0  B13R2.57  COc1ccc2c(c1)OCCO2 CSC009884742 [0,0,0,0,0,0|2,0,2]=4
1  B13R2.57  COc1ccc2nccnc2c1 CSC000041819 [0,0,0,0,0,0|1,0,0]=1
2  B13R2.57  COc1cnc2ccccc2c1 CSC012187421 [0,0,0,0,0,0|2,0,0]=2
3  B13R2.57  CSc1ccc2ccccc2c1 CSC000000181 [0,0,0,0,0,0|1,1,0]=2
4  B13R2.57  CSc1ccc2ccccc2n1 CSC015436161 [0,0,0,0,0,0|2,1,0]=3
5  B14R2.92  COc1ccc2ccccc2c1Br CSC000173347 [0,1,0,0,0,0|1,0,0]=2
6  B14R2.112  CCOc1ccc2ncccc2c1 CSC000055991 [0,1,0,0,0,0|0,0,0]=1
7  B14R2.112  CCSc1ccc2ccccc2c1 CSC000000182 [0,1,0,0,0,0|1,1,0]=3
8  B14R2.112  CSCc1ccc2ccccc2c1 CSC000053063 [0,1,0,0,0,0|1,1,0]=3
9  B14R2.134  COc1ccc2c(c1)NC(=O)CC2 CSC012187205 [0,1,0,0,0,0|2,0,1]=4
10  B14R2.781  CS(=O)c1ccc2ccccc2c1 CSC000064364 [0,1,0,0,0,0|1,1,0]=3
11  B14R2.2332  COc1ccc2cc(ccc2c1)Br CSC000170439 [0,1,0,0,0,0|1,0,0]=2
12  B12R1.27  COC(=O)CSc1ccccn1 CSC000156013 [0,0,1,0,0,0|2,0,1]=4
13  B12R2.44  COc1ccc2c(c1)OCO2 CSC000005814 [0,0,0,0,1,0|2,0,1]=4
14  B11R1.1  Cc1ccc(cc1)OCC=C CSC000172063 [1,0,1,0,0,0|1,0,1]=4
15  B11R1.1  Cc1ccc(cc1)SCC=C CSC000006760 [1,0,1,0,0,0|1,0,1]=4
16  B13R2.449  CCOc1ccc2[nH]ccc2c1 CSC012017212 [0,1,0,0,1,0|0,0,1]=3
17  B13R2.2121  COc1ccc2c(c1)CC(=O)N2 CSC011996518 [0,1,0,0,1,0|0,0,2]=4
18  B15R2.352  CCCOc1ccc2ccccc2c1 CSC000005839 [0,2,0,0,0,0|1,0,0]=3
19  B15R2.352  CCCSc1ccc2ccccc2c1 CSC048195454 [0,2,0,0,0,0|1,1,0]=4
20  B15R2.352  N#CCSc1ccc2ccccc2c1 CSC000148427 [0,2,0,0,0,0|1,1,0]=4
21  B15R2.352  OCCOc1ccc2ccccc2c1 CSC011219602 [0,2,0,0,0,0|1,0,0]=3
22  B15R2.352  OCCSc1ccc2ccccc2c1 CSC000193269 [0,2,0,0,0,0|1,1,0]=4
23  B15R2.1282  CCOc1ccc2ccc(=O)oc2c1 CSC000005965 [0,2,0,0,0,0|2,0,0]=4
24  B15R2.1601  COC(=O)c1ccc2ccccc2n1 CSC000150341 [0,2,0,0,0,0|2,0,0]=4
25  B15R2.1601  COC(=O)c1ccc2ncccc2c1 CSC011217999 [0,2,0,0,0,0|0,0,0]=2
26  B15R2.1601  COC(=O)c1ccc2nccnc2c1 CSC000148277 [0,2,0,0,0,0|1,0,0]=3
27  B15R2.1601  NNC(=O)c1ccc2ncccc2c1 CSC011204340 [0,2,0,0,0,0|2,0,0]=4
28  B15R2.1668  CC(=O)Nc1ccc2ccccc2c1 CSC000154015 [0,2,0,0,0,0|2,0,0]=4
29  B15R2.1668  CC(=O)Nc1ccc2ncccc2c1 CSC000185984 [0,2,0,0,0,0|1,0,0]=3
30  B15R2.1668  CC(=O)Nc1ccc2nccnc2c1 CSC011353849 [0,2,0,0,0,0|2,0,0]=4
31  B15R2.1668  CC(=O)Oc1ccc2ccccc2c1 CSC000002291 [0,2,0,0,0,0|1,0,0]=3
32  B15R2.1668  CC(=O)Oc1ccc2nccnc2c1 CSC015473003 [0,2,0,0,0,0|1,0,0]=3
33  B15R2.1668  CC(C)Sc1ccc2ccccc2c1 CSC048362076 [0,2,0,0,0,0|1,1,0]=4
34  B15R2.10252  CCOc1ccc2cc(ccc2c1)Br CSC000170440 [0,2,0,0,0,0|1,0,0]=3
35  B15R2.89396  COc1ccc2c(cc(=O)oc2c1)C CSC000005868 [0,2,0,0,0,0|2,0,0]=4
36  B15R2.61353  Cc1ccnc2c1cc(cc2)C(=O)N CSC000008634 [0,2,0,0,0,0|2,0,0]=4
37  B15R2.4441  CS(=O)(=O)c1ccc2ccccc2c1 CSC000048121 [0,2,0,0,0,0|1,1,0]=4
38  B11R1.25  COC(=O)C=Cc1cccs1 CSC000004362 [0,0,1,0,1,0|2,0,0]=4
39  B11R1.222  COC(=O)c1cccnc1C CSC011216498 [0,0,1,0,1,0|1,0,1]=4
40  B11R1.222  COC(=O)c1cccnc1F CSC011934352 [0,0,1,0,1,0|2,0,0]=4
41  B13R1.718  COC(=O)NN=Cc1ccccn1 CSC046211170 [0,0,1,0,0,1|2,0,0]=4