0  B13R1.45  CC(C)NNC(=O)c1ccncc1 T0821 [0,0,0,0,0,0|3,0,0]=3
1  B13R1.45  CC(C)NNC(=O)c1ccncc1 T20085 [0,0,0,0,0,0|3,0,0]=3
2  B13R1.45  OC(=O)CNC(=O)c1ccccc1 T4815 [0,0,0,0,0,0|3,0,1]=4
3  B13R1.45  OC(=O)CNC(=O)c1ccccc1 T8365 [0,0,0,0,0,0|3,0,1]=4
4  B12R1.30  CCCCC(O)c1ccccc1 T0857 [1,0,0,0,0,0|1,0,2]=4
5  B14R1.678  CC(C)COC(=O)c1ccc(N)cc1 T20336 [0,1,0,0,0,0|0,0,0]=1
6  B14R1.678  CC(C)COC(=O)c1ccc(O)cc1 T5670 [0,1,0,0,0,0|0,0,0]=1
7  B14R2.68  CN1CCC(=CC1)c2ccccc2 T4081 [0,0,0,1,0,0|3,0,0]=4
8  B14R2.68  O[C@H]1CO[C@@H](OC1)c2ccccc2 T29456 [0,0,0,1,0,0|1,0,2]=4
9  B14R2.68  O[C@H]1CO[C@H](OC1)c2ccccc2 T29455 [0,0,0,1,0,0|1,0,2]=4
10  B14R2.792  O=C(CNC1CC1)c2ccccc2 T33004 [0,0,0,1,0,0|2,0,0]=3
11  B12R1.107  CC(=O)CC(=O)c1ccccc1 T20345 [0,0,0,0,1,0|1,0,1]=3
12  B12R1.107  CC(C)CC(=O)c1ccccc1 T20363 [0,0,0,0,1,0|0,0,0]=1
13  B12R1.107  CC(C)OC(=O)c1ccccc1 T32225 [0,0,0,0,1,0|0,0,0]=1
14  B12R1.107  CS(=O)CC(=O)c1ccccn1 T33841 [0,0,0,0,1,0|3,0,0]=4
15  B11R1.16  CCCC(=O)c1ccccc1 T20324 [2,0,0,0,0,0|0,0,0]=2
16  B11R1.16  CCOC(=O)c1ccccc1 TN4020 [2,0,0,0,0,0|0,0,0]=2
17  B11R1.16  ClCCC(=O)c1ccccc1 T1342 [2,0,0,0,0,0|1,0,0]=3
18  B11R1.28  OCCOCc1ccccc1 T14013 [2,0,0,0,0,0|1,0,1]=4
19  B13R1.17  CCCCC(=O)c1ccc(O)cc1 T20372 [1,1,0,0,0,0|1,0,0]=3
20  B13R1.17  CCCOC(=O)c1ccc(N)cc1 T20260 [1,1,0,0,0,0|0,0,0]=2
21  B13R1.17  CCCOC(=O)c1ccc(O)cc1 T5557 [1,1,0,0,0,0|0,0,0]=2
22  B13R1.17  O=C(NCCN)C1=CC=C(Cl)C=C1 T28559 [1,1,0,0,0,0|2,0,0]=4
23  B13R1.17  OCCNC(=O)c1ccc(O)cc1 TN1456 [1,1,0,0,0,0|2,0,0]=4
24  B13R1.24  CCCCOC(=O)c1ccccc1 T20001 [1,1,0,0,0,0|0,0,0]=2
25  B13R1.47  CCOC(=O)C(=O)c1ccccc1 T20351 [1,1,0,0,0,0|2,0,0]=4
26  B13R1.674  OCCOC(=O)c1ccccc1O T13709 [1,1,0,0,0,0|1,0,0]=3
27  B13R1.513  CC(C)CCOc1ccc(N)cc1 T27061 [1,1,0,0,0,0|2,0,0]=4
28  B13R1.132  CC(C)OC(=O)c1ccc(O)cc1 T5686 [0,1,0,0,1,0|0,0,0]=2
29  B15R1.8019  CC(C)CCOC(=O)c1ccccc1O T32202 [0,1,0,0,0,1|0,0,0]=2
30  B15R1.889  CN(C)CCC(=O)c1ccc(Cl)c(Cl)c1 T10339 [0,2,0,0,0,0|2,0,0]=4
31  B15R1.132  Nc1ccc(cc1)C(=O)OCC(O)CO T32789 [0,2,0,0,0,0|1,0,0]=3
32  B15R2.467  CC1(C)COC(CN1)c2ccccc2 T27396 [0,1,0,1,0,0|1,0,1]=4
33  B15R2.467  CC1(COC(OC1)C2=CC=CC=C2)C T29281 [0,1,0,1,0,0|0,0,2]=4
34  B11R1.91  CC(=O)COc1ccccc1 T25944 [1,0,0,0,1,0|1,0,1]=4
35  B11R1.36  CC(=O)C(=O)c1ccccc1 T7450 [0,0,0,0,2,0|1,0,1]=4
36  B11R1.36  CC(O)C(=O)c1ccccc1 T29353 [0,0,0,0,2,0|1,0,0]=3
37  B13R1.337  CC(C)CCOCc1ccccc1 T20292 [1,0,0,0,0,1|0,0,1]=3