0  B11R1.12  c1ccc(cc1)C(CN)CN DA-25719 [1,0,0,0,0,0|2,0,1]=4
1  B11R1.12  c1cnccc1C(C=O)C#N DA-23270 [1,0,0,0,0,0|2,0,1]=4
2  B13R1.1111  CN(C)C(c1ccccn1)C(=O)O DA-27729 [0,1,0,0,0,0|2,0,0]=3
3  B13R1.1111  CN(C)C(c1cccnc1)C(=O)O DA-27728 [0,1,0,0,0,0|2,0,0]=3
4  B13R1.1111  CN(C)C(c1ccncc1)C(=O)O DA-27727 [0,1,0,0,0,0|2,0,0]=3
5  B13R2.135  Cc1c(c2ccccc2s1)C=O DA-25811 [0,0,0,1,0,0|1,0,2]=4
6  B13R1.713  CNC(CN(C)C)c1ccccc1 DA-41135 [0,0,0,0,0,1|3,0,0]=4
7  B10R1.15  CC(c1ccccc1)ON DA-42022 [2,0,0,0,0,0|2,0,0]=4
8  B12R1.20  CC(C)C(=O)c1ccc(cc1)I DA-39986 [1,1,0,0,0,0|0,0,1]=3
9  B12R1.124  CC(C(=O)c1ccccc1Cl)Br DA-26978 [1,1,0,0,0,0|1,0,1]=4
10  B12R1.124  Cc1ccccc1C(C(C)C)N DA-25954 [1,1,0,0,0,0|1,0,0]=3
11  B12R1.225  CC(C)C(c1cccc(c1)Br)O DA-31237 [1,1,0,0,0,0|0,0,1]=3
12  B12R1.225  CN(C)C(=O)c1cccc(c1)I DA-23503 [1,1,0,0,0,0|1,0,1]=4
13  B12R1.1395  CN(C)C(c1cccs1)C(=O)O DA-27725 [0,1,0,0,1,0|2,0,0]=4
14  B12R1.1395  CN(C)C(c1ccsc1)C(=O)O DA-27724 [0,1,0,0,1,0|2,0,0]=4
15  B14R1.1031  COC(=O)C(Cc1ccccc1)C=O DA-32968 [0,1,0,0,0,1|1,0,1]=4
16  B14R1.4513  CC(C)C(C(=O)Cl)Oc1ccccc1 DA-23376 [0,1,0,0,0,1|0,0,0]=2
17  B14R1.703  CN(C)C(c1ccc(nc1)Cl)C(=O)O DA-27983 [0,2,0,0,0,0|2,0,0]=4
18  B12R2.18  CC1Cc2cccnc2C1=O DA-38247 [1,0,0,1,0,0|1,0,1]=4
19  B14R2.1146  CC1Cc2ccccc2C(N1)CN DA-30414 [0,0,0,1,0,1|1,0,1]=4
20  B14R2.1256  c1ccc(cc1)C(CC2CC2)CN DA-23684 [0,0,0,1,0,1|1,0,1]=4
21  B14R2.24  CC1CNCC=C1c2ccccc2 DA-30362 [0,1,0,1,0,0|1,0,1]=4
22  B14R2.300  CC(C)n1ccc2c1ccc(c2)N DA-29286 [0,1,0,1,0,0|2,0,0]=4
23  B12R1.107  CC(C)CC(=O)c1cccnc1 DA-23411 [1,0,0,0,0,1|1,0,1]=4
24  B12R1.107  CC(C)NC(=N)c1ccccc1 DA-42163 [1,0,0,0,0,1|1,0,1]=4