0  B13R1.42  CCCC(=O)NCC1=CC=NC=C1 849102 [0,0,0,0,0,0|3,0,0]=3
1  B13R1.42  CCOC(=O)CSC1=NC=CC=N1 6465581 [0,0,0,0,0,0|3,0,0]=3
2  B14R1.60  CCOC(=O)C(C)SC1=NC=CN=C1 3845863 [0,1,0,0,0,0|3,0,0]=4
3  B14R1.156  C1=CC=C(C=C1)CNC(=S)NCCO 2731003 [0,1,0,0,0,0|2,1,0]=4
4  B14R2.30  C1COC(=O)C1=CC2=CC=CC=C2 223158 [0,0,0,1,0,0|0,0,2]=3
5  B14R2.30  C1CSC(=S)N1CC2=CC=CC=C2 275676 [0,0,0,1,0,0|1,2,0]=4
6  B14R2.598  CN1C(CC(=O)N1)C2=CC=CC=C2 95490 [0,0,0,1,0,0|2,0,0]=3
7  B11R1.91  C1=CC(=CN=C1)CCC(=O)O 259624 [2,0,0,0,0,0|1,0,0]=3
8  B11R1.91  C1=CC=C(C=C1)CNC(=O)N 10853 [2,0,0,0,0,0|2,0,0]=4
9  B13R1.14  COC(=O)CCC1=CC=C(C=C1)O 79706 [1,1,0,0,0,0|0,0,0]=2
10  B13R1.19  CCNC(=O)CC1=CC=C(C=C1)Br 884783 [0,1,0,0,1,0|1,0,0]=3
11  B15R1.11  CCCC(=O)NCCC1=CC=C(C=C1)F 773504 [0,1,0,0,0,1|1,0,0]=3
12  B15R1.157  CCCNC(=O)NCCC1=CC=NC=C1 654908 [0,1,0,0,0,1|2,0,0]=4
13  B15R1.9084  CC(CC(=O)NOCC1=CC=CC=C1)O 561070 [0,1,0,0,0,1|2,0,0]=4
14  B15R1.807  CCOC(=O)CS(=O)(=O)C1=CC=CC=C1 82078 [0,2,0,0,0,0|1,0,0]=3
15  B15R1.5934  C1=CC=C(C=C1)CCP(=O)(CCCN)O 6602756 [0,2,0,0,0,0|2,0,0]=4
16  B13R2.10  C1C(=CC(=O)O1)C2=CC=CC=C2 267373 [1,0,0,1,0,0|0,0,2]=4
17  B13R2.57  CCN1CCC2=CC=CC=C2C1 49719 [1,0,0,1,0,0|2,0,0]=4
18  B15R2.389  CC1C(OCC(=O)N1)C2=CC=CC=C2 21789 [0,0,0,1,0,1|1,0,0]=3
19  B15R2.16438  C1CC1C(=O)NCCC2=CC=CC=C2 3700255 [0,0,0,1,0,1|1,0,0]=3
20  B15R2.27  C1C(CC(=O)CC1=O)C2=CC=CC=C2 568962 [0,1,0,1,0,0|1,0,1]=4
21  B15R2.355  C1C(=C(C(=O)O1)CC2=CC=CC=C2)O 54678489 [0,1,0,1,0,0|0,0,2]=4
22  B15R2.24494  C1CC1NC(=O)CSC2=CC=CC=C2 881574 [0,1,0,1,0,0|2,0,0]=4
23  B15R2.359  C/1COC(=O)\C1=C\C2=CC=CC=C2O 762413 [0,1,0,1,0,0|0,0,2]=4
24  B15R2.321  CC1C(OC(=O)N1C)C2=CC=CC=C2 237192 [0,1,0,1,0,0|2,0,0]=4
25  B15R2.4083  C1CN(C(=O)C1O)CC2=CC=CC=C2 219255 [0,1,0,1,0,0|2,0,0]=4
26  B15R2.327  CC1(C(NC(=O)O1)C2=CC=CC=C2)C 321798 [0,1,0,1,0,0|1,0,0]=3
27  B11R1.40  CCC(=O)NC1=CC=CC=C1 12107 [1,0,0,0,1,0|1,0,0]=3