0  B14R2.20  CC1=NC(C2=CC=C(N)C=C2)=NO1 23473 [0,0,0,0,0,0|3,0,1]=4
1  B14R2.20  NC1=CC(C2=CC=C(Cl)C=C2)=NO1 15541 [0,0,0,0,0,0|2,0,1]=3
2  B14R2.20  NC1=NC(C2=CC=C(Br)C=C2)=CS1 13388 [0,0,0,0,0,0|0,2,2]=4
3  B14R2.20  NC1=NC(C2=CC=C(Cl)C=C2)=CS1 9961 [0,0,0,0,0,0|0,1,2]=3
4  B14R2.20  NC1=NNC(C2=CC=C(Cl)C=C2)=C1 12126 [0,0,0,0,0,0|3,0,1]=4
5  B13R2.10  NC1=CC(C2=CC=CC=C2)=NO1 15538 [1,0,0,0,0,0|2,0,1]=4
6  B13R2.10  NC1=NC(C2=CC=CC=C2)=CO1 27480 [1,0,0,0,0,0|0,0,2]=3
7  B13R2.10  NC1=NN(C2=CC=CC=C2)C=C1 22709 [1,0,0,0,0,0|2,0,1]=4
8  B13R2.10  NC1=NN(C2=CC=CC=C2)CC1 22707 [1,0,0,0,0,0|2,0,0]=3
9  B13R2.10  O=C1N[C@@H](c2ccccc2)CO1 6076 [1,0,0,0,0,0|1,0,1]=3
10  B13R2.10  O=C1N[C@H](c2ccccc2)CO1 6077 [1,0,0,0,0,0|1,0,1]=3
11  B15R2.299  O=C1C[C@H](C2=CC(Cl)=C(Cl)C=C2)CN1 30391 [0,1,0,0,0,0|3,0,0]=4
12  B13R1.14  COC(=O)CCC1=CC=C(O)C=C1 28884 [0,0,1,0,0,0|3,0,0]=4
13  B13R1.14  COC(=O)\C=C\C1=CC=C(Cl)C=C1 8193 [0,0,1,0,0,0|2,0,1]=4
14  B13R1.132  NC(CC(=O)O)C1=CC=C(Cl)C=C1 14764 [0,0,1,0,0,0|3,0,0]=4
15  B13R1.132  N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 17328 [0,0,1,0,0,0|3,0,0]=4
16  B13R1.132  N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 14200 [0,0,1,0,0,0|3,0,0]=4
17  B15R2.3  O=C1CCC(C2=CC=C(Cl)C=C2)CC1 26585 [0,0,0,0,0,1|3,0,0]=4
18  B15R2.98  NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 7548 [0,0,0,0,0,1|2,0,1]=4
19  B12R1.21  O=C(O)CCC1=CC=C(Cl)C=C1 12507 [1,0,1,0,0,0|2,0,0]=4
20  B12R1.27  COC(=O)CCC1=CC=CC=C1 18417 [1,0,1,0,0,0|2,0,0]=4
21  B12R1.49  COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,0,1,0,1,0|1,0,0]=3
22  B12R1.49  COC(=O)CC1=CC=C(F)C=C1 24389 [0,0,1,0,1,0|1,1,0]=4
23  B12R1.49  COC(=O)CC1=CC=C(O)C=C1 19751 [0,0,1,0,1,0|2,0,0]=4
24  B12R1.20  NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,0,1,0,1,0|2,0,0]=4
25  B12R1.20  N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,0,1,0,1,0|2,0,0]=4
26  B14R2.19  O=C1N[C@@H](CC2=CC=CC=C2)CO1 6915 [1,0,0,0,0,1|1,0,1]=4
27  B14R2.19  O=C1N[C@H](CC2=CC=CC=C2)CO1 6916 [1,0,0,0,0,1|1,0,1]=4