0  B19R2.8900  S=C(Nc1ccccc1)NCCc2ccccc2 1P00AD9L [1,0,0,0,0,0|1,0,1]=3
1  B21R3.7600  Cc1ccc(cc1)c2nnc(n2c3ccccc3)Cl 1P019N40 [0,0,0,1,0,0|2,0,1]=4
2  B21R3.7600  Cc1ccc(cc1)c2nnc(n2c3ccccc3)S 1P00JAR8 [0,0,0,1,0,0|1,0,2]=4
3  B21R3.7600  Clc1ccc(cc1)c2nnc(n2c3ccccc3)S 1P00GW3V [0,0,0,1,0,0|1,0,2]=4
4  B21R3.7600  Fc1ccc(cc1)c2nnc(n2c3ccccc3)S 1P019HYT [0,0,0,1,0,0|1,0,2]=4
5  B21R3.7600  Fc1ccc(cc1)c2nnc(n2c3ccccc3)[S-] 1P019I39 [0,0,0,1,0,0|1,0,2]=4
6  B19R2.286  O=C(Nc1ccccc1)NCc2ccc(cc2)F 1P028FXU [0,0,0,0,1,0|1,1,1]=4
7  B19R2.286  S=C(Nc1ccccc1)NCc2ccc(cc2)C 1P00IXZB [0,0,0,0,1,0|1,0,1]=3
8  B20R2.10809  O=C(Nc1ccccc1)NNC(=O)c2ccccc2 1P000GVQ [1,1,0,0,0,0|0,1,1]=4
9  B20R2.10809  S=C(Nc1ccccc1)NNC(=O)c2ccncc2 1P00JHQ5 [1,1,0,0,0,0|1,0,1]=4
10  B22R2.8242488  O=C(Nc1c(C)cccc1C)N\N=C\c2ccc(cc2)Br 1P00CNY0 [0,2,0,0,0,0|1,1,0]=4
11  B20R3.2719  c1ccc(cc1)Nc2snc(n2)c3ccccc3 1P0020CG [1,0,0,1,0,0|2,0,0]=4
12  B20R3.5586  Clc1nnc(n1c2ccccc2)c3ccccc3 1P00EKUI [1,0,0,1,0,0|1,0,1]=4
13  B20R3.5586  Nc1[nH]nc(c1c2ccccc2)c3ccccc3 1P01A862 [1,0,0,1,0,0|2,0,0]=4
14  B20R3.5586  Sc1nnc(n1c2ccccc2)c3ccccc3 1P00FC8A [1,0,0,1,0,0|0,0,2]=4
15  B20R3.2753728  Brc1ccc(cc1)c2n[nH]c(=O)c3c2cccc3 1P003KJ7 [0,0,0,1,1,0|1,1,0]=4
16  B20R3.2753728  Cc1ccc(cc1)c2n[nH]c(=O)c3c2cccc3 1P00DGGQ [0,0,0,1,1,0|1,1,0]=4
17  B20R3.2753728  Fc1ccc(cc1)c2n[nH]c(=O)c3c2cccc3 1P00258J [0,0,0,1,1,0|1,1,0]=4
18  B22R3.227757  Clc1ccc(cc1)c2n[nH]c(=S)n2Cc3ccccc3 1P002N88 [0,0,0,1,0,1|1,0,0]=3
19  B22R3.400  COc1ccc(cc1)c2nnc(n2c3ccccc3)S 1P00JH2Q [0,1,0,1,0,0|0,0,2]=4
20  B22R3.718198  Clc1ccc(c(c1)Cl)c2n[nH]c(=S)n2c3ccccc3 1P006IEW [0,1,0,1,0,0|1,0,0]=3
21  B18R2.2429  O=C(Nc1ccccc1)NNc2ccccc2 1P003E5S [1,0,0,0,1,0|0,1,1]=4
22  B18R2.2429  S=C(Nc1ccccc1)NCc2ccccc2 1P00ICQX [1,0,0,0,1,0|0,0,1]=3
23  B18R2.2429  S=C(Nc1ccccc1)NNc2ccccc2 1P0025DU [1,0,0,0,1,0|0,0,1]=3
24  B18R2.257  Oc1ccc(cc1)C=CC(=O)c2ccccc2 1P0029U5 [0,0,0,0,2,0|1,1,0]=4
25  B18R2.257  Oc1ccc(cc1)\C=C\C(=O)c2ccccc2 1P00CTO5 [0,0,0,0,2,0|1,1,0]=4
26  B18R2.266  O=C(Nc1ccccc1)Cc2ccc(cc2)O 1P000W3Y [0,0,0,0,2,0|0,1,1]=4
27  B18R2.266  O=C(Nc1ccccc1)Nc2ccc(cc2)N 1P0004WC [0,0,0,0,2,0|1,1,0]=4
28  B18R2.266  O=C(Nc1ccccc1)Nc2ccc(cc2)O 1P00BJGO [0,0,0,0,2,0|0,1,0]=3
29  B18R2.266  S=C(Nc1ccccc1)Nc2ccc(cc2)F 1P01DUQS [0,0,0,0,2,0|1,0,0]=3