analog_Canonical_QSARr>
BrC1C(Br)C(Br)C(Br)C1Br

> <Analog_CASRN>
38454-64-7

> <Analog_preferred_name>
1,2,3,4,5-Pentabromocyclopentane

> <Analog - index>
49

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8181818181818182

$$$$
DTXSID70712244
  Mrv1813 07271812362D          

 14 13  0  0  0  0            999 V2000
    1.6500    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70712244

> <Analog_DSSTox_Structure_Id>
DTXCID50662990

> <Analog_Original_SMILES>
N#CC=CP(=O)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
N#CC=CP(=O)(OCCCl)OCCCl

> <Analog_CASRN>
61256-79-9

> <Analog_preferred_name>
Bis(2-chloroethyl) (2-cyanoethenyl)phosphonate

> <Analog - index>
1

> <OFR_ID>
105

> <OFR_DTXSID>
DTXSID9051589

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
115-98-0

> <similarity>
0.8333333333333334

$$$$
DTXSID7073486
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    1.2248    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393    3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  3  8  1  0  0  0  0
  9  1  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
  1 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7073486

> <Analog_DSSTox_Structure_Id>
DTXCID0039196

> <Analog_Original_SMILES>
BrC1C=CC=CC=1OC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC=CC=1OC1C=CC=CC=1

> <Analog_CASRN>
36563-47-0

> <Analog_preferred_name>
Benzene, bromophenoxy-

> <Analog - index>
11|10|9

> <OFR_ID>
35|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|5436-43-1|41318-75-6

> <similarity>
0.8409090909090909|0.8522727272727273|0.8620689655172413

$$$$
DTXSID70745799
  Mrv1813 07271812472D          

  7  6  0  0  0  0            999 V2000
    1.6500    0.2946    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70745799

> <Analog_DSSTox_Structure_Id>
DTXCID00696543

> <Analog_Original_SMILES>
CCCCC[13CH2]Br

> <Analog_Canonical_QSARr>
CCCCCCBr

> <Analog_CASRN>
53358-72-8

> <Analog_preferred_name>
1-Bromo(1-~13~C)hexane

> <Analog - index>
37

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID7074749
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    0.6804   -2.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -1.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6804   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6804   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -0.0589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340    0.7661    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7485   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -0.0589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7485   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -1.7089    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340   -1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340   -2.5339    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1094   -2.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -2.5339    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1094   -3.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -4.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -5.0089    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6804   -3.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340   -4.1839    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  2  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID7074749

> <Analog_DSSTox_Structure_Id>
DTXCID6038742

> <Analog_Original_SMILES>
BrC1C=C(OC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)C(Br)=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(OC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)C(Br)=CC=1Br

> <Analog_CASRN>
337513-72-1

> <Analog_preferred_name>
Benzene, 1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)-

> <Analog - index>
5|10|2|1|9|18

> <OFR_ID>
24|26|27|30|31|36

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8666666666666667|0.9354838709677419|0.967032967032967|0.967032967032967|0.9247311827956989|0.90625

$$$$
DTXSID70754200
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
   -2.8579    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70754200

> <Analog_DSSTox_Structure_Id>
DTXCID90704944

> <Analog_Original_SMILES>
[Zn].[CH2-]CCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCl

> <Analog_CASRN>
89523-64-8

> <Analog_preferred_name>
PUBCHEM_71324769

> <Analog - index>
191|191|135|123

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID70763150
  Mrv1813 07271812472D          

 18 18  0  0  0  0            999 V2000
    3.3001   -0.1954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    2.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054    2.9116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    2.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    1.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -2.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185   -3.0829    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4915   -3.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165   -1.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70763150

> <Analog_DSSTox_Structure_Id>
DTXCID30713893

> <Analog_Original_SMILES>
CC(C)(Cl)CCCC(C)(Cl)C1CCC(C)(Cl)CC1

> <Analog_Canonical_QSARr>
CC(C)(Cl)CCCC(C)(Cl)C1CCC(C)(Cl)CC1

> <Analog_CASRN>
110160-83-3

> <Analog_preferred_name>
1-Chloro-4-(2,6-dichloro-6-methylheptan-2-yl)-1-methylcyclohexane

> <Analog - index>
192|192|136|124

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID70763413
  Mrv1813 07271812432D          

 38 38  0  0  0  0            999 V2000
    9.2049    1.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4479    1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3532    0.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337    0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1766    0.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5142    0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571    0.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0947    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376    0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6752    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9181    0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2557    1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1638    1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834    1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3404    1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0029    1.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7599    1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224    1.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1794    1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8419    2.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5990    1.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088    1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9464    2.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1893    1.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0410    2.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0283    1.4094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5015   -0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7444   -1.0493    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1639   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693   -2.0327    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9210   -0.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5835   -1.3771    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.0157   -0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7727    0.2620    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.7854    1.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5 29  2  0  0  0  0
 30  4  1  0  0  0  0
 30 31  1  0  0  0  0
 32 30  2  0  0  0  0
 32 33  1  0  0  0  0
 34 32  1  0  0  0  0
 34 35  1  0  0  0  0
 36 34  2  0  0  0  0
  3 36  1  0  0  0  0
 36 37  1  0  0  0  0
  2 38  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70763413

> <Analog_DSSTox_Structure_Id>
DTXCID60714156

> <Analog_Original_SMILES>
CC(O)CC(CCCCCCCCCCCCCCCCC)OC(=O)C1=C(C([O-])=O)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
CC(O)CC(CCCCCCCCCCCCCCCCC)OC(=O)C1=C(C(O)=O)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
111043-73-3

> <Analog_preferred_name>
2,3,4,5-Tetrabromo-6-{[(2-hydroxyhenicosan-4-yl)oxy]carbonyl}benzoate

> <Analog - index>
3

> <OFR_ID>
94

> <OFR_DTXSID>
DTXSID7027887

> <OFR_PREFERRED_NAME>
BIS(2-ETHYLHEXYL) TETRABROMOPHTHALATE

> <OFR_CASRN>
26040-51-7

> <similarity>
0.8137254901960784

$$$$
DTXSID70764329
  Mrv1813 07271812472D          

 34 33  0  0  0  0            999 V2000
   21.6545   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   21.6545   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9400    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2255   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5111    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7966   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0821    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3676   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6532    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9387   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2242    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5098   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0808   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3664    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9374    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0795    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6506    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9361   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7927    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3689    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0834   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7979    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3689    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70764329

> <Analog_DSSTox_Structure_Id>
DTXCID10715072

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(Br)C(=O)OC

> <Analog_CASRN>
112523-49-6

> <Analog_preferred_name>
Methyl 2-bromotriacontanoate

> <Analog - index>
19

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8235294117647058

$$$$
DTXSID70782245
  Mrv1813 07271812432D          

 14 13  0  0  0  0            999 V2000
    7.3652    1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -0.2063    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.5073    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3639   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1   5   1
M  END
> <Analog_dsstox_substance_id>
DTXSID70782245

> <Analog_DSSTox_Structure_Id>
DTXCID30732988

> <Analog_Original_SMILES>
O=[P+](OCC(Br)CBr)OCC(Br)CBr

> <Analog_Canonical_QSARr>
O=[P+](OCC(Br)CBr)OCC(Br)CBr

> <Analog_CASRN>
21661-76-7

> <Analog_preferred_name>
Bis(2,3-dibromopropoxy)(oxo)phosphanium

> <Analog - index>
0|0

> <OFR_ID>
104|136

> <OFR_DTXSID>
DTXSID70275889|DTXSID5021413

> <OFR_PREFERRED_NAME>
?|TRIS(2,3-DIBROMOPROPYL) PHOSPHATE

> <OFR_CASRN>
66389-38-6|126-72-7

> <similarity>
0.9125|1.0

$$$$
DTXSID70783833
  Mrv1813 07271812472D          

  8  8  0  0  0  0            999 V2000
    4.6258   -1.5671    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9113   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70783833

> <Analog_DSSTox_Structure_Id>
DTXCID60734576

> <Analog_Original_SMILES>
CCCC[C@@H]1C[C@H]1Br

> <Analog_Canonical_QSARr>
CCCCC1CC1Br

> <Analog_CASRN>
32816-30-1

> <Analog_preferred_name>
(1R,2R)-1-Bromo-2-butylcyclopropane

> <Analog - index>
217|225|225|227|227|222

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID70785211
  Mrv1813 07271812472D          

 14 14  0  0  0  0            999 V2000
   -1.0039   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1395   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2829   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9974   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7119   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4263   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1408   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1408    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4263    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7119    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70785211

> <Analog_DSSTox_Structure_Id>
DTXCID30735954

> <Analog_Original_SMILES>
BrCCCCCCCC1CCCCC1

> <Analog_Canonical_QSARr>
BrCCCCCCCC1CCCCC1

> <Analog_CASRN>
479546-92-4

> <Analog_preferred_name>
(7-Bromoheptyl)cyclohexane

> <Analog - index>
100|123|123|105|154|152

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID70785695
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    5.9369   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  6 12  1  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70785695

> <Analog_DSSTox_Structure_Id>
DTXCID00736438

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)OC1C=C(Br)C=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)OC1C=C(Br)C=C(Br)C=1

> <Analog_CASRN>
407606-57-9

> <Analog_preferred_name>
1,3-Dibromo-5-(4-bromophenoxy)benzene

> <Analog - index>
38|33

> <OFR_ID>
26|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|60348-60-9

> <similarity>
0.8163265306122449|0.8282828282828283

$$$$
DTXSID70787619
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    3.9066   -3.0667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -2.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066   -1.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -0.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066   -0.2088    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191    0.5056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066    1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191    1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066    2.6490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210   -0.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3355   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -0.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -1.4463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7645   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1921    0.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -2.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  5 16  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70787619

> <Analog_DSSTox_Structure_Id>
DTXCID10738362

> <Analog_Original_SMILES>
CC(Cl)COP(=O)(OCC(C)Br)OCC(C)Br

> <Analog_Canonical_QSARr>
CC(Cl)COP(=O)(OCC(C)Br)OCC(C)Br

> <Analog_CASRN>
55525-32-1

> <Analog_preferred_name>
Bis(2-bromopropyl) 2-chloropropyl phosphate

> <Analog - index>
10

> <OFR_ID>
140

> <OFR_DTXSID>
DTXSID3027615

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6145-73-9

> <similarity>
0.8205128205128205

$$$$
DTXSID70788025
  Mrv1813 07271812472D          

 14 15  0  0  0  0            999 V2000
    2.2546    0.0127    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0725   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8347    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -0.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8347   -1.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969   -1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9126   -0.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725   -1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568   -0.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9648    0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193    1.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5117    2.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2026    1.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70788025

> <Analog_DSSTox_Structure_Id>
DTXCID30738768

> <Analog_Original_SMILES>
COC(=O)C1(Br)CCC2CC1CCC2

> <Analog_Canonical_QSARr>
COC(=O)C1(Br)CCC2CC1CCC2

> <Analog_CASRN>
54674-63-4

> <Analog_preferred_name>
Methyl 2-bromobicyclo[3.3.1]nonane-2-carboxylate

> <Analog - index>
27

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8

$$$$
DTXSID70791892
  Mrv1813 07271812472D          

 30 31  0  0  0  0            999 V2000
    3.2216    1.8150    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2216    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5071    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0782    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3637    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3507    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0652    0.9900    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3507   -0.2475    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5071   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927   -0.6600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2216   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505   -0.6600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505   -1.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3650   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0795   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7940   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084   -0.6600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7940    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2229    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9374    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6518    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3663    0.9900    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.6518   -0.2475    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0795    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0795    1.8150    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3650    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 20  1  0  0  0  0
 27 28  1  0  0  0  0
 29 27  2  0  0  0  0
 16 29  1  0  0  0  0
 30 13  2  0  0  0  0
  2 30  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70791892

> <Analog_DSSTox_Structure_Id>
DTXCID00742635

> <Analog_Original_SMILES>
O=S(C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1

> <Analog_Canonical_QSARr>
O=S(C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1)C1=CC(Br)=C(OCCC(Br)Br)C(Br)=C1

> <Analog_CASRN>
66989-30-8

> <Analog_preferred_name>
1,1'-Sulfinylbis[3,5-dibromo-4-(3,3-dibromopropoxy)benzene]

> <Analog - index>
1

> <OFR_ID>
78

> <OFR_DTXSID>
DTXSID5044942

> <OFR_PREFERRED_NAME>
1,1'-SULFONYLBIS[3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)BENZENE]

> <OFR_CASRN>
42757-55-1

> <similarity>
0.9464285714285714

$$$$
DTXSID70797733
  Mrv1813 07271812472D          

 14 13  0  0  0  0            999 V2000
    5.9369    1.2670    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70797733

> <Analog_DSSTox_Structure_Id>
DTXCID60748476

> <Analog_Original_SMILES>
CCCCCCC(Cl)CCCCCC

> <Analog_Canonical_QSARr>
CCCCCCC(Cl)CCCCCC

> <Analog_CASRN>
66802-90-2

> <Analog_preferred_name>
7-Chlorotridecane

> <Analog - index>
132|132|62|50

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID70807321
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    2.6285   -2.7789    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3430   -2.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3430   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6285   -1.1289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574   -1.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574   -0.3039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574    0.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824   -0.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2949    0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1199    0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2324   -0.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70807321

> <Analog_DSSTox_Structure_Id>
DTXCID50758064

> <Analog_Original_SMILES>
CCOP(=O)(OC(F)CCl)OCC

> <Analog_Canonical_QSARr>
CCOP(=O)(OC(F)CCl)OCC

> <Analog_CASRN>
62576-30-1

> <Analog_preferred_name>
2-Chloro-1-fluoroethyl diethyl phosphate

> <Analog - index>
10|14|14

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.9038461538461539|0.8245614035087719|0.8392857142857143

$$$$
DTXSID70810517
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    5.2131   -3.0466    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2131   -2.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381   -2.2216    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3881   -2.2216    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2131   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986   -0.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986   -0.1591    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986    0.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696    2.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3236   -0.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5611    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736   -0.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70810517

> <Analog_DSSTox_Structure_Id>
DTXCID00761260

> <Analog_Original_SMILES>
CCCOP(=O)(OCC)OCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCOP(=O)(OCC)OCC(Cl)(Cl)Cl

> <Analog_CASRN>
62239-71-8

> <Analog_preferred_name>
Ethyl propyl 2,2,2-trichloroethyl phosphate

> <Analog - index>
10|3

> <OFR_ID>
138|140

> <OFR_DTXSID>
DTXSID7023805|DTXSID3027615

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE|?

> <OFR_CASRN>
78-43-3|6145-73-9

> <similarity>
0.8378378378378378|0.9393939393939394

$$$$
DTXSID70819722
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    3.4070   -4.0591    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -3.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215   -2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360   -1.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360   -0.7591    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    0.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5504    0.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5504    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2649    1.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2649    2.5409    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -0.7591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8985   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3110   -0.7591    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0110   -0.7591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70819722

> <Analog_DSSTox_Structure_Id>
DTXCID10770464

> <Analog_Original_SMILES>
O=P(OCCCCl)(OCCBr)OCCCBr

> <Analog_Canonical_QSARr>
O=P(OCCCCl)(OCCBr)OCCCBr

> <Analog_CASRN>
61205-38-7

> <Analog_preferred_name>
2-Bromoethyl 3-bromopropyl 3-chloropropyl phosphate

> <Analog - index>
2

> <OFR_ID>
136

> <OFR_DTXSID>
DTXSID5021413

> <OFR_PREFERRED_NAME>
TRIS(2,3-DIBROMOPROPYL) PHOSPHATE

> <OFR_CASRN>
126-72-7

> <similarity>
0.8452380952380952

$$$$
DTXSID70839763
  Mrv1813 07271812472D          

 17 17  0  0  0  0            999 V2000
    4.1119    1.2956    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8298    0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6422    0.3771    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1153    0.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    1.5648    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5850    1.5648    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1187    1.2956    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    0.3771    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4008   -0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6864   -0.7172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1153   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850   -1.3491    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6456   -1.3491    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8298   -0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2670   -1.0043    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6543   -0.3334    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  7  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 12  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70839763

> <Analog_DSSTox_Structure_Id>
DTXCID50790505

> <Analog_Original_SMILES>
ClC1C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C1(Br)Br

> <Analog_Canonical_QSARr>
ClC1C(Br)(Br)C(Br)(Br)C(Br)(Br)C(Br)(Br)C1(Br)Br

> <Analog_CASRN>
82000-88-2

> <Analog_preferred_name>
1,1,2,2,3,3,4,4,5,5-Decabromo-6-chlorocyclohexane

> <Analog - index>
12

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8181818181818182

$$$$
DTXSID70856814
  Mrv1813 07271812472D          

 26 30  0  0  0  0            999 V2000
    3.7929   -0.6950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364    1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508   -0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0798   -0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942   -1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0798   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653   -1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0798    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    2.6050    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495    1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  7  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
  9 18  1  0  0  0  0
 19  4  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70856814

> <Analog_DSSTox_Structure_Id>
DTXCID40807555

> <Analog_Original_SMILES>
BrC1C2=CC=CC=C2C(Br)=C2C=C(C=CC=12)C1=CC2=CC=CC=C2C=C1

> <Analog_Canonical_QSARr>
BrC1C2=CC=CC=C2C(Br)=C2C=C(C=CC=12)C1=CC2=CC=CC=C2C=C1

> <Analog_CASRN>
1206628-35-4

> <Analog_preferred_name>
9,10-Dibromo-2-(naphthalen-2-yl)anthracene

> <Analog - index>
37

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8021978021978022

$$$$
DTXSID70861948
  Mrv1813 07271812472D          

 11 12  0  0  0  0            999 V2000
    0.6255    0.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0617    0.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4938   -0.5427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0617   -0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513   -1.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70861948

> <Analog_DSSTox_Structure_Id>
DTXCID90810796

> <Analog_Original_SMILES>
CC1(C)C2CC(Cl)C1(C)CC2

> <Analog_Canonical_QSARr>
CC1(C)C2CC(Cl)C1(C)CC2

> <Analog_CASRN>
NOCAS_861948

> <Analog_preferred_name>
CERAPP_27385

> <Analog - index>
193|193|137|125

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID70865547
  Mrv1813 07271812472D          

 12 12  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70865547

> <Analog_DSSTox_Structure_Id>
DTXCID90813944

> <Analog_Original_SMILES>
ClC1C(Br)C(Br)C(Br)C(Br)C1Cl

> <Analog_Canonical_QSARr>
ClC1C(Br)C(Br)C(Br)C(Br)C1Cl

> <Analog_CASRN>
NOCAS_865547

> <Analog_preferred_name>
CERAPP_38886

> <Analog - index>
0

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.9565217391304348

$$$$
DTXSID70870676
  Mrv1813 07271812472D          

  9  9  0  0  0  0            999 V2000
    1.8259    1.4208    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969    2.2458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259   -0.2292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70870676

> <Analog_DSSTox_Structure_Id>
DTXCID70818376

> <Analog_Original_SMILES>
BrC1C=CC=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=CC=C(Br)C=1Br

> <Analog_CASRN>
NOCAS_870676

> <Analog_preferred_name>
CERAPP_54294

> <Analog - index>
4

> <OFR_ID>
116

> <OFR_DTXSID>
DTXSID90209646

> <OFR_PREFERRED_NAME>
1,2,3,4,5-pentabromobenzene

> <OFR_CASRN>
608-90-2

> <similarity>
0.8529411764705882

$$$$
DTXSID70870732
  Mrv1813 07271812472D          

  9  8  0  0  0  0            999 V2000
    1.0461    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330    0.6040    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70870732

> <Analog_DSSTox_Structure_Id>
DTXCID80818428

> <Analog_Original_SMILES>
CCCCCCC(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCC(C)Cl

> <Analog_CASRN>
NOCAS_870732

> <Analog_preferred_name>
CERAPP_54864

> <Analog - index>
194|194|138|126

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID70872630
  Mrv1813 07271812472D          

 19 18  0  0  0  0            999 V2000
   -6.0738    0.0989    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3593    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6448    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9303    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5014    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7854    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4999    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2144    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6433    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3593    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70872630

> <Analog_DSSTox_Structure_Id>
DTXCID00820280

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCC(C)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCC(C)Cl

> <Analog_CASRN>
71662-61-8

> <Analog_preferred_name>
2-Chlorooctadecane

> <Analog - index>
133|133|63|51

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID70872635
  Mrv1813 07271812472D          

 21 20  0  0  0  0            999 V2000
   -4.0614    1.1491    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4904    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2049    0.7366    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9029   -0.3903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0779    1.0386    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3470   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6325    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3688   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5122    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2267   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9412    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70872635

> <Analog_DSSTox_Structure_Id>
DTXCID40820284

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
55005-80-6

> <Analog_preferred_name>
1,1,1,3-Tetrachloroheptadecane

> <Analog - index>
83|83|23|161

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID70872650
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
   -4.2868   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70872650

> <Analog_DSSTox_Structure_Id>
DTXCID90820299

> <Analog_Original_SMILES>
ClCCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_CASRN>
3922-34-7

> <Analog_preferred_name>
1,?1,?1,?11-?Tetrachloro-undecane

> <Analog - index>
160|160|104|93

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID70872655
  Mrv1813 07271812472D          

 21 20  0  0  0  0            999 V2000
   -7.3659   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6514   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9369   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2225   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5080   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7935   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3646   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2212   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9223   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6367   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0657   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7801   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2091   -0.1081    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -1.3456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70872655

> <Analog_DSSTox_Structure_Id>
DTXCID40820305

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
62017-21-4

> <Analog_preferred_name>
1,1-Dichlorononadecane

> <Analog - index>
161|161|105|94

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID70874058
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    0.2420    1.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8396    2.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577    0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9688   -0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804   -0.9771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -1.2270    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6424    1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436    1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    2.6280    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3528    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1372    1.6799    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938    0.1119    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1387    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466    0.3945    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    2.4617    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    1.6257    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15  5  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70874058

> <Analog_DSSTox_Structure_Id>
DTXCID501012192

> <Analog_Original_SMILES>
ClC1(Cl)CC2(C(Cl)CC1C2(CCl)C(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)CC2(C(Cl)CC1C2(CCl)C(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
20|20|151|139

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.9|0.9

$$$$
DTXSID70874139
  Mrv1813 07271812472D          

 19 21  0  0  0  0            999 V2000
    1.7330    1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6322    1.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8673    2.2013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1116    0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972    0.6589    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6213    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   -0.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    1.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239    1.5348    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1344    1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779    0.9786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    0.3436    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1099    2.3720    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3374   -0.1466    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0840   -1.0065    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 10 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70874139

> <Analog_DSSTox_Structure_Id>
DTXCID801012272

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3C(C(Cl)=C(Cl)C3Cl)C1(Cl)C(Cl)C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C(C(Cl)=C(Cl)C3Cl)C1(Cl)C(Cl)C2Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
15|17

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.823076923076923|0.8217054263565892

$$$$
DTXSID70875848
  Mrv1813 07271812472D          

 17 18  0  0  0  0            999 V2000
    0.4600    0.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575    1.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7765    0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    0.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757   -0.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    0.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0883    0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8102    0.9168    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -0.6371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0702    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    1.8217    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8618    0.3061    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916   -0.2386    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.7869    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6573    0.8668    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    1.7052    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13  5  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID70875848

> <Analog_DSSTox_Structure_Id>
DTXCID201013965

> <Analog_Original_SMILES>
ClC1(Cl)CC2C(C1CC2(Cl)Cl)(C(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)CC2C(C1CC2(Cl)Cl)(C(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
44|44|82|70

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9230769230769231|0.9230769230769231

$$$$
DTXSID80150032
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    3.7935    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80150032

> <Analog_DSSTox_Structure_Id>
DTXCID9072523

> <Analog_Original_SMILES>
ClCCCC1CCCCC1

> <Analog_Canonical_QSARr>
ClCCCC1CCCCC1

> <Analog_CASRN>
1124-62-5

> <Analog_preferred_name>
(3-Chloropropyl)cyclohexane

> <Analog - index>
134|134|64|52

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID80152374
  Mrv1813 07271812442D          

 20 21  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80152374

> <Analog_DSSTox_Structure_Id>
DTXCID8074865

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
119264-61-8

> <Analog_preferred_name>
2,2',3,4,4',5,6,6'-Octabromobiphenyl

> <Analog - index>
49|55

> <OFR_ID>
25|29

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL

> <OFR_CASRN>
67733-52-2|59080-40-9

> <similarity>
0.8144329896907216|0.8061224489795918

$$$$
DTXSID80187646
  Mrv1813 07271812442D          

 13 13  0  0  0  0            999 V2000
    2.7532    2.0261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1657    1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   -0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282   -0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532   -0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1657   -1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907   -1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032   -0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907   -0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907    1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80187646

> <Analog_DSSTox_Structure_Id>
DTXCID40110137

> <Analog_Original_SMILES>
ClC1CCCCCCCCCCC1

> <Analog_Canonical_QSARr>
ClC1CCCCCCCCCCC1

> <Analog_CASRN>
34039-83-3

> <Analog_preferred_name>
Chlorocyclododecane

> <Analog - index>
135|135|65|53

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID80201174
  Mrv1813 07271812442D          

 14 14  0  0  0  0            999 V2000
    4.7120    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685    2.2687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8541    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8541   -1.4438    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2830   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830   -2.2688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7120   -1.4438    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80201174

> <Analog_DSSTox_Structure_Id>
DTXCID80123665

> <Analog_Original_SMILES>
BrCCC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrCCC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
53097-60-2

> <Analog_preferred_name>
Pentabromo(2-bromoethyl)benzene

> <Analog - index>
0

> <OFR_ID>
132

> <OFR_DTXSID>
DTXSID7021782

> <OFR_PREFERRED_NAME>
2,3,4,5,6-PENTABROMOETHYLBENZENE

> <OFR_CASRN>
85-22-3

> <similarity>
0.8533333333333334

$$$$
DTXSID80207853
  Mrv1813 07271812452D          

  9  8  0  0  0  0            999 V2000
    1.6500   -0.0229    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2146    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80207853

> <Analog_DSSTox_Structure_Id>
DTXCID30130344

> <Analog_Original_SMILES>
CCCCCCC(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCC(Br)Br

> <Analog_CASRN>
59104-79-9

> <Analog_preferred_name>
1,1-Dibromoheptane

> <Analog - index>
218|226|226|228|228|223

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID8021068
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    1.5481   -0.8139    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481    0.0111    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481    1.6611    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    1.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    2.4861    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5953    1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    1.6611    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5953    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    0.0111    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5953   -1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -0.8139    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5953   -2.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -2.4639    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -2.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -3.2889    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -2.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15  3  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
  2 21  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8021068

> <Analog_DSSTox_Structure_Id>
DTXCID101068

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(Br)C(Br)=C1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(Br)C(Br)=C1C1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
27753-52-2

> <Analog_preferred_name>
Nonabromobiphenyl

> <Analog - index>
44|45

> <OFR_ID>
25|29

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL

> <OFR_CASRN>
67733-52-2|59080-40-9

> <similarity>
0.8333333333333334|0.8247422680412371

$$$$
DTXSID80220168
  Mrv1813 07271812452D          

 20 21  0  0  0  0            999 V2000
    4.3649    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6505   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6505   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
  2 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80220168

> <Analog_DSSTox_Structure_Id>
DTXCID80142659

> <Analog_Original_SMILES>
BrC1C=C(C2C(Br)=C(Br)C=C(Br)C=2Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C(Br)=C(Br)C=C(Br)C=2Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
69887-11-2

> <Analog_preferred_name>
2,2',3,3',4,5,5',6'-Octabromobiphenyl

> <Analog - index>
2|58|1

> <OFR_ID>
23|32|47

> <OFR_DTXSID>
-|DTXSID50218113|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|?

> <OFR_CASRN>
-|67888-96-4|69278-62-2

> <similarity>
0.9090909090909091|0.8113207547169812|0.9195402298850575

$$$$
DTXSID80228543
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.3397    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
  4 10  2  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80228543

> <Analog_DSSTox_Structure_Id>
DTXCID30151034

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2=CC=CC=C2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2=CC=CC=C2Br)=C(Br)C=1Br

> <Analog_CASRN>
77910-04-4

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4,6-pentabromo-

> <Analog - index>
28|25|8|2|9|0|4

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8857142857142857|0.8952380952380953|0.9622641509433962|0.941747572815534|0.9029126213592233|0.9807692307692307|0.9423076923076923

$$$$
DTXSID80231077
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80231077

> <Analog_DSSTox_Structure_Id>
DTXCID80153568

> <Analog_Original_SMILES>
BrC1C=C(Br)C(=CC=1Br)C1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(=CC=1Br)C1C=CC(Br)=CC=1Br

> <Analog_CASRN>
81397-99-1

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',4,4',5-pentabromo-

> <Analog - index>
17|7|2|23|11|17|35|17|18|29|21

> <OFR_ID>
23|25|29|32|33|34|37|39|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|DTXSID4074770|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|77102-82-0|-|115245-07-3|69278-62-2

> <similarity>
0.8181818181818182|0.9595959595959596|0.9696969696969697|0.9245283018867925|0.9029126213592233|0.8282828282828283|0.8285714285714286|0.8181818181818182|0.9238095238095239|0.8857142857142857|0.8080808080808081

$$$$
DTXSID80235358
  Mrv1813 07271812452D          

 17 18  0  0  0  0            999 V2000
    4.5078   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80235358

> <Analog_DSSTox_Structure_Id>
DTXCID80157849

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C=C2)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C=C2)=C(Br)C=1

> <Analog_CASRN>
86029-64-3

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3',4,4',6-pentabromo-

> <Analog - index>
18|17|43|6|22|34|22|41|41

> <OFR_ID>
25|29|32|33|34|37|39|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|DTXSID4074770|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|77102-82-0|-|115245-07-3

> <similarity>
0.9090909090909091|0.9191919191919192|0.8773584905660378|0.91|0.8144329896907216|0.8333333333333334|0.8041237113402062|0.8761904761904762|0.8557692307692307

$$$$
DTXSID80237251
  Mrv1813 07271812452D          

 19 20  0  0  0  0            999 V2000
    4.3574    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
  2 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80237251

> <Analog_DSSTox_Structure_Id>
DTXCID80159742

> <Analog_Original_SMILES>
BrC1C(=CC(Br)=C(Br)C=1Br)C1C(Br)=C(Br)C=CC=1Br

> <Analog_Canonical_QSARr>
BrC1C(=CC(Br)=C(Br)C=1Br)C1C(Br)=C(Br)C=CC=1Br

> <Analog_CASRN>
88700-04-3

> <Analog_preferred_name>
1,2,3,4-Tetrabromo-5-(2,3,6-tribromophenyl)benzene

> <Analog - index>
21|26|12|19|21|17|26

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.9029126213592233|0.8942307692307693|0.9433962264150944|0.8857142857142857|0.8653846153846154|0.9245283018867925|0.8867924528301887

$$$$
DTXSID8023927
  Mrv1813 07271812442D          

 14 15  0  0  0  0            999 V2000
    3.2588   -3.5376    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -2.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732   -2.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732   -1.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -0.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443    0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298    1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1154    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1154    0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443   -1.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443   -2.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
  7 12  2  0  0  0  0
 13  5  2  0  0  0  0
 14 13  1  0  0  0  0
  2 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8023927

> <Analog_DSSTox_Structure_Id>
DTXCID503927

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)OC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)OC1C=CC=CC=1

> <Analog_CASRN>
101-55-3

> <Analog_preferred_name>
p-Bromodiphenyl ether

> <Analog - index>
20|19|16

> <OFR_ID>
35|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|5436-43-1|41318-75-6

> <similarity>
0.8045977011494253|0.8160919540229885|0.8255813953488372

$$$$
DTXSID8024319
  Mrv1813 07271812442D          

 17 18  0  0  0  0            999 V2000
    2.2688    1.5316    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398    2.3566    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1253    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891    1.5316    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1253    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891   -0.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891   -0.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -2.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891   -2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -2.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398   -2.5934    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398   -0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
  9 15  2  0  0  0  0
 16  7  2  0  0  0  0
 17 16  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8024319

> <Analog_DSSTox_Structure_Id>
DTXCID904319

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1)OC1=CC=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1)OC1=CC=C(Br)C(Br)=C1Br

> <Analog_CASRN>
40088-47-9

> <Analog_preferred_name>
Tetrabromodiphenyl ether

> <Analog - index>
20|18|16|20|25|15|22|21

> <OFR_ID>
26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8811881188118812|0.8712871287128713|0.8712871287128713|0.8712871287128713|0.8|0.9108910891089109|0.81|0.8181818181818182

$$$$
DTXSID80275092
  Mrv1813 07271812452D          

 13 12  0  0  0  0            999 V2000
    7.6953    1.2851    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6953    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2663    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5519    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6940    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4097    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80275092

> <Analog_DSSTox_Structure_Id>
DTXCID40226540

> <Analog_Original_SMILES>
CCCCCCCCCC(Cl)CC

> <Analog_Canonical_QSARr>
CCCCCCCCCC(Cl)CC

> <Analog_CASRN>
2350-12-1

> <Analog_preferred_name>
3-chlorododecane

> <Analog - index>
136|136|66|54

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID80279358
  Mrv1813 07271812452D          

 20 21  0  0  0  0            999 V2000
    4.7644   -1.5621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210   -0.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675    0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355    1.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210    0.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644    1.7379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9707    0.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.3390    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -0.1633    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4789    0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1934    0.9129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4789   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1934   -0.7371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  2  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12  8  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80279358

> <Analog_DSSTox_Structure_Id>
DTXCID50230512

> <Analog_Original_SMILES>
COC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_Canonical_QSARr>
COC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <Analog_CASRN>
962-85-6

> <Analog_preferred_name>
MLS002638266

> <Analog - index>
0|2

> <OFR_ID>
11|143

> <OFR_DTXSID>
DTXSID3040306|DTXSID2020268

> <OFR_PREFERRED_NAME>
?|CHLORENDIC ACID

> <OFR_CASRN>
1773-89-3|115-28-6

> <similarity>
0.8786407766990292|0.8106796116504854

$$$$
DTXSID80283096
  Mrv1813 07271812452D          

 14 13  0  0  0  0            999 V2000
    7.3651   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3651   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6506    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80283096

> <Analog_DSSTox_Structure_Id>
DTXCID00234247

> <Analog_Original_SMILES>
CCCCCCCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
CCCCCCCCC(Br)C(=O)OC

> <Analog_CASRN>
7357-56-4

> <Analog_preferred_name>
Methyl 2-bromodecanoate

> <Analog - index>
20

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8235294117647058

$$$$
DTXSID80289851
  Mrv1813 07271812452D          

 25 29  0  0  0  0            999 V2000
    2.8846   -2.7294    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1547   -1.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9648   -1.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947   -0.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9648    0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749    0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450    1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8551    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1251    0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3150   -0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2053    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4754    1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9353    2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1251    2.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5049    1.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947    1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6146    0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0745    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3445    2.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1547    2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846   -0.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6146   -1.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
  9 16  2  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
  2 25  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80289851

> <Analog_DSSTox_Structure_Id>
DTXCID30240997

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1C2=CC=CC=C2C=C2C3=CC=CC=C3C=CC2=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1C2=CC=CC=C2C=C2C3=CC=CC=C3C=CC2=1

> <Analog_CASRN>
6968-59-8

> <Analog_preferred_name>
7-(4-bromophenyl)tetraphene

> <Analog - index>
13|6

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8271604938271605|0.8888888888888888

$$$$
DTXSID80295098
  Mrv1813 07271812452D          

 29 34  0  0  0  0            999 V2000
    2.7076   -2.6192    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9777   -1.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878   -1.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0578   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081   -1.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1380   -2.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3279   -2.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177   -0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878    0.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5979    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680    1.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6781    1.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9481    0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1380    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0283    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7583    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9481    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3279    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975    1.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076   -0.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376   -1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 13 20  2  0  0  0  0
 21 12  2  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 22  2  0  0  0  0
 28  9  2  0  0  0  0
 29 28  1  0  0  0  0
  2 29  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80295098

> <Analog_DSSTox_Structure_Id>
DTXCID70246236

> <Analog_Original_SMILES>
BrC1=CC=C(C2C3=CC=CC=C3C=C3C4=CC=CC=C4C=CC3=2)C2=CC=CC=C21

> <Analog_Canonical_QSARr>
BrC1=CC=C(C2C3=CC=CC=C3C=C3C4=CC=CC=C4C=CC3=2)C2=CC=CC=C21

> <Analog_CASRN>
19997-07-0

> <Analog_preferred_name>
7-(4-bromonaphthalen-1-yl)tetraphene

> <Analog - index>
14

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8571428571428571

$$$$
DTXSID80298408
  Mrv1813 07271812452D          

 19 22  0  0  0  0            999 V2000
    7.2176    0.4342    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5557   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413    0.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395   -0.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395   -0.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413   -1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475   -0.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5557   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123   -1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3617   -2.1915    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2061   -0.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7838   -0.9973    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    0.2673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    0.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2353    1.1787    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6978   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549    0.3149    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6978   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603   -1.3444    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80298408

> <Analog_DSSTox_Structure_Id>
DTXCID70249545

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3C(C4CC(Br)C3C4)C1(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C(C4CC(Br)C3C4)C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
92025-12-2

> <Analog_preferred_name>
2-bromo-5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene

> <Analog - index>
0|0|17|16

> <OFR_ID>
8|48|71|77

> <OFR_DTXSID>
-|DTXSID80866227|-|DTXSID7027750

> <OFR_PREFERRED_NAME>
?|Hexachlorocyclopentadienyl-dibromocyclooctane|1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|51936-55-1|-|13560-89-9

> <similarity>
0.935251798561151|0.9465648854961832|0.8120300751879699|0.8244274809160306

$$$$
DTXSID80301769
  Mrv1813 07271812452D          

 14 16  0  0  0  0            999 V2000
    3.1397   -0.9822    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1397   -0.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108   -0.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253   -0.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253   -1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397   -1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687   -0.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80301769

> <Analog_DSSTox_Structure_Id>
DTXCID20252903

> <Analog_Original_SMILES>
ClC12C3CCCC1CCCC2CCC3

> <Analog_Canonical_QSARr>
ClC12C3CCCC1CCCC2CCC3

> <Analog_CASRN>
33343-40-7

> <Analog_preferred_name>
9b-chlorododecahydro-1h-phenalene

> <Analog - index>
195|195|139|127

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID80302872
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    5.1728    0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6425    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   -0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    0.4732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1088   -0.4732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80302872

> <Analog_DSSTox_Structure_Id>
DTXCID00254006

> <Analog_Original_SMILES>
BrC1(Br)C2CC3C(CC12)C3(Br)Br

> <Analog_Canonical_QSARr>
BrC1(Br)C2CC3C(CC12)C3(Br)Br

> <Analog_CASRN>
90528-07-7

> <Analog_preferred_name>
4,4,8,8-tetrabromotricyclo[5.1.0.03,5]octane

> <Analog - index>
193|33|33|19|5|13

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8536585365853658|0.9024390243902439|0.9024390243902439|0.925|0.95|0.925

$$$$
DTXSID80330377
  Mrv1813 07271812452D          

 14 16  0  0  0  0            999 V2000
    2.5817   -1.5861    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5816   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   -0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -0.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 13  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 10  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  6 12  1  0  0  0  0
  4  5  1  0  0  0  0
  2 13  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80330377

> <Analog_DSSTox_Structure_Id>
DTXCID40281472

> <Analog_Original_SMILES>
CC12CC3(Br)CC(C)(C1)CC(C)(C3)C2

> <Analog_Canonical_QSARr>
CC12CC3(Br)CC(C)(C1)CC(C)(C3)C2

> <Analog_CASRN>
53398-55-3

> <Analog_preferred_name>
1-bromo-3,5,7-trimethyladamantane

> <Analog - index>
219|227|227|229

> <OFR_ID>
2|4|19|20

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205

$$$$
DTXSID80336218
  Mrv1813 07271812452D          

  9  8  0  0  0  0            999 V2000
    3.7931   -1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80336218

> <Analog_DSSTox_Structure_Id>
DTXCID30287307

> <Analog_Original_SMILES>
CCCC(Br)C(=O)OC

> <Analog_Canonical_QSARr>
CCCC(Br)C(=O)OC

> <Analog_CASRN>
19129-92-1

> <Analog_preferred_name>
methyl 2-bromopentanoate

> <Analog - index>
7

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8714285714285714

$$$$
DTXSID80336233
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    4.6270   -1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6270   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    1.8562    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691   -1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  9  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80336233

> <Analog_DSSTox_Structure_Id>
DTXCID30287322

> <Analog_Original_SMILES>
BrCC1CC(CC(C1)CBr)CBr

> <Analog_Canonical_QSARr>
BrCC1CC(CC(C1)CBr)CBr

> <Analog_CASRN>
56025-65-1

> <Analog_preferred_name>
1,3,5-tris(bromomethyl)cyclohexane

> <Analog - index>
247|203|203|185|179|199

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8|0.8048780487804879|0.8048780487804879|0.8717948717948718|0.85|0.825

$$$$
DTXSID80337942
  Mrv1813 07271812452D          

 11 10  0  0  0  0            999 V2000
    6.3266    1.2563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6121    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80337942

> <Analog_DSSTox_Structure_Id>
DTXCID90289029

> <Analog_Original_SMILES>
CCCCCCCC(Br)CC

> <Analog_Canonical_QSARr>
CCCCCCCC(Br)CC

> <Analog_CASRN>
30571-71-2

> <Analog_preferred_name>
3-Bromodecane

> <Analog - index>
101|124|124|106|155|153

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID80341483
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    3.5551   -1.0586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9231   -0.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2911   -1.0586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3356    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7645    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1935    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80341483

> <Analog_DSSTox_Structure_Id>
DTXCID00292564

> <Analog_Original_SMILES>
CC1C(CCCCC)C1(Cl)Cl

> <Analog_Canonical_QSARr>
CC1C(CCCCC)C1(Cl)Cl

> <Analog_CASRN>
24551-85-7

> <Analog_preferred_name>
Cyclopropane, 1,1-dichloro-2-methyl-3-pentyl-

> <Analog - index>
213|213|181|179

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID80355707
  Mrv1813 07271812452D          

 11 11  0  0  0  0            999 V2000
    5.9369   -0.0188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  4 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80355707

> <Analog_DSSTox_Structure_Id>
DTXCID50306766

> <Analog_Original_SMILES>
BrCCC1=CC=CC=C1CBr

> <Analog_Canonical_QSARr>
BrCCC1=CC=CC=C1CBr

> <Analog_CASRN>
38256-56-3

> <Analog_preferred_name>
1-(2-bromoethyl)-2-(bromomethyl)benzene

> <Analog - index>
9

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8541666666666666

$$$$
DTXSID80399065
  Mrv1813 07271812462D          

 16 15  0  0  0  0            999 V2000
    9.7772    1.2891    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.7772    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0627    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3482    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6337    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4903    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4916    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    0.4641    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80399065

> <Analog_DSSTox_Structure_Id>
DTXCID80349924

> <Analog_Original_SMILES>
CCCCCCCCCCCCC(Br)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCC(Br)CBr

> <Analog_CASRN>
6064-45-5

> <Analog_preferred_name>
1,2-dibromotetradecane

> <Analog - index>
8|22|22|129|39|33

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.925|0.925|0.9|0.8780487804878049|0.9

$$$$
DTXSID80407795
  Mrv1813 07271812462D          

 18 17  0  0  0  0            999 V2000
   11.1762    1.3063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.1762    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4618    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7473    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0328    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3184    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6039    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8894    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4605    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1737    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8907    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6052    0.4813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80407795

> <Analog_DSSTox_Structure_Id>
DTXCID30358647

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCC(Br)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCC(Br)CBr

> <Analog_CASRN>
63758-87-2

> <Analog_preferred_name>
1,2-dibromohexadecane

> <Analog - index>
9|23|23|130|40|34

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.925|0.925|0.9|0.8780487804878049|0.9

$$$$
DTXSID80408464
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.2227   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80408464

> <Analog_DSSTox_Structure_Id>
DTXCID30359316

> <Analog_Original_SMILES>
CCCCCC(Br)CCCCC

> <Analog_Canonical_QSARr>
CCCCCC(Br)CCCCC

> <Analog_CASRN>
106593-84-4

> <Analog_preferred_name>
6-bromoundecane

> <Analog - index>
189|199|199|199|236

> <OFR_ID>
2|4|19|20|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3194-57-8

> <similarity>
0.868421052631579|0.825|0.825|0.8461538461538461|0.8

$$$$
DTXSID80415875
  Mrv1813 07271812462D          

  8  9  0  0  0  0            999 V2000
    1.0899   -1.4311    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4938   -0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9597    0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3015    0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3187   -0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80415875

> <Analog_DSSTox_Structure_Id>
DTXCID50366724

> <Analog_Original_SMILES>
BrC12CC(C1)CCC2

> <Analog_Canonical_QSARr>
BrC12CC(C1)CCC2

> <Analog_CASRN>
111830-40-1

> <Analog_preferred_name>
Bicyclo[3.1.1]heptane, 1-bromo-

> <Analog - index>
56

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID8042214
  Mrv1813 07271812442D          

 19 21  0  0  0  0            999 V2000
    3.1253   -1.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316   -2.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957   -3.1223    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -2.5641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7259   -1.4118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2947   -1.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -1.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5898   -2.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071   -2.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -3.5196    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3171   -2.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385   -2.0524    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -1.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4978   -0.5692    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -0.3278    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -3.7322    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9176   -0.9549    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 17  1  0  0  0  0
  4 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8042214

> <Analog_DSSTox_Structure_Id>
DTXCID6022214

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C3C(C(Cl)C(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C3C(C(Cl)C(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl

> <Analog_CASRN>
3734-49-4

> <Analog_preferred_name>
Nonachlor

> <Analog - index>
11|11

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.9243697478991597|0.923728813559322

$$$$
DTXSID80450423
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.6699   -2.2658    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9554   -1.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9554   -1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409   -0.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409    0.2092    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409    1.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264    1.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    0.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4784    0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    0.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80450423

> <Analog_DSSTox_Structure_Id>
DTXCID30401243

> <Analog_Original_SMILES>
COP(=O)(OCCCl)OC

> <Analog_Canonical_QSARr>
COP(=O)(OCCCl)OC

> <Analog_CASRN>
13674-89-0

> <Analog_preferred_name>
Phosphoric acid, 2-chloroethyl dimethyl ester

> <Analog - index>
16|18

> <OFR_ID>
108|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-84-5

> <similarity>
0.875|0.8076923076923077

$$$$
DTXSID80459496
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6497    0.0476    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    1.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80459496

> <Analog_DSSTox_Structure_Id>
DTXCID30410315

> <Analog_Original_SMILES>
CCCCCCCC[C@H](C)CCBr

> <Analog_Canonical_QSARr>
CCCCCCCCC(C)CCBr

> <Analog_CASRN>
84567-97-5

> <Analog_preferred_name>
Undecane, 1-bromo-3-methyl-, (S)-

> <Analog - index>
102|125|125|107|156|154

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID80475959
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    1.6500    0.0688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80475959

> <Analog_DSSTox_Structure_Id>
DTXCID80426769

> <Analog_Original_SMILES>
CC[C@@H](C)C[C@@H](C)C[C@@H](C)CBr

> <Analog_Canonical_QSARr>
CCC(C)CC(C)CC(C)CBr

> <Analog_CASRN>
200925-62-8

> <Analog_preferred_name>
Octane, 1-bromo-2,4,6-trimethyl-, (2R,4R,6R)-

> <Analog - index>
151|172|172|155|60|54

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID80481898
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    2.8948    1.5306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.5764    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80481898

> <Analog_DSSTox_Structure_Id>
DTXCID20432708

> <Analog_Original_SMILES>
CC1(Cl)CCC(Cl)CC1

> <Analog_Canonical_QSARr>
CC1(Cl)CCC(Cl)CC1

> <Analog_CASRN>
57992-28-6

> <Analog_preferred_name>
Cyclohexane, 1,4-dichloro-1-methyl-

> <Analog - index>
232

> <OFR_ID>
95

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8648648648648649

$$$$
DTXSID8049339
  Mrv1813 07271812442D          

 16 15  0  0  0  0            999 V2000
   -0.6168   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0976   -2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9555   -2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6700   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134   -2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5279   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2424   -2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9568   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6713   -2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3858   -2.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1002   -2.2914    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8049339

> <Analog_DSSTox_Structure_Id>
DTXCID2029296

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCBr

> <Analog_CASRN>
629-72-1

> <Analog_preferred_name>
Pentadecane,1-bromo-

> <Analog - index>
103|126|126|108|157|155

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID80497737
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.5078    1.1963    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.3713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80497737

> <Analog_DSSTox_Structure_Id>
DTXCID80448547

> <Analog_Original_SMILES>
CCCCC(Br)CCCBr

> <Analog_Canonical_QSARr>
CCCCC(Br)CCCBr

> <Analog_CASRN>
70690-24-3

> <Analog_preferred_name>
1,4-Dibromooctane

> <Analog - index>
172|127|127|176|27|21

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8974358974358975|0.9|0.9|0.875|0.9|0.9230769230769231

$$$$
DTXSID80500578
  Mrv1813 07271812462D          

  8  8  0  0  0  0            999 V2000
    2.8946    1.1204    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -1.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80500578

> <Analog_DSSTox_Structure_Id>
DTXCID70451388

> <Analog_Original_SMILES>
CC1(Br)CCCCC1

> <Analog_Canonical_QSARr>
CC1(Br)CCCCC1

> <Analog_CASRN>
931-77-1

> <Analog_preferred_name>
1-Bromo-1-methylcyclohexane

> <Analog - index>
57

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID80502077
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    4.9448    0.9959    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3615    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3615   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448   -0.9959    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80502077

> <Analog_DSSTox_Structure_Id>
DTXCID40452887

> <Analog_Original_SMILES>
CCC1(CC)C2C1C(Cl)C2Cl

> <Analog_Canonical_QSARr>
CCC1(CC)C2C1C(Cl)C2Cl

> <Analog_CASRN>
61111-72-6

> <Analog_preferred_name>
2,3-Dichloro-5,5-diethylbicyclo[2.1.0]pentane

> <Analog - index>
196|196|217

> <OFR_ID>
3|21|95

> <OFR_DTXSID>
DTXSID30860639|-|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|-

> <similarity>
0.85|0.85|0.868421052631579

$$$$
DTXSID80502254
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    4.9842    1.2146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2698   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4132    0.3896    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80502254

> <Analog_DSSTox_Structure_Id>
DTXCID70453064

> <Analog_Original_SMILES>
CCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCC(Cl)CCl

> <Analog_CASRN>
10575-87-8

> <Analog_preferred_name>
1,2-Dichloroheptane

> <Analog - index>
234|234|245

> <OFR_ID>
3|21|95

> <OFR_DTXSID>
DTXSID30860639|-|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|-

> <similarity>
0.825|0.825|0.8421052631578947

$$$$
DTXSID80503120
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    4.9842    1.2146    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2698   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -0.0229    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4132    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80503120

> <Analog_DSSTox_Structure_Id>
DTXCID40453930

> <Analog_Original_SMILES>
CCC(Br)CCCCBr

> <Analog_Canonical_QSARr>
CCC(Br)CCCCBr

> <Analog_CASRN>
1622-10-2

> <Analog_preferred_name>
1,5-Dibromoheptane

> <Analog - index>
237|200|200|200|200|194

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8205128205128205|0.825|0.825|0.8461538461538461|0.825|0.8461538461538461

$$$$
DTXSID80506717
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    5.7823    2.2171    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3698    1.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5448    1.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1323    0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8948    0.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    0.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5448    0.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3698    0.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7823   -0.6408    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7823    0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80506717

> <Analog_DSSTox_Structure_Id>
DTXCID10457526

> <Analog_Original_SMILES>
CC(Br)CC(CCBr)CCCC

> <Analog_Canonical_QSARr>
CC(Br)CC(CCBr)CCCC

> <Analog_CASRN>
79023-48-6

> <Analog_preferred_name>
2-Bromo-4-(2-bromoethyl)octane

> <Analog - index>
186|173|173|156|61|55

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8717948717948718|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID80510172
  Mrv1813 07271812462D          

 15 14  0  0  0  0            999 V2000
    1.6501    0.0688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80510172

> <Analog_DSSTox_Structure_Id>
DTXCID10460979

> <Analog_Original_SMILES>
CCCCCCCCCCCCC(C)Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCC(C)Br

> <Analog_CASRN>
74036-95-6

> <Analog_preferred_name>
2-Bromotetradecane

> <Analog - index>
104|128|128|109|158|156

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID80515460
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    5.7624   -0.7719    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9374   -0.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249   -0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999   -0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874    0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4624    0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499    1.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249    1.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374    0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7624    0.6570    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80515460

> <Analog_DSSTox_Structure_Id>
DTXCID40466267

> <Analog_Original_SMILES>
CCCCCC(CBr)CBr

> <Analog_Canonical_QSARr>
CCCCCC(CBr)CBr

> <Analog_CASRN>
89074-70-4

> <Analog_preferred_name>
1-Bromo-2-(bromomethyl)heptane

> <Analog - index>
190|201|237

> <OFR_ID>
2|20|129

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|1093632-34-8|3194-57-8

> <similarity>
0.868421052631579|0.8461538461538461|0.8

$$$$
DTXSID80517409
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.5079   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80517409

> <Analog_DSSTox_Structure_Id>
DTXCID30468215

> <Analog_Original_SMILES>
CCCCC(Cl)CC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCC(Cl)CC(Cl)Cl

> <Analog_CASRN>
56686-57-8

> <Analog_preferred_name>
1,1,3-Trichloroheptane

> <Analog - index>
249|249|216

> <OFR_ID>
3|21|67

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457

> <similarity>
0.8048780487804879|0.8048780487804879|0.868421052631579

$$$$
DTXSID8052641
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    0.3579   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579   -2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -2.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    0.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -0.8222    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8052641

> <Analog_DSSTox_Structure_Id>
DTXCID5031214

> <Analog_Original_SMILES>
OC1C=CC=CC=1Br

> <Analog_Canonical_QSARr>
OC1C=CC=CC=1Br

> <Analog_CASRN>
95-56-7

> <Analog_preferred_name>
2-Bromophenol

> <Analog - index>
0

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.9137931034482759

$$$$
DTXSID80528671
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    3.7284    0.9937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7284    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994   -1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4429   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573    0.1687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  3  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80528671

> <Analog_DSSTox_Structure_Id>
DTXCID20479476

> <Analog_Original_SMILES>
CC1=CC=CC=C1C(Br)CBr

> <Analog_Canonical_QSARr>
CC1=CC=CC=C1C(Br)CBr

> <Analog_CASRN>
90399-62-5

> <Analog_preferred_name>
1-(1,2-Dibromoethyl)-2-methylbenzene

> <Analog - index>
2

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8924731182795699

$$$$
DTXSID80543501
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.3643    0.3713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0787   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0800    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80543501

> <Analog_DSSTox_Structure_Id>
DTXCID80494286

> <Analog_Original_SMILES>
CC[C@H](C)CCCCCBr

> <Analog_Canonical_QSARr>
CCC(C)CCCCCBr

> <Analog_CASRN>
59177-09-2

> <Analog_preferred_name>
(6S)-1-Bromo-6-methyloctane

> <Analog - index>
152|174|174|157|62|56

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID80543581
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    1.6498    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80543581

> <Analog_DSSTox_Structure_Id>
DTXCID20494366

> <Analog_Original_SMILES>
CC(Br)CCCC(C)Br

> <Analog_Canonical_QSARr>
CC(Br)CCCC(C)Br

> <Analog_CASRN>
61485-85-6

> <Analog_preferred_name>
2,6-Dibromoheptane

> <Analog - index>
43

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8285714285714286

$$$$
DTXSID80548894
  Mrv1813 07271812462D          

 18 19  0  0  0  0            999 V2000
    5.4605    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4605   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  5 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80548894

> <Analog_DSSTox_Structure_Id>
DTXCID60499678

> <Analog_Original_SMILES>
BrC1=C(OC2C=CC=CC=2)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(OC2C=CC=CC=2)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
189084-65-9

> <Analog_preferred_name>
1,2,3,4,5-Pentabromo-6-phenoxybenzene

> <Analog - index>
19|28|27|28|24

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8854166666666666|0.8181818181818182|0.8181818181818182|0.8367346938775511|0.8585858585858586

$$$$
DTXSID80549189
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    3.2862    0.6287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    2.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80549189

> <Analog_DSSTox_Structure_Id>
DTXCID80499973

> <Analog_Original_SMILES>
CCCC1(Cl)CCCCC1

> <Analog_Canonical_QSARr>
CCCC1(Cl)CCCCC1

> <Analog_CASRN>
2475-86-7

> <Analog_preferred_name>
1-Chloro-1-propylcyclohexane

> <Analog - index>
235|235|192|190

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.825|0.825|0.8918918918918919|0.8918918918918919

$$$$
DTXSID80549846
  Mrv1813 07271812462D          

  8  7  0  0  0  0            999 V2000
    1.4712    0.3094    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1857   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0436   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7580    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80549846

> <Analog_DSSTox_Structure_Id>
DTXCID40500630

> <Analog_Original_SMILES>
CC[C@H](C)CCCBr

> <Analog_Canonical_QSARr>
CCC(C)CCCBr

> <Analog_CASRN>
53353-01-8

> <Analog_preferred_name>
(4S)-1-Bromo-4-methylhexane

> <Analog - index>
38

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID80553241
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    4.7460    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80553241

> <Analog_DSSTox_Structure_Id>
DTXCID10504024

> <Analog_Original_SMILES>
C=CCOC1C=CC(Br)=CC=1Br

> <Analog_Canonical_QSARr>
C=CCOC1C=CC(Br)=CC=1Br

> <Analog_CASRN>
69227-61-8

> <Analog_preferred_name>
2,4-Dibromo-1-[(prop-2-en-1-yl)oxy]benzene

> <Analog - index>
0|0

> <OFR_ID>
145|146

> <OFR_DTXSID>
DTXSID3044918|-

> <OFR_PREFERRED_NAME>
1,3,5-TRIBROMO-2-(PROP-2-EN-1-YLOXY)BENZENE|?

> <OFR_CASRN>
3278-89-5|-

> <similarity>
0.9017857142857143|0.8934426229508197

$$$$
DTXSID80555003
  Mrv1813 07271812462D          

 10 10  0  0  0  0            999 V2000
    2.3645   -2.2688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80555003

> <Analog_DSSTox_Structure_Id>
DTXCID40505786

> <Analog_Original_SMILES>
CCCC1CCC(Br)CC1

> <Analog_Canonical_QSARr>
CCCC1CCC(Br)CC1

> <Analog_CASRN>
91175-02-9

> <Analog_preferred_name>
1-Bromo-4-propylcyclohexane

> <Analog - index>
153|175|175|158|192|190

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.8292682926829268|0.85

$$$$
DTXSID80558397
  Mrv1813 07271812462D          

  9  8  0  0  0  0            999 V2000
    1.6500   -0.0229    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80558397

> <Analog_DSSTox_Structure_Id>
DTXCID90509178

> <Analog_Original_SMILES>
CCCCC(C)CCBr

> <Analog_Canonical_QSARr>
CCCCC(C)CCBr

> <Analog_CASRN>
5200-08-8

> <Analog_preferred_name>
1-Bromo-3-methylheptane

> <Analog - index>
220|228|228|230|229|224

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID80563603
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    5.1574    1.2563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1574    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8719    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5864    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3008    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0153    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80563603

> <Analog_DSSTox_Structure_Id>
DTXCID00514379

> <Analog_Original_SMILES>
CCCCCC(Br)CCCC

> <Analog_Canonical_QSARr>
CCCCCC(Br)CCCC

> <Analog_CASRN>
62065-03-6

> <Analog_preferred_name>
5-Bromodecane

> <Analog - index>
191|201|201|202|238

> <OFR_ID>
2|4|19|20|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3194-57-8

> <similarity>
0.868421052631579|0.825|0.825|0.8461538461538461|0.8

$$$$
DTXSID80578616
  Mrv1813 07271812462D          

 13 13  0  0  0  0            999 V2000
    3.6093    1.5250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5820    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.7570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5487    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80578616

> <Analog_DSSTox_Structure_Id>
DTXCID20529384

> <Analog_Original_SMILES>
CC1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_Canonical_QSARr>
CC1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl

> <Analog_CASRN>
73664-24-1

> <Analog_preferred_name>
1,2,3,4,5,6-Hexachloro-1-methylcyclohexane

> <Analog - index>
61|61

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.9|0.9

$$$$
DTXSID8059423
  Mrv1813 07271812442D          

 19 18  0  0  0  0            999 V2000
   15.6156    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9011    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1866    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4722    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7577    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0432    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6143    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8998    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1853    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3301    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0445    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7590    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4735    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1879    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9024    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6169    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3314    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0458    6.1282    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8059423

> <Analog_DSSTox_Structure_Id>
DTXCID4033265

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
112-89-0

> <Analog_preferred_name>
Octadecane, 1-bromo-

> <Analog - index>
105|129|129|110|159|157

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID80600406
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.3780    0.4875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491    1.3125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2346    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201    0.4875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2346   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491   -1.9875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6635   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3780   -1.1625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80600406

> <Analog_DSSTox_Structure_Id>
DTXCID60551164

> <Analog_Original_SMILES>
BrC1C(Br)C(Br)CC(Br)C1Br

> <Analog_Canonical_QSARr>
BrC1C(Br)C(Br)CC(Br)C1Br

> <Analog_CASRN>
16045-27-5

> <Analog_preferred_name>
1,2,3,4,5-Pentabromocyclohexane

> <Analog - index>
0|239

> <OFR_ID>
113|129

> <OFR_DTXSID>
DTXSID4052687|DTXSID0052750

> <OFR_PREFERRED_NAME>
?|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
1837-91-8|3194-57-8

> <similarity>
1.0|0.8

$$$$
DTXSID80605219
  Mrv1813 07271812462D          

 12 11  0  0  0  0            999 V2000
    1.6500   -0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80605219

> <Analog_DSSTox_Structure_Id>
DTXCID70555976

> <Analog_Original_SMILES>
COC(=O)C(C)CCCCCBr

> <Analog_Canonical_QSARr>
COC(=O)C(C)CCCCCBr

> <Analog_CASRN>
54131-74-7

> <Analog_preferred_name>
Methyl 7-bromo-2-methylheptanoate

> <Analog - index>
21

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8148148148148148

$$$$
DTXSID80609813
  Mrv1813 07271812462D          

 15 14  0  0  0  0            999 V2000
    9.0806    1.3063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0806    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9372    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2227    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5082    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7950    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5095    0.4813    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80609813

> <Analog_DSSTox_Structure_Id>
DTXCID20560570

> <Analog_Original_SMILES>
CCCCCCCCCCCC(Cl)CCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCC(Cl)CCl

> <Analog_CASRN>
701920-72-1

> <Analog_preferred_name>
1,2-Dichlorotridecane

> <Analog - index>
62|62|106|95

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9|0.9|0.9210526315789473|0.9210526315789473

$$$$
DTXSID80610045
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    4.9950   -2.2855    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805   -1.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805   -0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1536    0.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7411    0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  6  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80610045

> <Analog_DSSTox_Structure_Id>
DTXCID50560801

> <Analog_Original_SMILES>
CC1(C)C[C@@H]1CCCBr

> <Analog_Canonical_QSARr>
CC1(C)CC1CCCBr

> <Analog_CASRN>
130995-39-0

> <Analog_preferred_name>
(2S)-2-(3-Bromopropyl)-1,1-dimethylcyclopropane

> <Analog - index>
221|229|229|231|230|225

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID8061181
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    0.5716   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8061181

> <Analog_DSSTox_Structure_Id>
DTXCID7048299

> <Analog_Original_SMILES>
ClCC1CCC(CC1)CCl

> <Analog_Canonical_QSARr>
ClCC1CCC(CC1)CCl

> <Analog_CASRN>
824-93-1

> <Analog_preferred_name>
Cyclohexane, 1,4-bis(chloromethyl)-

> <Analog - index>
236|236|246

> <OFR_ID>
3|21|95

> <OFR_DTXSID>
DTXSID30860639|-|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|-

> <similarity>
0.825|0.825|0.8421052631578947

$$$$
DTXSID80614048
  Mrv1813 07271812462D          

 12 12  0  0  0  0            999 V2000
    3.7516    1.1089    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4695    0.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819    0.1904    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7550    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853    1.3781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.3781    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0405    0.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405   -0.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550   -0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4695   -0.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9067   -1.1910    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2940   -0.5201    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80614048

> <Analog_DSSTox_Structure_Id>
DTXCID90564803

> <Analog_Original_SMILES>
ClC1(Br)CCCC(Br)(Br)C1(Br)Br

> <Analog_Canonical_QSARr>
ClC1(Br)CCCC(Br)(Br)C1(Br)Br

> <Analog_CASRN>
84886-81-7

> <Analog_preferred_name>
1,1,2,2,3-Pentabromo-3-chlorocyclohexane

> <Analog - index>
7

> <OFR_ID>
112

> <OFR_DTXSID>
DTXSID4025828

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
87-84-3

> <similarity>
0.8888888888888888

$$$$
DTXSID8061680
  Mrv1813 07271812362D          

  9  9  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8061680

> <Analog_DSSTox_Structure_Id>
DTXCID5034149

> <Analog_Original_SMILES>
BrC=CC1C=CC=CC=1

> <Analog_Canonical_QSARr>
BrC=CC1C=CC=CC=1

> <Analog_CASRN>
1335-06-4

> <Analog_preferred_name>
Benzene, bromoethenyl-

> <Analog - index>
2

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8666666666666667

$$$$
DTXSID8062448
  Mrv1813 07271812442D          

 12 11  0  0  0  0            999 V2000
    7.8078    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0933    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6644    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5210    2.8578    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2367    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6657    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8062448

> <Analog_DSSTox_Structure_Id>
DTXCID2037138

> <Analog_Original_SMILES>
CCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCl

> <Analog_CASRN>
2473-03-2

> <Analog_preferred_name>
Undecane, 1-chloro-

> <Analog - index>
137|137|67|55

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID80631997
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    4.8252   -0.3570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4127    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002    1.0720    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232   -0.8800    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8732   -0.8800    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9837   -2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9837   -2.9425    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    2.4200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9521    1.5950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3021    1.5950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80631997

> <Analog_DSSTox_Structure_Id>
DTXCID90582749

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)(Cl)CC(Cl)(Cl)CCCl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)(Cl)CC(Cl)(Cl)CCCl

> <Analog_CASRN>
63424-29-3

> <Analog_preferred_name>
1,1,1,3,3,5,5,7-Octachloroheptane

> <Analog - index>
217

> <OFR_ID>
67

> <OFR_DTXSID>
DTXSID10872457

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
NOCAS_872457

> <similarity>
0.868421052631579

$$$$
DTXSID80634483
  Mrv1813 07271812472D          

 23 24  0  0  0  0            999 V2000
    5.1913   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4768   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    1.0312    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7623    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    2.6812    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0478    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478    3.5062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6189    2.6812    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -1.0313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0478   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -2.6813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -3.5063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4768   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913   -2.6813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
  6 15  2  0  0  0  0
 16  3  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
 18 19  1  0  0  0  0
 20 18  1  0  0  0  0
 20 21  1  0  0  0  0
 22 20  2  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80634483

> <Analog_DSSTox_Structure_Id>
DTXCID90585235

> <Analog_Original_SMILES>
BrC1=C(CCC2=CC(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(CCC2=CC(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
138144-04-4

> <Analog_preferred_name>
1,2,3,4,5-Pentabromo-6-[2-(2,3,4,5-tetrabromophenyl)ethyl]benzene

> <Analog - index>
0

> <OFR_ID>
55

> <OFR_DTXSID>
DTXSID2052732

> <OFR_PREFERRED_NAME>
BENZENE, 1,1'-(1,2-ETHANEDIYL)BIS[2,3,4,5,6-PENTABROMO-

> <OFR_CASRN>
84852-53-9

> <similarity>
0.8207547169811321

$$$$
DTXSID80657935
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    4.3650    0.9075    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    1.7325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2216    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071   -0.7425    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650   -0.7425    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80657935

> <Analog_DSSTox_Structure_Id>
DTXCID80608684

> <Analog_Original_SMILES>
ClC1CC(Cl)C(Cl)C(Cl)C1

> <Analog_Canonical_QSARr>
ClC1CC(Cl)C(Cl)C(Cl)C1

> <Analog_CASRN>
95115-16-5

> <Analog_preferred_name>
1,2,3,5-Tetrachlorocyclohexane

> <Analog - index>
237|237

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.825|0.825

$$$$
DTXSID80697790
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    5.2646    1.6325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   -0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   -0.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5501   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8357   -0.8425    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5501   -2.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8357   -2.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212   -2.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -3.2070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4232   -1.7780    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6935    1.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6935    2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6935    3.2825    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5185    2.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8685    2.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80697790

> <Analog_DSSTox_Structure_Id>
DTXCID70648539

> <Analog_Original_SMILES>
ClC(Cl)(Cl)CC(Cl)CCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC(Cl)(Cl)CC(Cl)CCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
13389-26-9

> <Analog_preferred_name>
1,1,1,3,7,9,9,9-Octachlorononane

> <Analog - index>
45|45|6|71

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.9736842105263158|0.9230769230769231

$$$$
DTXSID8069856
  Mrv1813 07271812442D          

 29 28  0  0  0  0            999 V2000
   -2.1491    2.9116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    2.9116    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    3.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596    4.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451    3.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8307    4.1491    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7991    2.9116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2116    3.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7991    4.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2116    5.0550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    2.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596    1.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596    0.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0846    0.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4971    0.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4346    0.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0221    0.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451   -0.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451   -1.2134    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3701   -1.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451   -2.0384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596   -2.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741   -2.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886   -2.4509    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201   -1.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076   -1.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201   -2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451   -2.6424    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8069856

> <Analog_DSSTox_Structure_Id>
DTXCID2043878

> <Analog_Original_SMILES>
OCC(COP(=O)(OCCCl)OCCCl)(COP(=O)(OCCCl)OCCCl)CO

> <Analog_Canonical_QSARr>
OCC(COP(=O)(OCCCl)OCCCl)(COP(=O)(OCCCl)OCCCl)CO

> <Analog_CASRN>
63451-45-6

> <Analog_preferred_name>
Phosphoric acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl tetrakis(2-chloroethyl) ester

> <Analog - index>
2

> <OFR_ID>
49

> <OFR_DTXSID>
DTXSID8028000

> <OFR_PREFERRED_NAME>
PHOSPHORIC ACID, 2,2-BIS(CHLOROMETHYL)-1,3-PROPANEDIYL TETRAKIS(2-CHLOROETHYL) ESTER

> <OFR_CASRN>
38051-10-4

> <similarity>
0.8260869565217391

$$$$
DTXSID80699613
  Mrv1813 07271812472D          

 16 15  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80699613

> <Analog_DSSTox_Structure_Id>
DTXCID00650362

> <Analog_Original_SMILES>
CCCCCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
4168-40-5

> <Analog_preferred_name>
1,1-Dichlorotetradecane

> <Analog - index>
162|162|107|96

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID80727061
  Mrv1813 07271812472D          

 21 24  0  0  0  0            999 V2000
    1.3678   -1.3053    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0822   -0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7967   -1.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112   -0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9401   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6546    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0835    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0835    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7980    1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7980   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690    1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6546    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9401   -0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256   -1.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7967    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0822   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
  8 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  2  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80727061

> <Analog_DSSTox_Structure_Id>
DTXCID30677805

> <Analog_Original_SMILES>
BrC1=CC2C=CC(=CC=2C=C1)C1=CC2=CC=CC=C2C=C1

> <Analog_Canonical_QSARr>
BrC1=CC2C=CC(=CC=2C=C1)C1=CC2=CC=CC=C2C=C1

> <Analog_CASRN>
62156-75-6

> <Analog_preferred_name>
6-Bromo-2,2'-binaphthalene

> <Analog - index>
29

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.813953488372093

$$$$
DTXSID80734598
  Mrv1813 07271812472D          

 13 13  0  0  0  0            999 V2000
    2.8524    1.0661    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8524    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7255   -0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2814    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7103    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1393    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8537   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5682    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80734598

> <Analog_DSSTox_Structure_Id>
DTXCID10685342

> <Analog_Original_SMILES>
CCCCCCCCC(Cl)C1CC1

> <Analog_Canonical_QSARr>
CCCCCCCCC(Cl)C1CC1

> <Analog_CASRN>
65534-74-9

> <Analog_preferred_name>
(1-Chlorononyl)cyclopropane

> <Analog - index>
138|138|68|56

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID8073924
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    1.2860    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716    1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716    2.1450    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.3300    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   -0.3300    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0005    1.3200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8073924

> <Analog_DSSTox_Structure_Id>
DTXCID1043833

> <Analog_Original_SMILES>
BrC1C=C(Br)C=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C=C(Br)C=1Br

> <Analog_CASRN>
634-89-9

> <Analog_preferred_name>
Benzene, 1,2,3,5-tetrabromo-

> <Analog - index>
0

> <OFR_ID>
116

> <OFR_DTXSID>
DTXSID90209646

> <OFR_PREFERRED_NAME>
1,2,3,4,5-pentabromobenzene

> <OFR_CASRN>
608-90-2

> <similarity>
0.9375

$$$$
DTXSID8074021
  Mrv1813 07271812442D          

 10 10  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID8074021

> <Analog_DSSTox_Structure_Id>
DTXCID7036662

> <Analog_Original_SMILES>
BrC1=CC=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=CC=C(Br)C(Br)=C1Br

> <Analog_CASRN>
22311-25-7

> <Analog_preferred_name>
Benzene, 1,2,3,4-tetrabromo-

> <Analog - index>
1

> <OFR_ID>
116

> <OFR_DTXSID>
DTXSID90209646

> <OFR_PREFERRED_NAME>
1,2,3,4,5-pentabromobenzene

> <OFR_CASRN>
608-90-2

> <similarity>
0.9375

$$$$
DTXSID80741888
  Mrv1813 07271812472D          

 15 16  0  0  0  0            999 V2000
    0.5957    1.4998    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3101    1.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    1.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    1.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246   -0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3101    0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535   -0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680    0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825   -0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5970    0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3114   -0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0259    0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315    0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    0.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80741888

> <Analog_DSSTox_Structure_Id>
DTXCID10692632

> <Analog_Original_SMILES>
CCCCCCC12CCC(Cl)(CC1)CC2

> <Analog_Canonical_QSARr>
CCCCCCC12CCC(Cl)(CC1)CC2

> <Analog_CASRN>
89027-53-2

> <Analog_preferred_name>
1-Chloro-4-hexylbicyclo[2.2.2]octane

> <Analog - index>
197|197|140|128

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID80772293
  Mrv1813 07271812472D          

 16 17  0  0  0  0            999 V2000
    5.3117   -0.5672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5973   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    0.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683    1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    1.9078    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4538    1.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7394    1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7394    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4538    0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683   -1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973   -1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3117   -2.2172    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80772293

> <Analog_DSSTox_Structure_Id>
DTXCID10723036

> <Analog_Original_SMILES>
BrC1=C(C=CC=C1Br)OC1=CC=CC=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(C=CC=C1Br)OC1=CC=CC=C1Br

> <Analog_CASRN>
147217-74-1

> <Analog_preferred_name>
1,2-Dibromo-3-(2-bromophenoxy)benzene

> <Analog - index>
26|31|30|30|21

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.84|0.8118811881188119|0.8118811881188119|0.83|0.87

$$$$
DTXSID80775305
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    5.3613   -1.9279    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6469   -1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469   -0.6904    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9324   -1.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -1.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -0.6904    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179    0.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    0.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429   -0.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4554    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2804    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929   -0.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80775305

> <Analog_DSSTox_Structure_Id>
DTXCID70726048

> <Analog_Original_SMILES>
CC(C)OP(=O)(OCC(Cl)Cl)OC(C)C

> <Analog_Canonical_QSARr>
CC(C)OP(=O)(OCC(Cl)Cl)OC(C)C

> <Analog_CASRN>
183997-41-3

> <Analog_preferred_name>
2,2-Dichloroethyl dipropan-2-yl phosphate

> <Analog - index>
11|3|2|2

> <OFR_ID>
108|137|139|141

> <OFR_DTXSID>
DTXSID5021411|-|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|?|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|-|13674-87-8|13674-84-5

> <similarity>
0.9038461538461539|0.8148148148148148|0.9259259259259259|0.9433962264150944

$$$$
DTXSID80797784
  Mrv1813 07271812472D          

 10 11  0  0  0  0            999 V2000
    1.5362   -1.7531    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2507   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132    0.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132    0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80797784

> <Analog_DSSTox_Structure_Id>
DTXCID10748527

> <Analog_Original_SMILES>
ClCC12CCC(CC1)CC2

> <Analog_Canonical_QSARr>
ClCC12CCC(CC1)CC2

> <Analog_CASRN>
66618-90-4

> <Analog_preferred_name>
1-(Chloromethyl)bicyclo[2.2.2]octane

> <Analog - index>
198|198|141|129

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID80807872
  Mrv1813 07271812472D          

 13 12  0  0  0  0            999 V2000
    1.9203   -0.9581    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6347   -0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3492   -0.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -0.5456    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.7782   -0.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7782    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926    1.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926    1.9294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4762   -1.2601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3012   -1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7137   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387   -1.9746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    0.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80807872

> <Analog_DSSTox_Structure_Id>
DTXCID00758615

> <Analog_Original_SMILES>
O=P(CCBr)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
O=P(CCBr)(OCCCl)OCCCl

> <Analog_CASRN>
62516-54-5

> <Analog_preferred_name>
Bis(2-chloroethyl) (2-bromoethyl)phosphonate

> <Analog - index>
4

> <OFR_ID>
107

> <OFR_DTXSID>
DTXSID8027618

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6294-34-4

> <similarity>
0.8279569892473119

$$$$
DTXSID80822722
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    7.3657    1.3063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9381    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3670    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0815    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80822722

> <Analog_DSSTox_Structure_Id>
DTXCID00773464

> <Analog_Original_SMILES>
CCCCCCCCC(Cl)CCCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCC(Cl)CCCCCCCC

> <Analog_CASRN>
77900-43-7

> <Analog_preferred_name>
9-Chloroheptadecane

> <Analog - index>
139|139|69|57

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID80852064
  Mrv1813 07271812472D          

 24 24  0  0  0  0            999 V2000
    0.4890   -0.3069    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6325    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8864    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6009   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3153    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7443    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4588   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1732    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8877   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6022    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3166   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0311    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7456   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4600    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1745   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8890    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6035   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3179    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24  5  1  0  0  0  0
  4 24  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80852064

> <Analog_DSSTox_Structure_Id>
DTXCID60802805

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCC[C@H]1C[C@H]1CCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCC1CC1CCBr

> <Analog_CASRN>
59014-56-1

> <Analog_preferred_name>
(1S,2S)-1-(2-Bromoethyl)-2-octadecylcyclopropane

> <Analog - index>
106|130|130|111|160|158

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID80862522
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
   -0.6040   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8710   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960   -2.2539    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040    0.6039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80862522

> <Analog_DSSTox_Structure_Id>
DTXCID20811271

> <Analog_Original_SMILES>
O=P(OCCCCl)(OCCCCl)OCCCCl

> <Analog_Canonical_QSARr>
O=P(OCCCCl)(OCCCCl)OCCCCl

> <Analog_CASRN>
1067-98-7

> <Analog_preferred_name>
Tris(3-chloropropyl)phosphate

> <Analog - index>
8

> <OFR_ID>
138

> <OFR_DTXSID>
DTXSID7023805

> <OFR_PREFERRED_NAME>
TRIS(2,3-DICHLOROPROPYL)PHOSPHATE

> <OFR_CASRN>
78-43-3

> <similarity>
0.8493150684931506

$$$$
DTXSID80872267
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    5.1441   -5.6098    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4296   -5.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4296   -4.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -3.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -3.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007   -2.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -1.4848    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -0.6598    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5717   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -1.4848    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5717   -2.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -3.1348    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -3.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -3.9598    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0007   -4.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007   -5.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -6.4348    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17  4  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80872267

> <Analog_DSSTox_Structure_Id>
DTXCID70819868

> <Analog_Original_SMILES>
BrC1=CC(=CC=C1Br)OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1=CC(=CC=C1Br)OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
NOCAS_872267

> <Analog_preferred_name>
CERAPP_64870

> <Analog - index>
10|1|10|11|8|15|7|15|14

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8297872340425532|0.978494623655914|0.9263157894736842|0.90625|0.9263157894736842|0.8315789473684211|0.9479166666666666|0.8229166666666666|0.8315789473684211

$$$$
DTXSID80872641
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    2.8579    0.9652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.6848    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -0.9868    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    0.4422    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.1402    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  8 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80872641

> <Analog_DSSTox_Structure_Id>
DTXCID10820291

> <Analog_Original_SMILES>
ClCC(Cl)CCCCCC(Cl)CCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClCC(Cl)CCCCCC(Cl)CCC(Cl)(Cl)Cl

> <Analog_CASRN>
1644464-76-5

> <Analog_preferred_name>
1,1,1,4,10,11-Hexachloroundecane

> <Analog - index>
21|21|152|2

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.9|0.9487179487179487

$$$$
DTXSID80872661
  Mrv1813 07271812472D          

 30 29  0  0  0  0            999 V2000
   -0.6671   -0.9768    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6671   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2395    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9540   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6684    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3829   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0974    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8118   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5263    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2408   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3342    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0486    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7631    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1921    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9065    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6210    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3355    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -0.4538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3652    0.9752    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80872661

> <Analog_DSSTox_Structure_Id>
DTXCID90820310

> <Analog_Original_SMILES>
CCCCCCCCCCCCCC(Cl)(Cl)C(Cl)CCCCCCCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCC(Cl)(Cl)C(Cl)CCCCCCCCCCCC

> <Analog_CASRN>
861365-48-2

> <Analog_preferred_name>
13,14,14-Trichloroheptacosane

> <Analog - index>
84|84|164|162

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.8974358974358975|0.8974358974358975

$$$$
DTXSID80874069
  Mrv1813 07271812472D          

 17 18  0  0  0  0            999 V2000
    0.5666    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1641    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8831    0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8922   -0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286   -0.5706    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339   -1.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145   -2.1122    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9669    0.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0405    0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    0.3299    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    1.9379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4633   -0.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054   -1.3037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.4564    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    1.0007    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14  6  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  3 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80874069

> <Analog_DSSTox_Structure_Id>
DTXCID301012203

> <Analog_Original_SMILES>
ClC1(Cl)CC2C(Cl)C(Cl)C1(CCl)C2(CCl)CCl

> <Analog_Canonical_QSARr>
ClC1(Cl)CC2C(Cl)C(Cl)C1(CCl)C2(CCl)CCl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
14|14|199|198

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID80874140
  Mrv1813 07271812472D          

 18 20  0  0  0  0            999 V2000
    0.3013   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1606    1.4013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9129    1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9002   -0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    0.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2499   -0.2059    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    0.4887    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0102   -1.4718    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7237   -1.2404    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8905    0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    0.2036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    1.6630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9928    1.9105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 12  6  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80874140

> <Analog_DSSTox_Structure_Id>
DTXCID501012273

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)C=C(Cl)C1(Cl)C1C2C(Cl)C(Cl)C1Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)C=C(Cl)C1(Cl)C1C2C(Cl)C(Cl)C1Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
13|14

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.8384615384615385|0.8372093023255814

$$$$
DTXSID80877030
  Mrv1813 07271812472D          

 17 18  0  0  0  0            999 V2000
   -0.1681   -0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    1.9169    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5971    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115    1.0919    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5971   -0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826   -0.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826   -1.3831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464   -3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9753   -3.0331    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9753   -1.3831    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5464   -1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 10 17  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID80877030

> <Analog_DSSTox_Structure_Id>
DTXCID301015114

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1Br)OC1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1Br)OC1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
32|29|28|34|25

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8229166666666666|0.8125|0.8125|0.8125|0.8541666666666666

$$$$
DTXSID90151712
  Mrv1813 07271812442D          

  4  3  0  0  0  0            999 V2000
    3.7528   -0.5977    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5153    0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6903    0.1168    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90151712

> <Analog_DSSTox_Structure_Id>
DTXCID6074203

> <Analog_Original_SMILES>
[2H]C(Br)C([2H])([2H])Br

> <Analog_Canonical_QSARr>
BrCCBr

> <Analog_CASRN>
117164-17-7

> <Analog_preferred_name>
1,2-Dibromoethane-d3

> <Analog - index>
4|5

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
1.0|0.9090909090909091

$$$$
DTXSID90152365
  Mrv1813 07271812442D          

 18 19  0  0  0  0            999 V2000
    4.3490    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90152365

> <Analog_DSSTox_Structure_Id>
DTXCID9074856

> <Analog_Original_SMILES>
BrC1=CC(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(C2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=C1

> <Analog_CASRN>
119264-52-7

> <Analog_preferred_name>
1,1'-Biphenyl, 2,2',3,4,5',6-hexabromo-

> <Analog - index>
20|19|1|1|11|2|7

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.9047619047619048|0.9142857142857143|0.9811320754716981|0.9423076923076923|0.8857142857142857|0.9622641509433962|0.9245283018867925

$$$$
DTXSID90165915
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    2.7268    1.8772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489   -0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646   -0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047   -0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90165915

> <Analog_DSSTox_Structure_Id>
DTXCID6088406

> <Analog_Original_SMILES>
ClC1CCCCCCC1

> <Analog_Canonical_QSARr>
ClC1CCCCCCC1

> <Analog_CASRN>
1556-08-7

> <Analog_preferred_name>
Chlorocyclooctane

> <Analog - index>
199|199|142|130

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID90179113
  Mrv1813 07271812442D          

 11 11  0  0  0  0            999 V2000
    4.8210    0.4875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1065    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6776    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631    0.4875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6776   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920   -1.9875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1065   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90179113

> <Analog_DSSTox_Structure_Id>
DTXCID20101604

> <Analog_Original_SMILES>
OC1=C(Br)C=C(Br)C(O)=C1Br

> <Analog_Canonical_QSARr>
OC1=C(Br)C=C(Br)C(O)=C1Br

> <Analog_CASRN>
2437-49-2

> <Analog_preferred_name>
2,4,6-Tribromoresorcinol

> <Analog - index>
0

> <OFR_ID>
109

> <OFR_DTXSID>
DTXSID6021959

> <OFR_PREFERRED_NAME>
2,4,6-TRIBROMOPHENOL

> <OFR_CASRN>
118-79-6

> <similarity>
0.8823529411764706

$$$$
DTXSID90188689
  Mrv1813 07271812442D          

 19 20  0  0  0  0            999 V2000
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90188689

> <Analog_DSSTox_Structure_Id>
DTXCID00111180

> <Analog_Original_SMILES>
BrC1=C(C2C=CC=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(C2C=CC=C(Br)C=2Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
35194-78-6

> <Analog_preferred_name>
1,1'-Biphenyl, heptabromo-

> <Analog - index>
20|24|30|15|16|33|19|31|15

> <OFR_ID>
23|25|29|32|33|37|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3|69278-62-2

> <similarity>
0.81|0.8932038834951457|0.8846153846153846|0.9339622641509434|0.8942307692307693|0.8380952380952381|0.9150943396226415|0.8773584905660378|0.8181818181818182

$$$$
DTXSID90191754
  Mrv1813 07271812442D          

 17 18  0  0  0  0            999 V2000
    4.5078    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90191754

> <Analog_DSSTox_Structure_Id>
DTXCID30114245

> <Analog_Original_SMILES>
BrC1=C(C2C=CC=CC=2)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1=C(C2C=CC=CC=2)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
38421-62-4

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,4,5,6-pentabromo-

> <Analog - index>
45|47|47|50|39|39|13

> <OFR_ID>
25|29|32|33|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8252427184466019|0.8173076923076923|0.8679245283018868|0.8446601941747572|0.8235294117647058|0.8846153846153846|0.92

$$$$
DTXSID90193950
  Mrv1813 07271812442D          

  9 10  0  0  0  0            999 V2000
    1.7378   -1.7459    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7378   -0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441   -0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378    1.5541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0233    0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90193950

> <Analog_DSSTox_Structure_Id>
DTXCID30116441

> <Analog_Original_SMILES>
BrC12CC(Br)(CC1)CC2

> <Analog_Canonical_QSARr>
BrC12CC(Br)(CC1)CC2

> <Analog_CASRN>
40950-22-9

> <Analog_preferred_name>
1,4-Dibromonorbornane

> <Analog - index>
18

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8571428571428571

$$$$
DTXSID90214477
  Mrv1813 07271812452D          

 15 16  0  0  0  0            999 V2000
    4.5078   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90214477

> <Analog_DSSTox_Structure_Id>
DTXCID90136968

> <Analog_Original_SMILES>
BrC1C=CC=C(Br)C=1C1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC=C(Br)C=1C1C=CC(Br)=CC=1

> <Analog_CASRN>
64258-03-3

> <Analog_preferred_name>
1,1'-Biphenyl, 2,4',6-tribromo-

> <Analog - index>
62|47|37|57|50|22

> <OFR_ID>
32|33|37|40|43|46

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-|115245-07-3|92-66-0

> <similarity>
0.8018867924528302|0.8484848484848485|0.826530612244898|0.8173076923076923|0.8316831683168316|0.8275862068965517

$$$$
DTXSID90216951
  Mrv1813 07271812452D          

 15 16  0  0  0  0            999 V2000
    4.3173   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1739    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  2 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90216951

> <Analog_DSSTox_Structure_Id>
DTXCID20139442

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)C1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)C1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
6683-35-8

> <Analog_preferred_name>
1,1'-Biphenyl, 3,4,4'-tribromo-

> <Analog - index>
1|0|6|35

> <OFR_ID>
34|39|45|46

> <OFR_DTXSID>
-|DTXSID4074770|DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?|?|?

> <OFR_CASRN>
-|77102-82-0|92-86-4|92-66-0

> <similarity>
0.9523809523809523|0.9878048780487805|0.8518518518518519|0.8023255813953488

$$$$
DTXSID90227749
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    1.7391   -1.6272    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7391   -0.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247    0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016    0.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90227749

> <Analog_DSSTox_Structure_Id>
DTXCID90150240

> <Analog_Original_SMILES>
BrC12CCC(CC1)CC2

> <Analog_Canonical_QSARr>
BrC12CCC(CC1)CC2

> <Analog_CASRN>
7697-09-8

> <Analog_preferred_name>
Bicyclo(2.2.2)octane, 1-bromo-

> <Analog - index>
222|230|230|232|231|226

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID90231563
  Mrv1813 07271812452D          

  9  8  0  0  0  0            999 V2000
    1.6500   -0.0229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90231563

> <Analog_DSSTox_Structure_Id>
DTXCID20154054

> <Analog_Original_SMILES>
CCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCC(Cl)Cl

> <Analog_CASRN>
821-25-0

> <Analog_preferred_name>
1,1-Dichloroheptane

> <Analog - index>
247

> <OFR_ID>
95

> <OFR_DTXSID>
-

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
-

> <similarity>
0.8421052631578947

$$$$
DTXSID90233264
  Mrv1813 07271812452D          

 18 19  0  0  0  0            999 V2000
    4.5078   -0.7792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    1.6958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.5208    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.6958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.7792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.2542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90233264

> <Analog_DSSTox_Structure_Id>
DTXCID90155755

> <Analog_Original_SMILES>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C(Br)=C2)=C(Br)C=1

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(C2=CC(Br)=C(Br)C(Br)=C2)=C(Br)C=1

> <Analog_CASRN>
84303-48-0

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3',4,4',5',6-hexabromo-

> <Analog - index>
22|19|21|50|28|24|49|59|18

> <OFR_ID>
23|25|29|32|33|34|40|43|47

> <OFR_DTXSID>
-|DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|-|DTXSID80151024|DTXSID30219340

> <OFR_PREFERRED_NAME>
?|?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
-|67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|-|115245-07-3|69278-62-2

> <similarity>
0.8|0.9072164948453608|0.8979591836734694|0.839622641509434|0.87|0.8105263157894737|0.8380952380952381|0.8173076923076923|0.8085106382978723

$$$$
DTXSID9024015
  Mrv1813 07271812442D          

 15 16  0  0  0  0            999 V2000
    3.6141   -3.7385    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6141   -2.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286   -2.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286   -1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141   -0.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851    1.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7562    1.2115    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4707   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851   -0.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -2.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
  7 13  2  0  0  0  0
 14  5  2  0  0  0  0
 15 14  1  0  0  0  0
  2 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9024015

> <Analog_DSSTox_Structure_Id>
DTXCID704015

> <Analog_Original_SMILES>
BrC1C=CC(=CC=1)OC1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC(=CC=1)OC1C=CC(Br)=CC=1

> <Analog_CASRN>
2050-47-7

> <Analog_preferred_name>
4,4'-Dibromodiphenyl ether

> <Analog - index>
10|8|7

> <OFR_ID>
35|41|44

> <OFR_DTXSID>
DTXSID4052689|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
?|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-64-8|5436-43-1|41318-75-6

> <similarity>
0.8433734939759037|0.8554216867469879|0.8658536585365854

$$$$
DTXSID90242679
  Mrv1813 07271812452D          

 16 17  0  0  0  0            999 V2000
    4.1506    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4361   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7216    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4361   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90242679

> <Analog_DSSTox_Structure_Id>
DTXCID70165170

> <Analog_Original_SMILES>
BrC1C(Br)=C(C=CC=1Br)C1=CC(Br)=CC=C1

> <Analog_Canonical_QSARr>
BrC1C(Br)=C(C=CC=1Br)C1=CC(Br)=CC=C1

> <Analog_CASRN>
97038-99-8

> <Analog_preferred_name>
1,1'-Biphenyl, 2,3,3',4-tetrabromo-

> <Analog - index>
34|28|4|15|27|16|7|3

> <OFR_ID>
25|29|32|33|34|37|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|60044-25-9|-|115245-07-3

> <similarity>
0.8773584905660378|0.8867924528301887|0.9716981132075472|0.8962264150943396|0.8058252427184466|0.8761904761904762|0.9528301886792453|0.9519230769230769

$$$$
DTXSID90274172
  Mrv1813 07271812452D          

 13 12  0  0  0  0            999 V2000
    0.0000    2.8579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90274172

> <Analog_DSSTox_Structure_Id>
DTXCID80196571

> <Analog_Original_SMILES>
CC(CCl)OP(O)(=O)OC(C)CCl

> <Analog_Canonical_QSARr>
CC(CCl)OP(O)(=O)OC(C)CCl

> <Analog_CASRN>
789440-10-4

> <Analog_preferred_name>
bis(1-Chloropropan-2-yl) hydrogen phosphate

> <Analog - index>
21|7|7

> <OFR_ID>
108|139|141

> <OFR_DTXSID>
DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8275862068965517|0.8813559322033898|0.896551724137931

$$$$
DTXSID90275407
  Mrv1813 07271812452D          

 18 20  0  0  0  0            999 V2000
    1.5431    0.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212   -0.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110   -0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5553   -2.1183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574   -1.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4514   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6027    1.0230    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850    0.1175    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0706   -1.4442    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669   -1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -2.4039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844   -1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -1.5349    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0904   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8593    0.1371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 10  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90275407

> <Analog_DSSTox_Structure_Id>
DTXCID90226853

> <Analog_Original_SMILES>
OC1=CC(O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_Canonical_QSARr>
OC1CC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <Analog_CASRN>
39660-14-5

> <Analog_preferred_name>
AC1L1ZHW

> <Analog - index>
1

> <OFR_ID>
143

> <OFR_DTXSID>
DTXSID2020268

> <OFR_PREFERRED_NAME>
CHLORENDIC ACID

> <OFR_CASRN>
115-28-6

> <similarity>
0.8367346938775511

$$$$
DTXSID90275987
  Mrv1813 07271812452D          

 21 23  0  0  0  0            999 V2000
    4.9916   -1.4242    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0541   -0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6253   -0.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284   -0.1400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118   -1.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149   -0.9368    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1982   -1.9473    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0541    0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8936    1.9724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0574    0.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775    0.0934    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1997    0.2512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5656    0.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719    1.0329    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5656   -0.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3621   -0.5536    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11  8  1  0  0  0  0
  4 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15  2  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90275987

> <Analog_DSSTox_Structure_Id>
DTXCID70227348

> <Analog_Original_SMILES>
FC1(F)CC(C2CC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1(F)F

> <Analog_Canonical_QSARr>
FC1(F)CC(C2CC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1(F)F

> <Analog_CASRN>
19299-41-3

> <Analog_preferred_name>
Hostachem hoe-2838

> <Analog - index>
16|15

> <OFR_ID>
71|77

> <OFR_DTXSID>
-|DTXSID7027750

> <OFR_PREFERRED_NAME>
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-|1,4:7,10-DIMETHANODIBENZO[A,E]CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-

> <OFR_CASRN>
-|13560-89-9

> <similarity>
0.8188976377952756|0.832

$$$$
DTXSID90295483
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    2.6544   -1.5685    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -0.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9189   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683   -0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038   -0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394   -0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -0.5378    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3899   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394    0.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038    0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    0.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  2  1  0  0  0  0
 12 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
  6  9  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90295483

> <Analog_DSSTox_Structure_Id>
DTXCID80246621

> <Analog_Original_SMILES>
BrC12CC3(Br)CC(C1)CC(C2)C3

> <Analog_Canonical_QSARr>
BrC12CC3(Br)CC(C1)CC(C2)C3

> <Analog_CASRN>
876-53-9

> <Analog_preferred_name>
1,3-Dibromoadamantane

> <Analog - index>
119|143|143|1|30|177

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.925|0.8809523809523809|0.8809523809523809|1.0|0.8809523809523809|0.8571428571428571

$$$$
DTXSID90301513
  Mrv1813 07271812452D          

 11 12  0  0  0  0            999 V2000
    1.8181   -1.8299    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7518   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649   -0.9046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.6630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7518    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8181    1.5883    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0373    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373   -0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662   -0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90301513

> <Analog_DSSTox_Structure_Id>
DTXCID40252647

> <Analog_Original_SMILES>
ClC1(Cl)C2(Cl)CCC1(Cl)CC2

> <Analog_Canonical_QSARr>
ClC1(Cl)C2(Cl)CCC1(Cl)CC2

> <Analog_CASRN>
18214-92-1

> <Analog_preferred_name>
1,4,7,7-tetrachlorobicyclo[2.2.1]heptane

> <Analog - index>
214|214

> <OFR_ID>
3|21

> <OFR_DTXSID>
DTXSID30860639|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]

> <OFR_CASRN>
1852481-27-6|-

> <similarity>
0.8292682926829268|0.8292682926829268

$$$$
DTXSID90302065
  Mrv1813 07271812452D          

  9 10  0  0  0  0            999 V2000
    1.5675   -0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    0.6320    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8123   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90302065

> <Analog_DSSTox_Structure_Id>
DTXCID40253199

> <Analog_Original_SMILES>
BrC1(Br)C2CCCCC12

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCCCC12

> <Analog_CASRN>
2415-79-4

> <Analog_preferred_name>
7,7-Dibromobicyclo[4.1.0]heptane

> <Analog - index>
223|231|231|233|232|227

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID90304408
  Mrv1813 07271812452D          

 12 12  0  0  0  0            999 V2000
    3.6743    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9599    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5309    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5309    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90304408

> <Analog_DSSTox_Structure_Id>
DTXCID70255540

> <Analog_Original_SMILES>
COC(=O)C(Br)C1CCCCC1

> <Analog_Canonical_QSARr>
COC(=O)C(Br)C1CCCCC1

> <Analog_CASRN>
58851-63-1

> <Analog_preferred_name>
methyl 2-bromo-2-cyclohexylacetate

> <Analog - index>
9

> <OFR_ID>
120

> <OFR_DTXSID>
DTXSID9052715

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
5445-19-2

> <similarity>
0.8433734939759037

$$$$
DTXSID90311475
  Mrv1813 07271812452D          

 10 10  0  0  0  0            999 V2000
    3.2452    1.8448    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5273    1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    0.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    0.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826   -0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115   -0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    0.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    0.9263    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90311475

> <Analog_DSSTox_Structure_Id>
DTXCID00262601

> <Analog_Original_SMILES>
BrCC1(CCCCC1)CBr

> <Analog_Canonical_QSARr>
BrCC1(CCCCC1)CBr

> <Analog_CASRN>
21623-88-1

> <Analog_preferred_name>
1,1-bis(bromomethyl)cyclohexane

> <Analog - index>
224|234

> <OFR_ID>
2|20

> <OFR_DTXSID>
DTXSID70180181|DTXSID20891513

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|HEXABROMOCYCLODODECANE

> <OFR_CASRN>
25495-98-1|1093632-34-8

> <similarity>
0.8421052631578947|0.8205128205128205

$$$$
DTXSID90323750
  Mrv1813 07271812452D          

 33 32  0  0  0  0            999 V2000
    1.6493    0.1937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7927   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9361    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6506   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0795   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9374   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3664   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0808    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5098    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2243   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9387    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6532   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3677    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0821   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7966    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5111   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2256    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9400   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6545    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3690   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0834    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7979   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5124    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90323750

> <Analog_DSSTox_Structure_Id>
DTXCID20274867

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
7596-92-1

> <Analog_preferred_name>
1-Bromodotriacontane

> <Analog - index>
107|131|131|112|161|159

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90336800
  Mrv1813 07271812452D          

 13 12  0  0  0  0            999 V2000
    6.3219    1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3219    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4653    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90336800

> <Analog_DSSTox_Structure_Id>
DTXCID90287888

> <Analog_Original_SMILES>
CCCCCCC(CCCBr)CBr

> <Analog_Canonical_QSARr>
CCCCCCC(CCCBr)CBr

> <Analog_CASRN>
61639-11-0

> <Analog_preferred_name>
Decane, 1-bromo-4-(bromomethyl)-

> <Analog - index>
126|24|24|12|41|35

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9230769230769231|0.925|0.925|0.9487179487179487|0.8780487804878049|0.9

$$$$
DTXSID90338021
  Mrv1813 07271812452D          

 28 27  0  0  0  0            999 V2000
    1.6496   -0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0799    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5088    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2233   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9378    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6522   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0812   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7956    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5101   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2246    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9391   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6535    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3680   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0825    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7969   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5114    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2259   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9404    0.2062    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90338021

> <Analog_DSSTox_Structure_Id>
DTXCID70289108

> <Analog_Original_SMILES>
BrCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
BrCCCCCCCCCCCCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
143389-26-8

> <Analog_preferred_name>
Hexacosane, 1,26-dibromo-

> <Analog - index>
108|132|132|113|162|160

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90343610
  Mrv1813 07271812452D          

 12 14  0  0  0  0            999 V2000
    4.6578   -0.0278    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8328   -0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8361   -1.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331   -0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8361    1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506    0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934   -0.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237   -1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90343610

> <Analog_DSSTox_Structure_Id>
DTXCID40294688

> <Analog_Original_SMILES>
BrC12CC3CC(C1)CCC(C3)C2

> <Analog_Canonical_QSARr>
BrC12CC3CC(C1)CCC(C3)C2

> <Analog_CASRN>
21898-96-4

> <Analog_preferred_name>
1-Bromohomoadamantane

> <Analog - index>
109|133|133|114|163|161

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90378689
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    4.9284   -1.5879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2139   -2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994   -1.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994   -0.7629    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850    1.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3244   -0.7629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7369   -0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5619   -0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3244    0.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744   -0.7629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  4 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90378689

> <Analog_DSSTox_Structure_Id>
DTXCID30329716

> <Analog_Original_SMILES>
CC(C)OP(=O)(CCCl)OC(C)C

> <Analog_Canonical_QSARr>
CC(C)OP(=O)(CCCl)OC(C)C

> <Analog_CASRN>
25131-74-2

> <Analog_preferred_name>
Diisopropyl-(2-chloroethyl)-phosphonate

> <Analog - index>
5

> <OFR_ID>
107

> <OFR_DTXSID>
DTXSID8027618

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6294-34-4

> <similarity>
0.8255813953488372

$$$$
DTXSID90382746
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    2.6237   -1.6012    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -0.3637    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527    0.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527    0.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672    1.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672    2.1113    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7507   -1.0782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757   -1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882   -1.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8132   -1.7927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.3507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  2  0  0  0  0
  2 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90382746

> <Analog_DSSTox_Structure_Id>
DTXCID70333771

> <Analog_Original_SMILES>
C=C(Br)P(=O)(OCCCl)OCCCl

> <Analog_Canonical_QSARr>
C=C(Br)P(=O)(OCCCl)OCCCl

> <Analog_CASRN>
55952-55-1

> <Analog_preferred_name>
Phosphonic acid, (1-bromoethenyl)-, bis(2-chloroethyl) ester

> <Analog - index>
2

> <OFR_ID>
105

> <OFR_DTXSID>
DTXSID9051589

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
115-98-0

> <similarity>
0.8068181818181818

$$$$
DTXSID90391959
  Mrv1813 07271812462D          

 28 27  0  0  0  0            999 V2000
   10.9370   -0.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9370    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2225    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7936    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0791    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3646    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9357    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2212    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7923    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6515    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3659    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0804    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7949    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5093    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2238    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9383    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6528    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3672    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0817    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7962    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5106    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2251    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90391959

> <Analog_DSSTox_Structure_Id>
DTXCID90342820

> <Analog_Original_SMILES>
CCCCCCCCCCCCCC(Br)CCCCCCCCCCCCC

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCC(Br)CCCCCCCCCCCCC

> <Analog_CASRN>
61660-48-8

> <Analog_preferred_name>
Heptacosane, 14-bromo-

> <Analog - index>
110|134|134|115|164|162

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90447445
  Mrv1813 07271812462D          

 17 16  0  0  0  0            999 V2000
    3.7935   -0.7697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.3572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.6592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90447445

> <Analog_DSSTox_Structure_Id>
DTXCID90398266

> <Analog_Original_SMILES>
CCCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Cl)CC(Cl)(Cl)Cl

> <Analog_CASRN>
67095-50-5

> <Analog_preferred_name>
1,1,1,3-tetrachlorotridecane

> <Analog - index>
85|85|24|163

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8780487804878049|0.8780487804878049|0.9473684210526315|0.8974358974358975

$$$$
DTXSID90451648
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    2.8948    1.7335    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342    1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90451648

> <Analog_DSSTox_Structure_Id>
DTXCID80402467

> <Analog_Original_SMILES>
CC(C)C1CCC(C)(Cl)CC1

> <Analog_Canonical_QSARr>
CC(C)C1CCC(C)(Cl)CC1

> <Analog_CASRN>
65744-48-1

> <Analog_preferred_name>
1-Chloro-1-methyl-4-(propan-2-yl)cyclohexane

> <Analog - index>
236|233

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID90452711
  Mrv1813 07271812462D          

 10 11  0  0  0  0            999 V2000
    1.3903   -0.5106    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9205    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    0.7534    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    0.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843    0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843   -0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -0.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90452711

> <Analog_DSSTox_Structure_Id>
DTXCID80403530

> <Analog_Original_SMILES>
BrC1(Br)[C@@H]2CCCCC[C@H]12

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCCCCC12

> <Analog_CASRN>
52750-35-3

> <Analog_preferred_name>
CTK1G2157

> <Analog - index>
154|176|176|159|63|57

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID90464874
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    3.2088   -1.4063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    2.3062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -2.2313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90464874

> <Analog_DSSTox_Structure_Id>
DTXCID80415693

> <Analog_Original_SMILES>
ClC1=CC=C(C=C1)C(Br)CBr

> <Analog_Canonical_QSARr>
ClC1=CC=C(C=C1)C(Br)CBr

> <Analog_CASRN>
23135-16-2

> <Analog_preferred_name>
1-Chloro-4-(1,2-dibromoethyl)benzene

> <Analog - index>
12

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8041237113402062

$$$$
DTXSID90507593
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    1.6497    0.6482    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.4788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7767    0.9502    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90507593

> <Analog_DSSTox_Structure_Id>
DTXCID00458401

> <Analog_Original_SMILES>
CCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCC(Cl)(Cl)Cl

> <Analog_CASRN>
653573-22-9

> <Analog_preferred_name>
1,1,1-Trichloroundecane

> <Analog - index>
215|215|182|180

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8292682926829268|0.8292682926829268|0.8947368421052632|0.8947368421052632

$$$$
DTXSID90509178
  Mrv1813 07271812462D          

 10 11  0  0  0  0            999 V2000
    1.3903   -0.5106    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9205    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    0.7534    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    0.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843    0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843   -0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -0.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90509178

> <Analog_DSSTox_Structure_Id>
DTXCID70459985

> <Analog_Original_SMILES>
BrC1(Br)C2CCCCCC12

> <Analog_Canonical_QSARr>
BrC1(Br)C2CCCCCC12

> <Analog_CASRN>
7124-41-6

> <Analog_preferred_name>
8,8-Dibromobicyclo[5.1.0]octane

> <Analog - index>
155|177|177|160|64|58

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID90510209
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    1.6500    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90510209

> <Analog_DSSTox_Structure_Id>
DTXCID00461016

> <Analog_Original_SMILES>
CC(C)CCC[C@H](C)CCBr

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCBr

> <Analog_CASRN>
79434-89-2

> <Analog_preferred_name>
(3S)-1-Bromo-3,7-dimethyloctane

> <Analog - index>
156|178|178|161|65|59

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID90514626
  Mrv1813 07271812462D          

  4  3  0  0  0  0            999 V2000
    3.7526   -0.3572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901    0.3572    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90514626

> <Analog_DSSTox_Structure_Id>
DTXCID00465433

> <Analog_Original_SMILES>
Br[14CH2][14CH2]Br

> <Analog_Canonical_QSARr>
BrCCBr

> <Analog_CASRN>
22712-78-3

> <Analog_preferred_name>
1,2-Dibromo(~14~C_2_)ethane

> <Analog - index>
5|6

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
1.0|0.9090909090909091

$$$$
DTXSID9051581
  Mrv1813 07271812442D          

 11 10  0  0  0  0            999 V2000
    0.6983   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5562   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2706   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6996   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4141   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1285   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -0.4162    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9051581

> <Analog_DSSTox_Structure_Id>
DTXCID3030133

> <Analog_Original_SMILES>
CCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCBr

> <Analog_CASRN>
112-29-8

> <Analog_preferred_name>
1-Bromodecane

> <Analog - index>
111|135|135|116|165|163

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90526087
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.6501    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90526087

> <Analog_DSSTox_Structure_Id>
DTXCID50476892

> <Analog_Original_SMILES>
CC(C)CCC[C@@H](C)CBr

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CBr

> <Analog_CASRN>
60610-07-3

> <Analog_preferred_name>
(2R)-1-Bromo-2,6-dimethylheptane

> <Analog - index>
225|232|232|235|233|228

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID90526805
  Mrv1813 07271812462D          

 17 16  0  0  0  0            999 V2000
    6.6514    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3494   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1744   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5869    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.5869   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8244   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6494   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5244    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6994    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4619    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90526805

> <Analog_DSSTox_Structure_Id>
DTXCID80477610

> <Analog_Original_SMILES>
CCCCC(Br)CC(Br)(Br)CC(Br)CCCC

> <Analog_Canonical_QSARr>
CCCCC(Br)CC(Br)(Br)CC(Br)CCCC

> <Analog_CASRN>
90278-15-2

> <Analog_preferred_name>
5,7,7,9-Tetrabromotridecane

> <Analog - index>
15|34|34|3|71|69

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9487179487179487|0.9024390243902439|0.9024390243902439|0.9743589743589743|0.8571428571428571|0.8780487804878049

$$$$
DTXSID9052688
  Mrv1813 07271812442D          

 17 18  0  0  0  0            999 V2000
    3.4530    0.1914    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7386   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    1.0164    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3096   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3096   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -2.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7386   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7386   -3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1675   -3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820   -3.9336    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1675   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -1.4586    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7386   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17  7  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9052688

> <Analog_DSSTox_Structure_Id>
DTXCID3031286

> <Analog_Original_SMILES>
BrC1=CC(Br)=C(C=C1)OC1=CC(Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(Br)=C(C=C1)OC1=CC(Br)=C(Br)C=C1

> <Analog_CASRN>
189084-61-5

> <Analog_preferred_name>
2,3',4,4'-Tetrabromodiphenyl ether (BDE 66)

> <Analog - index>
18|6|11|9|3|7|3|5|4

> <OFR_ID>
24|26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID9047548|DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER|2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
85446-17-9|189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8020833333333334|0.9473684210526315|0.9166666666666666|0.9166666666666666|0.9368421052631579|0.8617021276595744|0.9789473684210527|0.8723404255319149|0.8817204301075269

$$$$
DTXSID90532921
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    4.2480   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6441    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9941    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90532921

> <Analog_DSSTox_Structure_Id>
DTXCID20483710

> <Analog_Original_SMILES>
CC(C)(C)[C@@H]1CCC[C@H](Cl)C1

> <Analog_Canonical_QSARr>
CC(C)(C)C1CCCC(Cl)C1

> <Analog_CASRN>
20259-34-1

> <Analog_preferred_name>
(1R,3S)-1-tert-Butyl-3-chlorocyclohexane

> <Analog - index>
200|200|143|131

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.918918918918919|0.918918918918919

$$$$
DTXSID90533019
  Mrv1813 07271812462D          

 12 14  0  0  0  0            999 V2000
    2.9276   -1.2245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5099   -0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8572    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790    0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046    0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    0.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    1.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5389    0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6122   -0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606   -0.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  2  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90533019

> <Analog_DSSTox_Structure_Id>
DTXCID90483808

> <Analog_Original_SMILES>
CC1(Br)C2(CC2)C21CCCCC2

> <Analog_Canonical_QSARr>
CC1(Br)C2(CC2)C21CCCCC2

> <Analog_CASRN>
88672-80-4

> <Analog_preferred_name>
10-Bromo-10-methyldispiro[2.0.5~4~.1~3~]decane

> <Analog - index>
112|136|136|117|166|164

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90541391
  Mrv1813 07271812462D          

  9  9  0  0  0  0            999 V2000
    1.8086   -1.8104    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5231   -1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5231   -0.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5231    1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5231    1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8086    0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8086   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90541391

> <Analog_DSSTox_Structure_Id>
DTXCID50492178

> <Analog_Original_SMILES>
CC1CCC(CBr)CC1

> <Analog_Canonical_QSARr>
CC1CCC(CBr)CC1

> <Analog_CASRN>
78507-26-3

> <Analog_preferred_name>
1-(Bromomethyl)-4-methylcyclohexane

> <Analog - index>
226|233|233|236|234|229

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8421052631578947|0.8|0.8|0.8205128205128205|0.8|0.8205128205128205

$$$$
DTXSID90545531
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    1.2214    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5082    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2226    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9371    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2226   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90545531

> <Analog_DSSTox_Structure_Id>
DTXCID70496315

> <Analog_Original_SMILES>
CC(C)CCCCCCBr

> <Analog_Canonical_QSARr>
CC(C)CCCCCCBr

> <Analog_CASRN>
54088-99-2

> <Analog_preferred_name>
1-Bromo-7-methyloctane

> <Analog - index>
157|179|179|162|66|60

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID90547191
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    5.2872    0.3187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5728   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5728   -0.9188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8583    0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294   -1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  5 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90547191

> <Analog_DSSTox_Structure_Id>
DTXCID40497975

> <Analog_Original_SMILES>
CC1=CC=CC=C1C=C(Br)Br

> <Analog_Canonical_QSARr>
CC1=CC=CC=C1C=C(Br)Br

> <Analog_CASRN>
104464-03-1

> <Analog_preferred_name>
1-(2,2-Dibromoethenyl)-2-methylbenzene

> <Analog - index>
1

> <OFR_ID>
133

> <OFR_DTXSID>
DTXSID8073471

> <OFR_PREFERRED_NAME>
Benzene, dibromoethenyl-

> <OFR_CASRN>
31780-26-4

> <similarity>
0.8783783783783784

$$$$
DTXSID90558141
  Mrv1813 07271812462D          

 11 11  0  0  0  0            999 V2000
    1.7799   -2.2313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90558141

> <Analog_DSSTox_Structure_Id>
DTXCID70508922

> <Analog_Original_SMILES>
CC1CCC(CC1)C(C)CBr

> <Analog_Canonical_QSARr>
CC1CCC(CC1)C(C)CBr

> <Analog_CASRN>
89471-55-6

> <Analog_preferred_name>
1-(1-Bromopropan-2-yl)-4-methylcyclohexane

> <Analog - index>
158|180|180|163|67|61

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID90560805
  Mrv1813 07271812462D          

 15 14  0  0  0  0            999 V2000
    1.5068    0.2063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9358    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3647    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7937    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2226    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9371    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6515    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3660    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6515   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7937   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9358   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 14  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90560805

> <Analog_DSSTox_Structure_Id>
DTXCID80511583

> <Analog_Original_SMILES>
CC(C)CCCC(C)CCCC(C)CBr

> <Analog_Canonical_QSARr>
CC(C)CCCC(C)CCCC(C)CBr

> <Analog_CASRN>
54154-22-2

> <Analog_preferred_name>
1-Bromo-2,6,10-trimethylundecane

> <Analog - index>
113|137|137|118|167|165

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90564661
  Mrv1813 07271812462D          

 45 48  0  0  0  0            999 V2000
    6.2426   -0.4937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137    0.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137    1.9813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3848    1.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3848    2.8063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6703    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    1.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    2.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6703    3.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908    3.3050    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6703    4.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3848    4.4563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    4.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    5.2813    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    4.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    4.4563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    3.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    2.8063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6703    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    0.3313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3848    0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3848   -0.4937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0992   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2787   -0.9925    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0992   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3848   -2.1437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8137   -2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137   -2.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -3.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -4.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137   -4.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2426   -4.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2426   -5.4437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   -4.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6716   -4.6187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   -3.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6716   -2.9687    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2426   -2.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2426   -2.1437    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487   -1.6450    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  2  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 10  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  2  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27  3  1  0  0  0  0
 27 28  1  0  0  0  0
 29 27  2  0  0  0  0
 29 30  1  0  0  0  0
 31 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  2  0  0  0  0
 34 35  1  0  0  0  0
 36 34  1  0  0  0  0
 36 37  1  0  0  0  0
 38 36  2  0  0  0  0
 38 39  1  0  0  0  0
 40 38  1  0  0  0  0
 40 41  1  0  0  0  0
 42 40  2  0  0  0  0
 33 42  1  0  0  0  0
 42 43  1  0  0  0  0
 44 31  2  0  0  0  0
  2 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90564661

> <Analog_DSSTox_Structure_Id>
DTXCID50515437

> <Analog_Original_SMILES>
BrC1C(OC2=C(Br)C(Br)=C(OC3=C(Br)C(Br)=C(OC4=C(Br)C(Br)=C(Br)C(Br)=C4Br)C(Br)=C3Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C(OC2=C(Br)C(Br)=C(OC3=C(Br)C(Br)=C(OC4=C(Br)C(Br)=C(Br)C(Br)=C4Br)C(Br)=C3Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
131644-78-5

> <Analog_preferred_name>
1,1'-{Oxybis[(2,3,5,6-tetrabromo-4,1-phenylene)oxy]}bis(pentabromobenzene)

> <Analog - index>
0|0

> <OFR_ID>
13|72

> <OFR_DTXSID>
DTXSID9020376|DTXSID8047507

> <OFR_PREFERRED_NAME>
BIS(PENTABROMOPHENYL) ETHER|TETRADECABROMO-1,4-DIPHENOXYBENZENE

> <OFR_CASRN>
1163-19-5|58965-66-5

> <similarity>
0.8939393939393939|1.0

$$$$
DTXSID90573051
  Mrv1813 07271812462D          

 11 12  0  0  0  0            999 V2000
    5.8607    0.0006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0357    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438   -0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734   -0.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777   -0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
  2 11  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90573051

> <Analog_DSSTox_Structure_Id>
DTXCID80523823

> <Analog_Original_SMILES>
BrC1C=CC2=CC=CC2=CC=1

> <Analog_Canonical_QSARr>
BrC1C=CC2=CC=CC2=CC=1

> <Analog_CASRN>
35046-05-0

> <Analog_preferred_name>
6-Bromoazulene

> <Analog - index>
9|4

> <OFR_ID>
45|46

> <OFR_DTXSID>
DTXSID1059072|DTXSID4024640

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
92-86-4|92-66-0

> <similarity>
0.8414634146341463|0.9024390243902439

$$$$
DTXSID90573490
  Mrv1813 07271812462D          

 16 17  0  0  0  0            999 V2000
    4.5080   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  5 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90573490

> <Analog_DSSTox_Structure_Id>
DTXCID10524262

> <Analog_Original_SMILES>
BrC1=CC(OC2C=CC(Br)=CC=2)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(OC2C=CC(Br)=CC=2)=C(Br)C=C1

> <Analog_CASRN>
65075-08-3

> <Analog_preferred_name>
1,4-Dibromo-2-(4-bromophenoxy)benzene

> <Analog - index>
22|23|20|21|21|19|20|19

> <OFR_ID>
26|27|30|31|35|36|41|44

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID4052689|DTXSID9030048|DTXSID3030056|DTXSID4052710

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|?|PENTABROMODIPHENYL ETHER|2,2',4,4'-TETRABROMODIPHENYL ETHER|?

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|189084-64-8|60348-60-9|5436-43-1|41318-75-6

> <similarity>
0.8686868686868687|0.84|0.8585858585858586|0.8585858585858586|0.8041237113402062|0.898989898989899|0.8144329896907216|0.8229166666666666

$$$$
DTXSID90574427
  Mrv1813 07271812462D          

  8  9  0  0  0  0            999 V2000
    1.1292   -0.1672    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480    0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335    0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335   -0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480   -0.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90574427

> <Analog_DSSTox_Structure_Id>
DTXCID70525199

> <Analog_Original_SMILES>
ClC1C2CCC1CC2

> <Analog_Canonical_QSARr>
ClC1C2CCC1CC2

> <Analog_CASRN>
765-80-0

> <Analog_preferred_name>
7-Chlorobicyclo[2.2.1]heptane

> <Analog - index>
237|234

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID90577711
  Mrv1813 07271812462D          

 15 16  0  0  0  0            999 V2000
    5.8416   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1272   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5548    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  6 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
  2 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90577711

> <Analog_DSSTox_Structure_Id>
DTXCID10528482

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1)OC1C=CC(Br)=CC=1

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1)OC1C=CC(Br)=CC=1

> <Analog_CASRN>
83694-71-7

> <Analog_preferred_name>
1-Bromo-3-(4-bromophenoxy)benzene

> <Analog - index>
37

> <OFR_ID>
36

> <OFR_DTXSID>
DTXSID9030048

> <OFR_PREFERRED_NAME>
PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
60348-60-9

> <similarity>
0.8181818181818182

$$$$
DTXSID90583892
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6499   -0.0159    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9367   -0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6512   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3656   -0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7946   -0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5091   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2235   -0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90583892

> <Analog_DSSTox_Structure_Id>
DTXCID40534657

> <Analog_Original_SMILES>
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCBr

> <Analog_CASRN>
204259-66-5

> <Analog_preferred_name>
1-Bromo(~2~H_25_)dodecane

> <Analog - index>
114|138|138|119|168|166

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90583918
  Mrv1813 07271812462D          

  3  2  0  0  0  0            999 V2000
    2.0928    0.2750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90583918

> <Analog_DSSTox_Structure_Id>
DTXCID50534683

> <Analog_Original_SMILES>
[13CH3]CBr

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
117890-45-6

> <Analog_preferred_name>
Bromo(2-~13~C)ethane

> <Analog - index>
15|15

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID90584001
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    1.6501   -0.5009    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5093   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90584001

> <Analog_DSSTox_Structure_Id>
DTXCID70534766

> <Analog_Original_SMILES>
[2H]C([2H])(CCCCCCCCCCC)C([2H])([2H])Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCBr

> <Analog_CASRN>
284474-45-9

> <Analog_preferred_name>
1-Bromo(1,1,2,2-~2~H_4_)tridecane

> <Analog - index>
115|139|139|120|169|167

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90584021
  Mrv1813 07271812462D          

  3  2  0  0  0  0            999 V2000
    1.6500   -0.1030    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90584021

> <Analog_DSSTox_Structure_Id>
DTXCID70534786

> <Analog_Original_SMILES>
[2H]C([2H])C([2H])([2H])Br

> <Analog_Canonical_QSARr>
CCBr

> <Analog_CASRN>
25854-32-4

> <Analog_preferred_name>
Bromo(1,1,2,2-~2~H_4_)ethane

> <Analog - index>
16|16

> <OFR_ID>
97|98

> <OFR_DTXSID>
DTXSID1026083|DTXSID8025830

> <OFR_PREFERRED_NAME>
?|?

> <OFR_CASRN>
79-27-6|75-95-6

> <similarity>
0.9090909090909091|0.8181818181818182

$$$$
DTXSID90584460
  Mrv1813 07271812462D          

 11 10  0  0  0  0            999 V2000
    1.6499   -0.0187    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9367   -0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6512   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657   -0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7946   -0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90584460

> <Analog_DSSTox_Structure_Id>
DTXCID40535225

> <Analog_Original_SMILES>
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCBr

> <Analog_CASRN>
98195-39-2

> <Analog_preferred_name>
1-Bromo(~2~H_21_)decane

> <Analog - index>
116|140|140|121|170|168

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID90594887
  Mrv1813 07271812462D          

 13 12  0  0  0  0            999 V2000
    1.6495    0.1745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3639   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9363    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2231    0.1745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90594887

> <Analog_DSSTox_Structure_Id>
DTXCID70545650

> <Analog_Original_SMILES>
ClCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCCl

> <Analog_CASRN>
822-07-1

> <Analog_preferred_name>
1,11-Dichloroundecane

> <Analog - index>
140|140|70|58

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID90595652
  Mrv1813 07271812462D          

 10  9  0  0  0  0            999 V2000
    4.5078    1.1963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.3713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90595652

> <Analog_DSSTox_Structure_Id>
DTXCID20546415

> <Analog_Original_SMILES>
CCCCC(Cl)CCCCl

> <Analog_Canonical_QSARr>
CCCCC(Cl)CCCCl

> <Analog_CASRN>
56375-92-9

> <Analog_preferred_name>
1,4-Dichlorooctane

> <Analog - index>
141|141|183|59

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.8947368421052632|0.9459459459459459

$$$$
DTXSID9060073
  Mrv1813 07271812442D          

 12 12  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9060073

> <Analog_DSSTox_Structure_Id>
DTXCID3040647

> <Analog_Original_SMILES>
OC1C(Br)=C(Br)C(Br)=C(Br)C=1O

> <Analog_Canonical_QSARr>
OC1C(Br)=C(Br)C(Br)=C(Br)C=1O

> <Analog_CASRN>
488-47-1

> <Analog_preferred_name>
1,2-Benzenediol, 3,4,5,6-tetrabromo-

> <Analog - index>
0

> <OFR_ID>
117

> <OFR_DTXSID>
DTXSID9022079

> <OFR_PREFERRED_NAME>
PENTABROMOPHENOL

> <OFR_CASRN>
608-71-9

> <similarity>
0.8913043478260869

$$$$
DTXSID9060449
  Mrv1813 07271812442D          

  8  8  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9060449

> <Analog_DSSTox_Structure_Id>
DTXCID4042541

> <Analog_Original_SMILES>
OC1=CC(Br)=CC=C1

> <Analog_Canonical_QSARr>
OC1=CC(Br)=CC=C1

> <Analog_CASRN>
591-20-8

> <Analog_preferred_name>
Phenol, 3-bromo-

> <Analog - index>
16

> <OFR_ID>
110

> <OFR_DTXSID>
DTXSID1052290

> <OFR_PREFERRED_NAME>
2,4-DIBROMOPHENOL

> <OFR_CASRN>
615-58-7

> <similarity>
0.8064516129032258

$$$$
DTXSID90605083
  Mrv1813 07271812462D          

 14 13  0  0  0  0            999 V2000
    5.8482   -2.7259    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1337   -2.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1337   -1.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482   -1.0759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193   -1.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193   -0.2509    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193    0.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7048    0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903    0.5741    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7048    1.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903    2.2241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2443   -0.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6568    0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943   -0.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90605083

> <Analog_DSSTox_Structure_Id>
DTXCID20555840

> <Analog_Original_SMILES>
COP(=O)(OC(F)CCl)OC(F)CCl

> <Analog_Canonical_QSARr>
COP(=O)(OC(F)CCl)OC(F)CCl

> <Analog_CASRN>
62576-32-3

> <Analog_preferred_name>
Bis(2-chloro-1-fluoroethyl) methyl phosphate

> <Analog - index>
10|5|11|11

> <OFR_ID>
106|108|139|141

> <OFR_DTXSID>
DTXSID0026258|DTXSID5021411|DTXSID9026261|DTXSID5026259

> <OFR_PREFERRED_NAME>
?|TRIS(2-CHLOROETHYL) PHOSPHATE|TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE|TRIS(2-CHLOROISOPROPYL)PHOSPHATE

> <OFR_CASRN>
140-08-9|115-96-8|13674-87-8|13674-84-5

> <similarity>
0.8076923076923077|0.9230769230769231|0.8421052631578947|0.8571428571428571

$$$$
DTXSID90610576
  Mrv1813 07271812462D          

 25 29  0  0  0  0            999 V2000
    3.1299   -2.4927    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -1.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443   -0.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588   -0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733   -0.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588   -1.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299    0.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443    1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733    1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588    0.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154   -0.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7009   -1.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865   -0.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7009   -0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 10 19  2  0  0  0  0
 20  9  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90610576

> <Analog_DSSTox_Structure_Id>
DTXCID30561331

> <Analog_Original_SMILES>
BrC1C2=CC=CC=C2C(C2=CC=CC3=CC=CC=C32)=C2C=CC=CC2=1

> <Analog_Canonical_QSARr>
BrC1C2=CC=CC=C2C(C2=CC=CC3=CC=CC=C32)=C2C=CC=CC2=1

> <Analog_CASRN>
400607-04-7

> <Analog_preferred_name>
9-Bromo-10-(naphthalen-1-yl)anthracene

> <Analog - index>
15

> <OFR_ID>
46

> <OFR_DTXSID>
DTXSID4024640

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
92-66-0

> <similarity>
0.8571428571428571

$$$$
DTXSID9061170
  Mrv1813 07271812442D          

 14 13  0  0  0  0            999 V2000
    9.7603    3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0458    3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3313    3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6169    3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024    3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1879    3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4734    3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7590    3.5726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4747    3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892    3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9037    3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6182    3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0471    3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9061170

> <Analog_DSSTox_Structure_Id>
DTXCID9048277

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCl

> <Analog_CASRN>
822-13-9

> <Analog_preferred_name>
Tridecane, 1-chloro-

> <Analog - index>
142|142|71|60

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID9062225
  Mrv1813 07271812442D          

 12 11  0  0  0  0            999 V2000
    3.5210    2.8578    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6644    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0933    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8078    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2367    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6657    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2703    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9062225

> <Analog_DSSTox_Structure_Id>
DTXCID8036520

> <Analog_Original_SMILES>
ClCCCCCCCCCCCl

> <Analog_Canonical_QSARr>
ClCCCCCCCCCCCl

> <Analog_CASRN>
2162-98-3

> <Analog_preferred_name>
Decane, 1,10-dichloro-

> <Analog - index>
143|143|72|61

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.875|0.875|0.9459459459459459|0.9459459459459459

$$$$
DTXSID9066461
  Mrv1813 07271812442D          

  9  8  0  0  0  0            999 V2000
    2.6664    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915    0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9066461

> <Analog_DSSTox_Structure_Id>
DTXCID8036025

> <Analog_Original_SMILES>
OCC(CBr)(CO)CO

> <Analog_Canonical_QSARr>
OCC(CBr)(CO)CO

> <Analog_CASRN>
19184-65-7

> <Analog_preferred_name>
1,3-Propanediol, 2-(bromomethyl)-2-(hydroxymethyl)-

> <Analog - index>
1|11

> <OFR_ID>
101|102

> <OFR_DTXSID>
DTXSID9020164|DTXSID9024641

> <OFR_PREFERRED_NAME>
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL|3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
3296-90-0|1522-92-5

> <similarity>
0.9629629629629629|0.8518518518518519

$$$$
DTXSID90669943
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    3.2088   -1.4063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    2.3062    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -2.2313    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90669943

> <Analog_DSSTox_Structure_Id>
DTXCID10620692

> <Analog_Original_SMILES>
FC1=CC=C(C=C1)C(Br)CBr

> <Analog_Canonical_QSARr>
FC1=CC=C(C=C1)C(Br)CBr

> <Analog_CASRN>
350-35-6

> <Analog_preferred_name>
1-(1,2-Dibromoethyl)-4-fluorobenzene

> <Analog - index>
8

> <OFR_ID>
135

> <OFR_DTXSID>
DTXSID7052735

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
93-52-7

> <similarity>
0.8681318681318682

$$$$
DTXSID90700608
  Mrv1813 07271812472D          

 16 16  0  0  0  0            999 V2000
    3.3091    1.3769    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8394    0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697    1.3769    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8975    1.1254    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6170    0.9825    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4105    0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960   -0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105   -0.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394   -0.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90700608

> <Analog_DSSTox_Structure_Id>
DTXCID20651356

> <Analog_Original_SMILES>
BrC1(Br)CCCCCCCCCCC1(Br)Br

> <Analog_Canonical_QSARr>
BrC1(Br)CCCCCCCCCCC1(Br)Br

> <Analog_CASRN>
30178-92-8

> <Analog_preferred_name>
1,1,2,2-Tetrabromocyclododecane

> <Analog - index>
10|25|25|131|42|36

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.925|0.925|0.9|0.8780487804878049|0.9

$$$$
DTXSID90704681
  Mrv1813 07271812472D          

 10 10  0  0  0  0            999 V2000
    4.3411    0.3748    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7578   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7942   -1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   -1.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609   -1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7942    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077    0.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243    1.3852    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90704681

> <Analog_DSSTox_Structure_Id>
DTXCID10655429

> <Analog_Original_SMILES>
BrCCC1(CCBr)CCC1

> <Analog_Canonical_QSARr>
BrCCC1(CCBr)CCC1

> <Analog_CASRN>
1232431-78-5

> <Analog_preferred_name>
1,1-Bis(2-bromoethyl)cyclobutane

> <Analog - index>
13

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8787878787878788

$$$$
DTXSID90709494
  Mrv1813 07271812472D          

 24 24  0  0  0  0            999 V2000
    4.0912   -0.3094    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8057    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057   -1.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057   -2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912   -3.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768   -4.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347   -1.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9491   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3781   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0925    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8070   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5215    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9491   -1.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9491    1.3406    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    2.1656    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8057    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912    1.3406    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  2  0  0  0  0
 11  3  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 19 11  1  0  0  0  0
 19 20  1  0  0  0  0
 21 19  2  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  0  0  0  0
  2 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90709494

> <Analog_DSSTox_Structure_Id>
DTXCID80660242

> <Analog_Original_SMILES>
CCCCOC(=O)C1=C(C(Br)=C(Br)C(Br)=C1Br)C(=O)OCCCC

> <Analog_Canonical_QSARr>
CCCCOC(=O)C1=C(C(Br)=C(Br)C(Br)=C1Br)C(=O)OCCCC

> <Analog_CASRN>
109210-62-0

> <Analog_preferred_name>
Dibutyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate

> <Analog - index>
2

> <OFR_ID>
94

> <OFR_DTXSID>
DTXSID7027887

> <OFR_PREFERRED_NAME>
BIS(2-ETHYLHEXYL) TETRABROMOPHTHALATE

> <OFR_CASRN>
26040-51-7

> <similarity>
0.8757396449704142

$$$$
DTXSID90732464
  Mrv1813 07271812472D          

  5  4  0  0  0  0            999 V2000
    4.2340   -0.8574    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8215   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590    0.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90732464

> <Analog_DSSTox_Structure_Id>
DTXCID70683208

> <Analog_Original_SMILES>
[2H]C([2H])(C([2H])([2H])O)C([2H])([2H])Br

> <Analog_Canonical_QSARr>
OCCCBr

> <Analog_CASRN>
284474-43-7

> <Analog_preferred_name>
3-Bromo(~2~H_6_)propan-1-ol

> <Analog - index>
12

> <OFR_ID>
102

> <OFR_DTXSID>
DTXSID9024641

> <OFR_PREFERRED_NAME>
3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL

> <OFR_CASRN>
1522-92-5

> <similarity>
0.8518518518518519

$$$$
DTXSID90736326
  Mrv1813 07271812432D          

 11 11  0  0  0  0            999 V2000
    3.2352    2.2601    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871    0.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726    0.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726   -0.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871   -0.7972    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    2.9871   -1.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015   -0.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015    0.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568    1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6443    1.3416    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  1   6   1
M  END
> <Analog_dsstox_substance_id>
DTXSID90736326

> <Analog_DSSTox_Structure_Id>
DTXCID80687070

> <Analog_Original_SMILES>
O=[P+]1OCC(CO1)(CBr)CBr

> <Analog_Canonical_QSARr>
O=[P+]1OCC(CO1)(CBr)CBr

> <Analog_CASRN>
66063-50-1

> <Analog_preferred_name>
5,5-Bis(bromomethyl)-2-oxo-1,3,2-dioxaphosphinan-2-ium

> <Analog - index>
0

> <OFR_ID>
66

> <OFR_DTXSID>
DTXSID0058691

> <OFR_PREFERRED_NAME>
1-PROPANOL, 3-BROMO-2,2-BIS(BROMOMETHYL)-, 1,1',1''-PHOSPHATE

> <OFR_CASRN>
19186-97-1

> <similarity>
0.864406779661017

$$$$
DTXSID90745670
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
    2.0929    0.3882    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8074   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0942   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2376    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9521   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6666    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3811   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0955    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8100   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5245    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90745670

> <Analog_DSSTox_Structure_Id>
DTXCID70696414

> <Analog_Original_SMILES>
[2H]C([2H])([2H])CCCCCCCCCCCCCCCBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCBr

> <Analog_CASRN>
284474-40-4

> <Analog_preferred_name>
1-Bromo(16,16,16-~2~H_3_)hexadecane

> <Analog - index>
117|141|141|122|171|169

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9473684210526315|0.9|0.9|0.9230769230769231|0.8536585365853658|0.875

$$$$
DTXSID9074775
  Mrv1813 07271812442D          

 21 22  0  0  0  0            999 V2000
    2.0915    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    1.6029    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6626    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519    0.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7664    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809    1.6029    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953   -0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9098   -0.8721    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809   -0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809   -1.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7664   -0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519   -0.8721    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6626   -0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   -1.2133    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3770   -0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770   -1.6971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0915   -0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060   -0.8721    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16  4  2  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9074775

> <Analog_DSSTox_Structure_Id>
DTXCID4033423

> <Analog_Original_SMILES>
BrC1C(OC2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C(OC2=C(Br)C(Br)=C(Br)C=C2Br)=C(Br)C=C(Br)C=1Br

> <Analog_CASRN>
117964-21-3

> <Analog_preferred_name>
PBDE 197

> <Analog - index>
37|20|22|23|39

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8191489361702128|0.8681318681318682|0.8478260869565217|0.8478260869565217|0.8125

$$$$
DTXSID9075111
  Mrv1813 07271812442D          

  9  9  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID9075111

> <Analog_DSSTox_Structure_Id>
DTXCID5035290

> <Analog_Original_SMILES>
BrCCC1CCCCC1

> <Analog_Canonical_QSARr>
BrCCC1CCCCC1

> <Analog_CASRN>
1647-26-3

> <Analog_preferred_name>
Cyclohexane, (2-bromoethyl)-

> <Analog - index>
159|181|181|164|68|62

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9210526315789473|0.875|0.875|0.8974358974358975|0.875|0.8974358974358975

$$$$
DTXSID90769376
  Mrv1813 07271812472D          

 12 11  0  0  0  0            999 V2000
    4.5079    0.8938    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8938    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.8938    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.0688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90769376

> <Analog_DSSTox_Structure_Id>
DTXCID40720119

> <Analog_Original_SMILES>
ClC(CC(Cl)CCl)CC(Cl)CCl

> <Analog_Canonical_QSARr>
ClC(CC(Cl)CCl)CC(Cl)CCl

> <Analog_CASRN>
139029-86-0

> <Analog_preferred_name>
1,2,4,6,7-Pentachloroheptane

> <Analog - index>
32|32|240|238

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|0.85|0.85

$$$$
DTXSID90770326
  Mrv1813 07271812472D          

  9  9  0  0  0  0            999 V2000
    3.1102   -1.1377    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9669   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544    0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    0.9195    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    0.9195    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422   -0.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742   -0.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494   -0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90770326

> <Analog_DSSTox_Structure_Id>
DTXCID80721069

> <Analog_Original_SMILES>
CCCC1(Br)CC1(Br)Br

> <Analog_Canonical_QSARr>
CCCC1(Br)CC1(Br)Br

> <Analog_CASRN>
141493-80-3

> <Analog_preferred_name>
1,1,2-Tribromo-2-propylcyclopropane

> <Analog - index>
8

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.9090909090909091

$$$$
DTXSID90777592
  Mrv1813 07271812472D          

 17 16  0  0  0  0            999 V2000
   10.7634    1.1322    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.9934    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3518    0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819    1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9403    0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1703    0.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5287    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588    0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1172    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472    0.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7056    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9357    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8825   -0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4801    0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8385   -0.4237    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90777592

> <Analog_DSSTox_Structure_Id>
DTXCID20728335

> <Analog_Original_SMILES>
CCCCCCCCCCCCC(CBr)CBr

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCC(CBr)CBr

> <Analog_CASRN>
10395-10-5

> <Analog_preferred_name>
1-Bromo-2-(bromomethyl)tetradecane

> <Analog - index>
11|146|146|13|182|180

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.9736842105263158|0.8780487804878049|0.8780487804878049|0.9487179487179487|0.8333333333333334|0.8536585365853658

$$$$
DTXSID90782202
  Mrv1813 07271812472D          

 20 19  0  0  0  0            999 V2000
    5.8098    0.8382    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2223    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6348   -0.5907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9368    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6513    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3657    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0802    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5091    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2236    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5078   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953    0.4257    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9203   -1.0032    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7934   -0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3809    0.0132    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2059   -1.4157    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0789   -1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3644   -1.5262    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6664   -0.3993    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4914   -1.8282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90782202

> <Analog_DSSTox_Structure_Id>
DTXCID50732945

> <Analog_Original_SMILES>
CCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl

> <Analog_CASRN>
219697-11-7

> <Analog_preferred_name>
1,1,1,2,2,3,3,4,4-Nonachloroundecane

> <Analog - index>
46|46|203|204

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9024390243902439|0.9024390243902439|0.875|0.875

$$$$
DTXSID90785354
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    5.4606   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4606   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90785354

> <Analog_DSSTox_Structure_Id>
DTXCID80736097

> <Analog_Original_SMILES>
BrC1C=C(Br)C(Br)=C(OC2=CC=CC=C2Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(Br)C(Br)=C(OC2=CC=CC=C2Br)C=1Br

> <Analog_CASRN>
446254-60-0

> <Analog_preferred_name>
1,2,4,5-Tetrabromo-3-(2-bromophenoxy)benzene

> <Analog - index>
16|26|31|22|22

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.8969072164948454|0.83|0.8118811881188119|0.8484848484848485|0.87

$$$$
DTXSID90785697
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    5.7940   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0795   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6506   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0795   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90785697

> <Analog_DSSTox_Structure_Id>
DTXCID70736440

> <Analog_Original_SMILES>
BrC1=CC(=CC(Br)=C1)OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1=CC(=CC(Br)=C1)OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
407578-53-4

> <Analog_preferred_name>
1,2,3,4,5-Pentabromo-6-(3,5-dibromophenoxy)benzene

> <Analog - index>
3

> <OFR_ID>
24

> <OFR_DTXSID>
DTXSID9047548

> <OFR_PREFERRED_NAME>
OCTABROMODIPHENYL ETHER

> <OFR_CASRN>
85446-17-9

> <similarity>
0.872093023255814

$$$$
DTXSID90785733
  Mrv1813 07271812472D          

 20 21  0  0  0  0            999 V2000
    5.6511    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222    2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0788    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0788    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2222   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222   -2.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90785733

> <Analog_DSSTox_Structure_Id>
DTXCID80736476

> <Analog_Original_SMILES>
BrC1=CC(OC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)=C(Br)C=C1

> <Analog_Canonical_QSARr>
BrC1=CC(OC2C(Br)=C(Br)C(Br)=C(Br)C=2Br)=C(Br)C=C1

> <Analog_CASRN>
405237-86-7

> <Analog_preferred_name>
1,2,3,4,5-Pentabromo-6-(2,5-dibromophenoxy)benzene

> <Analog - index>
8|13|12|14|17

> <OFR_ID>
26|27|30|31|36

> <OFR_DTXSID>
DTXSID60583561|DTXSID8052693|DTXSID4030047|DTXSID3052692|DTXSID9030048

> <OFR_PREFERRED_NAME>
2,2',3,4,4',5,6-Heptabromodiphenyl ether|2,2',3,4,4',5',6-heptabromodiphenyl ether|?|?|PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
189084-67-1|207122-16-5|68631-49-2|207122-15-4|60348-60-9

> <similarity>
0.9381443298969072|0.8888888888888888|0.8888888888888888|0.8888888888888888|0.91

$$$$
DTXSID90786265
  Mrv1813 07271812432D          

 13 12  0  0  0  0            999 V2000
    1.2097    0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3847    0.0511    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3847    0.8761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    1.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136    2.5261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3847   -0.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442   -1.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442   -2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827   -1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  2 13  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90786265

> <Analog_DSSTox_Structure_Id>
DTXCID20737008

> <Analog_Original_SMILES>
CCC(C)(C)OP([O-])(=O)OCCCl

> <Analog_Canonical_QSARr>
CCC(C)(C)OP(O)(=O)OCCCl

> <Analog_CASRN>
494201-57-9

> <Analog_preferred_name>
2-Chloroethyl 2-methylbutan-2-yl phosphate

> <Analog - index>
8

> <OFR_ID>
140

> <OFR_DTXSID>
DTXSID3027615

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
6145-73-9

> <similarity>
0.8378378378378378

$$$$
DTXSID90786669
  Mrv1813 07271812472D          

 19 19  0  0  0  0            999 V2000
    2.9079   -0.7762    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257    1.2630    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    1.0435    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8132   -0.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3402    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0546   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7691    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1981    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6270    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3415   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0559    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7704   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4849    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1994   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9138    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90786669

> <Analog_DSSTox_Structure_Id>
DTXCID70737412

> <Analog_Original_SMILES>
CCCCCCCCCCCCCC1(Br)CC1(Br)Br

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCC1(Br)CC1(Br)Br

> <Analog_CASRN>
439098-76-7

> <Analog_preferred_name>
1,1,2-Tribromo-2-tridecylcyclopropane

> <Analog - index>
1|35|35|20|72|70

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
1.0|0.9024390243902439|0.9024390243902439|0.925|0.8571428571428571|0.8780487804878049

$$$$
DTXSID90787474
  Mrv1813 07271812472D          

 11 11  0  0  0  0            999 V2000
    4.2480    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9941    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6441    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90787474

> <Analog_DSSTox_Structure_Id>
DTXCID20738217

> <Analog_Original_SMILES>
Cl[C@@H]1CCCC[C@@H]1C(Cl)(Cl)Cl

> <Analog_Canonical_QSARr>
ClC1CCCCC1C(Cl)(Cl)Cl

> <Analog_CASRN>
55756-67-7

> <Analog_preferred_name>
(1R,2S)-1-Chloro-2-(trichloromethyl)cyclohexane

> <Analog - index>
218

> <OFR_ID>
67

> <OFR_DTXSID>
DTXSID10872457

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]

> <OFR_CASRN>
NOCAS_872457

> <similarity>
0.868421052631579

$$$$
DTXSID90794421
  Mrv1813 07271812472D          

 22 24  0  0  0  0            999 V2000
    4.3779   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6634   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9490   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490   -3.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6634   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3779   -2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
  8 13  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
  4 15  1  0  0  0  0
 16  3  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 17  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
  2 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90794421

> <Analog_DSSTox_Structure_Id>
DTXCID80745164

> <Analog_Original_SMILES>
BrC1C=C(C2C=CC(=CC=2)C2C=CC=CC=2)C(Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C2C=CC(=CC=2)C2C=CC=CC=2)C(Br)=C(Br)C=1Br

> <Analog_CASRN>
64661-62-7

> <Analog_preferred_name>
1~2~,1~3~,1~4~,1~5~-Tetrabromo-1~1~,2~1~:2~4~,3~1~-terphenyl

> <Analog - index>
44|59|40|33|5

> <OFR_ID>
32|33|37|40|43

> <OFR_DTXSID>
DTXSID50218113|DTXSID9074771|DTXSID5074769|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|?|?|?|?

> <OFR_CASRN>
67888-96-4|59080-39-6|60044-25-9|-|115245-07-3

> <similarity>
0.8771929824561403|0.8230088495575221|0.8198198198198198|0.8928571428571429|0.9259259259259259

$$$$
DTXSID90797013
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
    5.4605    0.1278    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315    0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315    0.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171    2.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315    2.6028    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    2.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881    2.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736    2.6028    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8881    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -2.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4605   -1.5222    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90797013

> <Analog_DSSTox_Structure_Id>
DTXCID50747756

> <Analog_Original_SMILES>
OC1C=CC(OC2C=CC(Br)=CC=2Br)=C(Br)C=1Br

> <Analog_Canonical_QSARr>
OC1C=CC(OC2C=CC(Br)=CC=2Br)=C(Br)C=1Br

> <Analog_CASRN>
602326-22-7

> <Analog_preferred_name>
2,3-Dibromo-4-(2,4-dibromophenoxy)phenol

> <Analog - index>
35

> <OFR_ID>
36

> <OFR_DTXSID>
DTXSID9030048

> <OFR_PREFERRED_NAME>
PENTABROMODIPHENYL ETHER

> <OFR_CASRN>
60348-60-9

> <similarity>
0.8245614035087719

$$$$
DTXSID90811662
  Mrv1813 07271812472D          

 15 14  0  0  0  0            999 V2000
    5.6673   -3.7908    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6673   -2.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528   -2.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528   -1.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2383   -1.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2383   -0.4908    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2383    0.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5238    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5238    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094    1.9842    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0633   -0.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4758    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3008    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7133   -0.4908    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4133   -0.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 15  2  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90811662

> <Analog_DSSTox_Structure_Id>
DTXCID50762404

> <Analog_Original_SMILES>
O=P(OCCCl)(OCCBr)OCCCBr

> <Analog_Canonical_QSARr>
O=P(OCCCl)(OCCBr)OCCCBr

> <Analog_CASRN>
62125-02-4

> <Analog_preferred_name>
2-Bromoethyl 3-bromopropyl 2-chloroethyl phosphate

> <Analog - index>
6

> <OFR_ID>
136

> <OFR_DTXSID>
DTXSID5021413

> <OFR_PREFERRED_NAME>
TRIS(2,3-DIBROMOPROPYL) PHOSPHATE

> <OFR_CASRN>
126-72-7

> <similarity>
0.8045977011494253

$$$$
DTXSID90812790
  Mrv1813 07271812472D          

  7  8  0  0  0  0            999 V2000
    3.9355   -1.1233    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2210   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  3  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90812790

> <Analog_DSSTox_Structure_Id>
DTXCID50763532

> <Analog_Original_SMILES>
BrC1CC1C1CC1

> <Analog_Canonical_QSARr>
BrC1CC1C1CC1

> <Analog_CASRN>
61975-82-4

> <Analog_preferred_name>
2-Bromo-1,1'-bi(cyclopropane)

> <Analog - index>
39

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8484848484848485

$$$$
DTXSID90818499
  Mrv1813 07271812472D          

 12 13  0  0  0  0            999 V2000
    2.2879    0.5047    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0023    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    0.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9231   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168   -1.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4313   -0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4313    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458    0.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0023   -0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    1.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90818499

> <Analog_DSSTox_Structure_Id>
DTXCID00769241

> <Analog_Original_SMILES>
CC1(C)C(Br)C2(C)CC1CC2C

> <Analog_Canonical_QSARr>
CC1(C)C(Br)C2(C)CC1CC2C

> <Analog_CASRN>
61314-60-1

> <Analog_preferred_name>
2-Bromo-1,3,3,6-tetramethylbicyclo[2.2.1]heptane

> <Analog - index>
180|193|193|186|205|200

> <OFR_ID>
2|4|19|20|128|129

> <OFR_DTXSID>
DTXSID70180181|-|DTXSID4027527|DTXSID20891513|DTXSID8024947|DTXSID0052750

> <OFR_PREFERRED_NAME>
Cyclodecane, hexabromo-|?|1,2,5,6,9,10-HEXABROMOCYCLODODECANE|HEXABROMOCYCLODODECANE|1,2-DIBROMO-4-(1,2-DIBROMOETHYL)CYCLOHEXANE|1,2,5,6-TETRABROMOCYCLOOCTANE

> <OFR_CASRN>
25495-98-1|-|3194-55-6|1093632-34-8|3322-93-8|3194-57-8

> <similarity>
0.8947368421052632|0.85|0.85|0.8717948717948718|0.8048780487804879|0.825

$$$$
DTXSID90819522
  Mrv1813 07271812472D          

 16 19  0  0  0  0            999 V2000
    3.4164    0.8297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4120    0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232    0.6791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3993   -0.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1352   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7204   -0.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5842    0.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856   -0.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725   -0.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911   -0.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805   -0.2304    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1700    0.6322    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  6 11  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90819522

> <Analog_DSSTox_Structure_Id>
DTXCID30770264

> <Analog_Original_SMILES>
ClC1(Cl)C2CC3C4CC(CCC4)C3(Cl)C12Cl

> <Analog_Canonical_QSARr>
ClC1(Cl)C2CC3C4CC(CCC4)C3(Cl)C12Cl

> <Analog_CASRN>
61215-08-5

> <Analog_preferred_name>
1,1,1a,1b-Tetrachlorodecahydro-1H-2,6-methanocyclopropa[a]azulene

> <Analog - index>
22|22|239|236

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.8536585365853658|0.8536585365853658

$$$$
DTXSID90824499
  Mrv1813 07271812472D          

 10  9  0  0  0  0            999 V2000
    4.5079    1.1963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.3713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90824499

> <Analog_DSSTox_Structure_Id>
DTXCID00775241

> <Analog_Original_SMILES>
ClC(CCCCl)CCCCl

> <Analog_Canonical_QSARr>
ClC(CCCCl)CCCCl

> <Analog_CASRN>
762-22-1

> <Analog_preferred_name>
1,4,7-Trichloroheptane

> <Analog - index>
201|201|219|132

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.85|0.85|0.868421052631579|0.918918918918919

$$$$
DTXSID90825603
  Mrv1813 07271812472D          

 29 31  0  0  0  0            999 V2000
    4.5077    0.7681    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    1.5931    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    2.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    3.2431    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    3.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    4.0681    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    2.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    3.2431    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    1.5931    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -1.7069    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -2.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -3.3569    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -3.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -4.1819    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -2.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -3.3569    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -1.7069    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 19  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  2  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  0  0  0  0
 27 25  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 17  2  0  0  0  0
  2 29  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90825603

> <Analog_DSSTox_Structure_Id>
DTXCID10776345

> <Analog_Original_SMILES>
BrC1C=C(C=CC=1C1=C(Br)C(Br)=C(Br)C(Br)=C1Br)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_Canonical_QSARr>
BrC1C=C(C=CC=1C1=C(Br)C(Br)=C(Br)C(Br)=C1Br)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br

> <Analog_CASRN>
70910-54-2

> <Analog_preferred_name>
1~2~,1~3~,1~4~,1~5~,1~6~,2~2~,3~2~,3~3~,3~4~,3~5~,3~6~-Undecabromo-1~1~,2~1~:2~4~,3~1~-terphenyl

> <Analog - index>
29|31|45|54|48|58

> <OFR_ID>
25|29|32|33|40|43

> <OFR_DTXSID>
DTXSID70218014|DTXSID70858838|DTXSID50218113|DTXSID9074771|-|DTXSID80151024

> <OFR_PREFERRED_NAME>
?|2,2',4,4',5,5'-HEXABROMOBIPHENYL|?|?|?|?

> <OFR_CASRN>
67733-52-2|59080-40-9|67888-96-4|59080-39-6|-|115245-07-3

> <similarity>
0.8857142857142857|0.8773584905660378|0.8738738738738738|0.8348623853211009|0.8558558558558559|0.8198198198198198

$$$$
DTXSID90835101
  Mrv1813 07271812472D          

  9  8  0  0  0  0            999 V2000
    1.9674    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6818    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8252    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5397    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542    0.6188    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1108   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90835101

> <Analog_DSSTox_Structure_Id>
DTXCID80785843

> <Analog_Original_SMILES>
CC(Br)CC(C)CCBr

> <Analog_Canonical_QSARr>
CC(Br)CC(C)CCBr

> <Analog_CASRN>
83278-47-1

> <Analog_preferred_name>
1,5-Dibromo-3-methylhexane

> <Analog - index>
14

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8787878787878788

$$$$
DTXSID90842254
  Mrv1813 07271812472D          

 12 11  0  0  0  0            999 V2000
    5.8181    1.2376    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8181    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1036    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2457    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    0.4126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5325    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9615    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760    0.4126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90842254

> <Analog_DSSTox_Structure_Id>
DTXCID80792996

> <Analog_Original_SMILES>
ClC(CCCCl)CCCCCCl

> <Analog_Canonical_QSARr>
ClC(CCCCl)CCCCCCl

> <Analog_CASRN>
927-29-7

> <Analog_preferred_name>
1,4,9-Trichlorononane

> <Analog - index>
33|33|165|9

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|0.8974358974358975|0.9473684210526315

$$$$
DTXSID90851129
  Mrv1813 07271812472D          

 20 20  0  0  0  0            999 V2000
    2.8289   -1.9594    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1145   -1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5434   -0.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6868   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4013   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8302   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5447   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2592   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289    0.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290   -0.3094    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  1  0  0  0  0
  4 15  2  0  0  0  0
 16  3  1  0  0  0  0
 17 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
  2 20  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90851129

> <Analog_DSSTox_Structure_Id>
DTXCID80801870

> <Analog_Original_SMILES>
CCCCCCC[C@H](C)OC(=O)C1C=C(Br)C=CC=1Br

> <Analog_Canonical_QSARr>
CCCCCCCC(C)OC(=O)C1C=C(Br)C=CC=1Br

> <Analog_CASRN>
518015-85-5

> <Analog_preferred_name>
(2S)-Nonan-2-yl 2,5-dibromobenzoate

> <Analog - index>
1

> <OFR_ID>
64

> <OFR_DTXSID>
DTXSID9052686

> <OFR_PREFERRED_NAME>
BENZOIC ACID, 2,3,4,5-TETRABROMO-, 2-ETHYLHEXYL ESTER

> <OFR_CASRN>
183658-27-7

> <similarity>
0.8342245989304813

$$$$
DTXSID90871226
  Mrv1813 07271812472D          

  8  8  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90871226

> <Analog_DSSTox_Structure_Id>
DTXCID30818897

> <Analog_Original_SMILES>
CC1CC(Br)CCC1

> <Analog_Canonical_QSARr>
CC1CC(Br)CCC1

> <Analog_CASRN>
NOCAS_871226

> <Analog_preferred_name>
CERAPP_58283

> <Analog - index>
58

> <OFR_ID>
113

> <OFR_DTXSID>
DTXSID4052687

> <OFR_PREFERRED_NAME>
?

> <OFR_CASRN>
1837-91-8

> <similarity>
0.8

$$$$
DTXSID90871362
  Mrv1813 07271812472D          

  8  9  0  0  0  0            999 V2000
   -0.6025   -0.4895    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1119   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1119    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90871362

> <Analog_DSSTox_Structure_Id>
DTXCID40819032

> <Analog_Original_SMILES>
ClC1CC2CC1CC2

> <Analog_Canonical_QSARr>
ClC1CC2CC1CC2

> <Analog_CASRN>
NOCAS_871362

> <Analog_preferred_name>
CERAPP_58778

> <Analog - index>
238|235

> <OFR_ID>
67|95

> <OFR_DTXSID>
DTXSID10872457|-

> <OFR_PREFERRED_NAME>
PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
NOCAS_872457|-

> <similarity>
0.8648648648648649|0.8648648648648649

$$$$
DTXSID90872632
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
    2.1432   -0.6201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1432    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4287    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437   -0.6201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2871    0.6174    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -0.6201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.6201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8576    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5721    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2866    0.6174    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5721   -0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
  4 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90872632

> <Analog_DSSTox_Structure_Id>
DTXCID60820281

> <Analog_Original_SMILES>
CC(Cl)CC(Cl)CC(Cl)CC(Cl)CC(Cl)CCCl

> <Analog_Canonical_QSARr>
CC(Cl)CC(Cl)CC(Cl)CC(Cl)CC(Cl)CCCl

> <Analog_CASRN>
136671-00-6

> <Analog_preferred_name>
1,3,5,7,9,11-Hexachlorododecane

> <Analog - index>
34|34|3|10

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.925|0.925|1.0|0.9473684210526315

$$$$
DTXSID90872637
  Mrv1813 07271812472D          

 18 17  0  0  0  0            999 V2000
   -3.2152   -1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6442   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    0.2063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    1.0313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
  9 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90872637

> <Analog_DSSTox_Structure_Id>
DTXCID60820286

> <Analog_Original_SMILES>
ClC(CC(Cl)CCC(Cl)CCl)CCCC(Cl)CCl

> <Analog_Canonical_QSARr>
ClC(CC(Cl)CCC(Cl)CCl)CCCC(Cl)CCl

> <Analog_CASRN>
1428966-55-5

> <Analog_preferred_name>
1,2,6,7,11,12-Hexachlordodecane

> <Analog - index>
2|2|76|64

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
1.0|1.0|0.925|0.925

$$$$
DTXSID90872657
  Mrv1813 07271812472D          

 22 21  0  0  0  0            999 V2000
   -7.1447   -0.1312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.3687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90872657

> <Analog_DSSTox_Structure_Id>
DTXCID60820307

> <Analog_Original_SMILES>
CCCCCCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_Canonical_QSARr>
CCCCCCCCCCCCCCCCCCCC(Cl)Cl

> <Analog_CASRN>
62017-22-5

> <Analog_preferred_name>
1,1-Dichloroicosane

> <Analog - index>
163|163|108|97

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.8536585365853658|0.8536585365853658|0.9210526315789473|0.9210526315789473

$$$$
DTXSID90874055
  Mrv1813 07271812472D          

 18 19  0  0  0  0            999 V2000
   -0.2255    0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989    0.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    1.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979    2.4323    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6926    1.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219    1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219    0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011   -0.1233    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6926   -0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8774   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620   -1.6972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4071    0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4071    1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179    1.6786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9805   -0.4389    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2773    0.4145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    1.9244    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -0.3982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
  6 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90874055

> <Analog_DSSTox_Structure_Id>
DTXCID801012189

> <Analog_Original_SMILES>
ClC1(Cl)C(Cl)C2C(Cl)C(Cl)C1(CCl)C2(CCl)CCl

> <Analog_Canonical_QSARr>
ClC1(Cl)C(Cl)C2C(Cl)C(Cl)C1(CCl)C2(CCl)CCl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
15|15|200|199

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.9512195121951219|0.9512195121951219|0.8780487804878049|0.8780487804878049

$$$$
DTXSID90874070
  Mrv1813 07271812472D          

 17 18  0  0  0  0            999 V2000
    0.6187    1.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879    0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492   -0.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -1.2592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0817    1.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672    0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672   -0.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134   -1.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924   -2.0186    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8098   -2.1574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7962   -0.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7962    0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624   -0.7356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6647    0.1472    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3948    1.7543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5612    0.7816    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90874070

> <Analog_DSSTox_Structure_Id>
DTXCID001012204

> <Analog_Original_SMILES>
CC1(CCl)C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
CC1(CCl)C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
23|23|153|140

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.9|0.9

$$$$
DTXSID90874151
  Mrv1813 07271812472D          

 19 20  0  0  0  0            999 V2000
    0.3255    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    2.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6420    1.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412    0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251   -1.0469    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7446   -1.3057    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7259    1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2440    1.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    1.8727    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416    1.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2249    2.6833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    1.2291    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2222    0.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1521   -0.1526    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7587    0.6709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5209    1.5801    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9831    2.4182    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15  5  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
> <Analog_dsstox_substance_id>
DTXSID90874151

> <Analog_DSSTox_Structure_Id>
DTXCID801012284

> <Analog_Original_SMILES>
ClCC1(C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_Canonical_QSARr>
ClCC1(C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl)C(Cl)Cl

> <Analog_CASRN>


> <Analog_preferred_name>


> <Analog - index>
24|24|154|141

> <OFR_ID>
3|21|67|95

> <OFR_DTXSID>
DTXSID30860639|-|DTXSID10872457|-

> <OFR_PREFERRED_NAME>
ALKANES, C10-13, CHLORO [C10 Shown]|ALKANES, C10-13, CHLORO [C12 Shown]|PAROIL 1048 [C15 Shown]|?

> <OFR_CASRN>
1852481-27-6|-|NOCAS_872457|-

> <similarity>
0.926829268292683|0.926829268292683|0.9|0.9

$$$$
