0  B17R2.10205  O=C(c1ccccc1)C(O)c2ccccc2 T3939 [0,0,0,0,0,0|0,0,0]=0
1  B16R2.88  N[C@@H](CC1=CC=CC=N1)C2=CC=CC=C2 T15706 [1,0,0,0,0,0|2,0,1]=4
2  B16R2.88  O=C(Oc1ccccc1)c2ccccc2 T5651 [1,0,0,0,0,0|1,0,0]=2
3  B18R2.2315  COC(C(=O)c1ccccc1)c2ccccc2 T7925 [0,1,0,0,0,0|0,0,0]=1
4  B18R2.14825  CC(C)(C(=O)c1cccnc1)c2cccnc2 T0293 [0,1,0,0,0,0|3,0,0]=4
5  B18R3.111  O=c1c2ccccc2[se]n1-c3ccccc3 T0825 [0,0,0,1,0,0|1,1,0]=3
6  B15R2.2195  C(=C\c1ccccc1)/c2ccccc2 TN2282 [2,0,0,0,0,0|0,0,1]=3
7  B15R2.2195  c1ccc(CNc2ccccc2)cc1 T0651 [2,0,0,0,0,0|1,0,0]=3
8  B15R2.2195  c1ccc(\N=N\c2ccccc2)cc1 T0609 [2,0,0,0,0,0|2,0,0]=4
9  B17R2.3417  O=C(NC1=CC=CC=C1)C2=CC=CC=C2I T3601 [1,1,0,0,0,0|1,0,0]=3
10  B17R2.3417  O=C(Nc1ccccc1)c2ccccc2O T0753 [1,1,0,0,0,0|1,0,0]=3
11  B17R2.5293  O=C(NC1=CC=CC(Cl)=C1)C2=NC=CC=C2 T13317 [1,1,0,0,0,0|2,0,0]=4
12  B17R2.5293  O=C(Nc1cccc(Cl)c1)c2ccccn2 T6727 [1,1,0,0,0,0|2,0,0]=4
13  B17R3.54615  OC1=CC2=C(C=CC=C2)C3=C1C=CC=C3 T22537 [1,0,0,1,0,0|0,0,1]=3
14  B19R3.9171  O=C1CC(c2ccccc2)Oc3ccccc31 T0530 [0,0,0,1,0,1|0,0,0]=2
15  B19R3.9171  O=c1cc(-c2ccccc2)oc3ccccc13 T2876 [0,0,0,1,0,1|0,0,1]=3
16  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
17  B19R3.6048  O=C1C(c2ccccc2)=COc3ccccc31 T8194 [0,1,0,1,0,0|0,0,1]=3
18  B19R3.6049  O=C1c2ccccc2C(=O)C1c3ccccc3 T0514 [0,1,0,1,0,0|0,0,1]=3
19  B17R2.143  O=C(Nc1ccccc1)Nc2ccccc2 T2716 [1,0,0,0,0,1|1,0,0]=3
20  B17R2.2342  O=C(NNc1ccccc1)c2ccncc2 T1869 [1,0,0,0,0,1|2,0,0]=4
21  B17R2.2342  O=C(OCc1ccccc1)c2ccccc2 T0729 [1,0,0,0,0,1|0,0,0]=2
22  B17R2.2342  O=C(OCc1ccccc1)c2cccnc2 T7713 [1,0,0,0,0,1|1,0,0]=3
23  B17R2.2342  O=C(\C=C\c1ccccc1)c2ccccc2 T2S0961 [1,0,0,0,0,1|0,0,1]=3
24  B17R2.2342  O=C(\C=C\c1ccccc1)c2ccccc2 T3322 [1,0,0,0,0,1|0,0,1]=3