0  B17R2.3417  O=C(NC1=CC=CC=C1)C2=CC=CC=C2I T3601 [0,0,0,0,0,0|2,0,0]=2
1  B17R2.3417  O=C(Nc1ccccc1)c2ccccc2O T0753 [0,0,0,0,0,0|1,0,0]=1
2  B16R2.71  Oc1ccccc1NCc2ccccn2 T7490 [1,0,0,0,0,0|3,0,0]=4
3  B16R2.88  O=C(Oc1ccccc1)c2ccccc2 T5651 [1,0,0,0,0,0|0,0,0]=1
4  B18R2.9218  O=C(Nc1ccc(O)cc1)c2ccccc2O T0353 [0,1,0,0,0,0|1,0,0]=2
5  B18R3.111  O=c1c2ccccc2[se]n1-c3ccccc3 T0825 [0,0,0,1,0,0|1,1,0]=3
6  B18R3.92719  O=C1CC2=CC=CC=C2NC3=CC=CC=C13 T20942 [0,0,0,1,0,0|2,0,0]=3
7  B16R2.3896  Cc1ccccc1C(O)c2ccccc2 T0566 [0,0,0,0,1,0|1,0,2]=4
8  B16R2.3896  O=C(c1ccccc1)c2ccccc2Cl T0633 [0,0,0,0,1,0|1,0,0]=2
9  B18R2.4001  O=C(\C=C\c1ccccc1)c2ccccc2O TN1163 [0,0,0,0,0,1|1,0,0]=2
10  B15R2.2195  C(=C\c1ccccc1)/c2ccccc2 TN2282 [2,0,0,0,0,0|1,0,0]=3
11  B15R2.2195  c1ccc(CNc2ccccc2)cc1 T0651 [2,0,0,0,0,0|1,0,1]=4
12  B15R2.2195  c1ccc(\N=N\c2ccccc2)cc1 T0609 [2,0,0,0,0,0|2,0,0]=4
13  B17R2.5360  OC1=CC(O)=C(\N=N\C2=CC=CC=C2)C=C1 T8284 [1,1,0,0,0,0|2,0,0]=4
14  B17R2.5293  O=C(NC1=CC=CC(Cl)=C1)C2=NC=CC=C2 T13317 [1,1,0,0,0,0|2,0,0]=4
15  B17R2.5293  O=C(Nc1cccc(Cl)c1)c2ccccn2 T6727 [1,1,0,0,0,0|2,0,0]=4
16  B17R2.10205  O=C(c1ccccc1)C(O)c2ccccc2 T3939 [1,1,0,0,0,0|1,0,0]=3
17  B17R2.381  Nc1ccccc1C(=O)c2ccc(F)cc2 T7937 [0,1,0,0,1,0|1,0,0]=3
18  B17R2.381  O=C(c1ccc(O)cc1)c2ccccc2O T7036 [0,1,0,0,1,0|0,0,0]=2
19  B17R2.5356  Nc1ccc(Cl)cc1C(=O)c2ccccc2 T1685 [0,1,0,0,1,0|1,0,0]=3
20  B19R2.151817  O=C(NC1=CC=C(Br)C=C1)C2=C(O)C=CC=C2O T22415 [0,2,0,0,0,0|1,0,0]=3
21  B19R2.12259  O=C(NC1=CC=C(Cl)C=C1)C2=C(O)C=CC(Br)=C2 T1043 [0,2,0,0,0,0|1,0,0]=3
22  B19R2.103395  O=C(Nc1ccc(Cl)cc1F)c2ccccc2O T8550 [0,2,0,0,0,0|1,0,0]=3
23  B17R3.1830  C1=Cc2ccccc2Nc3ccccc31 T0598 [1,0,0,1,0,0|2,0,0]=4
24  B17R3.54615  OC1=CC2=C(C=CC=C2)C3=C1C=CC=C3 T22537 [1,0,0,1,0,0|1,0,1]=4
25  B17R3.35227  Nc1c2ccccc2nc3ccccc13 T0289 [0,0,0,1,1,0|2,0,0]=4
26  B17R3.35227  O=c1c2ccccc2oc3ccccc13 T2982 [0,0,0,1,1,0|0,0,0]=2
27  B17R3.35227  OC1c2ccccc2Oc3ccccc31 T4582 [0,0,0,1,1,0|0,0,2]=4
28  B19R3.9171  O=C1CC(c2ccccc2)Oc3ccccc31 T0530 [0,0,0,1,0,1|1,0,0]=3
29  B19R3.9171  O=c1cc(-c2ccccc2)oc3ccccc13 T2876 [0,0,0,1,0,1|1,0,0]=3
30  B19R3.6048  O=C1C(c2ccccc2)=COc3ccccc31 T8194 [0,1,0,1,0,0|1,0,0]=3
31  B19R3.6049  O=C1c2ccccc2C(=O)C1c3ccccc3 T0514 [0,1,0,1,0,0|1,0,1]=4
32  B19R3.12752  CC1=CC=C(N2SC3=C(C=CC=C3)C2=O)C=C1 T16435 [0,1,0,1,0,0|1,1,0]=4
33  B17R2.2342  O=C(NNc1ccccc1)c2ccncc2 T1869 [1,0,0,0,0,1|2,0,0]=4
34  B17R2.2342  O=C(OCc1ccccc1)c2ccccc2 T0729 [1,0,0,0,0,1|0,0,0]=2
35  B17R2.2342  O=C(OCc1ccccc1)c2cccnc2 T7713 [1,0,0,0,0,1|1,0,0]=3
36  B17R2.2342  O=C(\C=C\c1ccccc1)c2ccccc2 T2S0961 [1,0,0,0,0,1|1,0,0]=3
37  B17R2.2342  O=C(\C=C\c1ccccc1)c2ccccc2 T3322 [1,0,0,0,0,1|1,0,0]=3