0  B17R2.143  c1ccc(cc1)CC(=O)Cc2ccccc2 LS10590 [0,0,0,0,0,0|0,0,0]=0
1  B16R2.2256  c1ccc(cc1)CCCc2ccncc2 LS21122 [1,0,0,0,0,0|1,0,1]=3
2  B18R2.6478  c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl LS41254 [0,1,0,0,0,0|3,0,0]=4
3  B18R2.32233  c1ccc(cc1)OP(=O)(Oc2ccccc2)Cl LS41113 [0,1,0,0,0,0|3,0,0]=4
4  B18R3.12875  c1ccc(cc1)NC2Cc3ccccc3C2 LS40650 [0,0,0,1,0,0|2,0,1]=4
5  B16R2.88  c1ccc(cc1)CC(=O)c2ccccc2 LS10754 [0,0,0,0,1,0|0,0,0]=1
6  B17R2.2342  C[C@@H](c1ccccc1)NCc2ccccc2 LS30111 [1,1,0,0,0,0|1,0,0]=3
7  B17R2.2342  C[C@H](c1ccccc1)NCc2ccccc2 LS30172 [1,1,0,0,0,0|1,0,0]=3
8  B17R2.162  c1ccc(cc1)C\C(=N\O)\c2ccccc2 LS40786 [0,1,0,0,1,0|0,0,1]=3
9  B17R2.10205  c1ccc(cc1)C(=O)N(c2ccccc2)O LS11685 [0,1,0,0,1,0|1,0,0]=3
10  B17R2.10205  c1ccc(cc1)C(C(c2ccccc2)N)N LS40572 [0,1,0,0,1,0|1,0,1]=4
11  B17R2.10205  c1ccc(cc1)[C@@H]([C@@H](c2ccccc2)O)N LS30110 [0,1,0,0,1,0|0,0,2]=4
12  B17R2.10205  c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N LS30116 [0,1,0,0,1,0|1,0,1]=4
13  B17R2.10205  c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N LS30115 [0,1,0,0,1,0|1,0,1]=4
14  B19R2.4600  c1ccc(cc1)CN(Cc2ccccc2)C(=S)[S-] LS40170 [0,2,0,0,0,0|1,1,0]=4
15  B17R3.8708  c1ccc(cc1)c2[nH]c3ccccc3n2 LS40925 [0,0,0,1,1,0|2,0,0]=4
16  B17R3.8708  c1ccc(cc1)c2cc3ccccc3[nH]2 LS40176 [0,0,0,1,1,0|1,0,1]=4
17  B17R3.54615  c1ccc2c(c1)cc(c3c2cccc3)Br LS00033 [0,0,0,1,1,0|1,0,1]=4
18  B15R2.2195  c1ccc(cc1)CNc2ccccc2 LS11616 [1,0,0,0,1,0|1,0,0]=3
19  B15R2.2226  c1ccc(cc1)C(c2ccccc2)Br LS11713 [0,0,0,0,2,0|1,0,1]=4
20  B15R2.2226  c1ccc(cc1)C(c2ccccc2)O LS10636 [0,0,0,0,2,0|0,0,2]=4
21  B15R2.2226  c1ccc(cc1)P(c2ccccc2)Cl LS41014 [0,0,0,0,2,0|2,0,0]=4
22  B17R2.2382  c1ccc(cc1)OCCOc2ccccc2 LS11711 [1,0,0,0,0,1|1,0,1]=4
23  B19R2.16162  c1ccc(cc1)\C=C\C(=O)\C=C\c2ccccc2 LS11354 [0,0,0,0,0,2|0,0,2]=4