0  B14R2.256  C1=CC=C(C(=C1)C2=CSC(=N2)N)Br PI-31552 [0,0,0,0,0,0|1,1,2]=4
1  B14R2.256  C1=CC=C(C(=C1)C2=CSC(=N2)N)O PI-31551 [0,0,0,0,0,0|1,1,2]=4
2  B14R2.256  CC1=CC=CC=C1C2=CSC(=N2)N PI-31550 [0,0,0,0,0,0|0,1,2]=3
3  B13R2.10  C1=CC=C(C=C1)C2=NC(=NS2)N PI-11904 [1,0,0,0,0,0|2,0,1]=4
4  B13R2.10  C1=CC=C(C=C1)C2=NSC(=N2)N PI-30216 [1,0,0,0,0,0|1,1,1]=4
5  B13R2.10  C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [1,0,0,0,0,0|1,0,1]=3
6  B13R2.10  C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [1,0,0,0,0,0|1,0,1]=3
7  B13R2.10  C1C(NC(=S)S1)C2=CC=CC=C2 PI-16639 [1,0,0,0,0,0|1,1,1]=4
8  B13R2.10  C1CN(N=C1N)C2=CC=CC=C2 PI-30482 [1,0,0,0,0,0|2,0,0]=3
9  B13R2.10  CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [1,0,0,0,0,0|2,0,1]=4
10  B13R2.10  O=C1CCC(O1)c2ccccc2 PI-18042 [1,0,0,0,0,0|3,0,0]=4
11  B13R2.10  O=C1OC[C@H](N1)c2ccccc2 PI-11224 [1,0,0,0,0,0|1,0,1]=3
12  B13R2.10  S=C1OC[C@H](N1)c2ccccc2 PI-16645 [1,0,0,0,0,0|1,0,1]=3
13  B13R2.10  S=C1SC[C@H](N1)c2ccccc2 PI-16640 [1,0,0,0,0,0|1,1,1]=4
14  B15R2.290  Cc1ccc(C)c(c1)c2csc(N)n2 PI-23960 [0,1,0,0,0,0|0,1,2]=4
15  B15R2.1153  Cc1ccc(c(C)c1)c2csc(N)n2 PI-23959 [0,1,0,0,0,0|0,1,2]=4
16  B15R3.2009  C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42022 [0,0,0,1,0,0|1,0,1]=3
17  B15R3.2009  C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42023 [0,0,0,1,0,0|1,0,1]=3
18  B12R1.107  CC(c1ccccc1)CC(=O)O PI-25588 [1,0,1,0,0,0|2,0,0]=4
19  B12R1.125  CC1=CC=CC=C1CCC(=O)O PI-24240 [1,0,1,0,0,0|2,0,0]=4
20  B12R2.2  C1CC(N=C1)C2=CN=CC=C2 PI-44326 [2,0,0,0,0,0|2,0,0]=4
21  B12R1.124  CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,0,1,0,1,0|2,0,0]=4
22  B12R1.371  CC1=CC=CC=C1CC(=O)OC PI-50422 [0,0,1,0,1,0|1,0,0]=3
23  B12R1.371  COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,0,1,0,1,0|2,0,0]=4
24  B12R1.371  COC(=O)CC1=CC=CC=C1F PI-30730 [0,0,1,0,1,0|2,0,0]=4
25  B12R1.371  COC(=O)CC1=CC=CC=C1O PI-50540 [0,0,1,0,1,0|2,0,0]=4
26  B12R1.371  COC(=O)Cc1ccccc1Br PI-26756 [0,0,1,0,1,0|2,0,0]=4
27  B14R2.68  C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10531 [1,0,0,0,0,1|1,0,1]=4
28  B14R2.68  C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10532 [1,0,0,0,0,1|1,0,1]=4