0  B17R2.3417  c1ccc(c(c1)C(=O)Cc2ccncc2)Cl AB18198 [0,0,0,0,0,0|3,0,0]=3
1  B16R2.71  c1ccc(cc1)NCc2ccccc2O MB00415 [1,0,0,0,0,0|1,0,1]=3
2  B16R2.88  c1ccc(cc1)CC(=O)c2ccccn2 AB01371 [1,0,0,0,0,0|2,0,0]=3
3  B16R2.88  c1ccc(cc1)CC(=O)c2cccnc2 AB07823 [1,0,0,0,0,0|2,0,0]=3
4  B16R2.88  c1ccc(cc1)NC(=O)c2cccnc2 MB00323 [1,0,0,0,0,0|2,0,0]=3
5  B18R2.3988  Cc1ccccc1C(=O)C(=O)c2cccnc2 AB50442 [0,1,0,0,0,0|3,0,0]=4
6  B18R2.3988  c1ccc(c(c1)C(=O)C(=O)c2cccnc2)Cl AB50428 [0,1,0,0,0,0|3,0,0]=4
7  B18R2.6543  c1cc(c(cc1Cl)Cl)C(=O)Cc2ccncc2 AB18230 [0,1,0,0,0,0|3,0,0]=4
8  B18R2.32648  c1ccc(c(c1)C(=O)Nc2cccnc2Cl)N AB10584 [0,1,0,0,0,0|3,0,0]=4
9  B18R3.92719  c1ccc2c(c1)C(=O)Nc3ccccc3N2 MB00916 [0,0,0,1,0,0|2,0,0]=3
10  B18R3.92719  c1ccc2c(c1)C(=O)Nc3cccnc3N2 AB04502 [0,0,0,1,0,0|3,0,0]=4
11  B16R2.3896  c1ccc(cc1)C(=O)c2c(nccn2)Cl AB60413 [0,0,0,0,1,0|3,0,0]=4
12  B16R2.3896  c1ccc(cc1)C(=O)c2c(nccn2)N AB60419 [0,0,0,0,1,0|3,0,0]=4
13  B16R2.3896  c1ccc(cc1)C(=O)c2cccnc2Cl AB13818 [0,0,0,0,1,0|2,0,0]=3
14  B15R2.2195  c1ccc(cc1)COc2ccncc2 AB43755 [2,0,0,0,0,0|1,0,1]=4
15  B17R2.5365  c1ccc(cc1)NCc2cc(ccc2O)Cl MB08879 [1,1,0,0,0,0|1,0,1]=4
16  B17R2.162  c1ccc(cc1)C(CN)Oc2ccccc2 AB39060 [1,1,0,0,0,0|1,0,1]=4
17  B17R2.192  Cc1ccc(cc1)C(=O)Cc2ccncc2 AB18193 [1,1,0,0,0,0|2,0,0]=4
18  B17R2.192  c1cc(ccc1C(=O)Cc2ccncc2)Br AB18231 [1,1,0,0,0,0|2,0,0]=4
19  B17R2.192  c1cc(ccc1C(=O)Cc2ccncc2)Cl AB16916 [1,1,0,0,0,0|2,0,0]=4
20  B17R2.192  c1cc(ccc1C(=O)Cc2ccncc2)F AB13054 [1,1,0,0,0,0|2,0,0]=4
21  B17R2.209  c1cc(ccc1CC(=O)c2ccncc2)F AB18168 [1,1,0,0,0,0|2,0,0]=4
22  B17R2.209  c1cc(cnc1)C(=O)Cc2ccc(cc2)Cl AB50434 [1,1,0,0,0,0|2,0,0]=4
23  B17R2.5273  Cc1cccc(c1)C(=O)Cc2ccncc2 AB18197 [1,1,0,0,0,0|2,0,0]=4
24  B17R2.5273  c1ccc(cc1)NC(=O)c2ccnc(c2)Cl MB07734 [1,1,0,0,0,0|2,0,0]=4
25  B17R2.5293  Cc1cccc(c1)CC(=O)c2cccnc2 AB50445 [1,1,0,0,0,0|2,0,0]=4
26  B17R2.5293  c1cc(cc(c1)Cl)CC(=O)c2cccnc2 AB50430 [1,1,0,0,0,0|2,0,0]=4
27  B17R2.10205  c1ccc(cc1)C(=O)C(=O)c2cccnc2 AB50400 [1,1,0,0,0,0|2,0,0]=4
28  B19R2.5647  CC(c1ccccc1)NC(=O)c2ccccc2N AB03486 [0,1,0,0,0,1|2,0,0]=4
29  B19R2.3393  COc1ccccc1C(=O)C(=O)c2cccnc2 AB50419 [0,2,0,0,0,0|2,0,0]=4
30  B17R3.35227  c1ccc2c(c1)cc3ccccc3c2F MB06862 [0,0,0,1,1,0|2,0,0]=4
31  B19R3.9171  c1ccc(cc1)N2Cc3ccccc3C(=O)C2 AB56014 [0,0,0,1,0,1|2,0,0]=4
32  B19R3.9171  c1ccc2c(c1)c(=O)cc(o2)c3ccncc3 MB01288 [0,0,0,1,0,1|2,0,0]=4
33  B19R3.87160  c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl AB10377 [0,1,0,1,0,0|2,0,0]=4
34  B15R2.2226  c1ccc(cc1)C(=N)c2ccccc2 PB24516 [1,0,0,0,1,0|1,0,0]=3
35  B15R2.2226  c1ccc(cc1)C(c2ccccc2)N PB10011 [1,0,0,0,1,0|1,0,1]=4
36  B15R2.395  Cn1cccc1C(=O)c2ccccc2 MB69074 [0,0,0,0,2,0|2,0,0]=4