0  B14R1.540  CC(C)C\C=C(\C=O)/c1ccccc1 A13407 [0,0,0,0,0,0|0,0,0]=0
1  B13R1.45  CC(=O)CCC(=O)c1ccccc1 L13151 [1,0,0,0,0,0|1,0,2]=4
2  B13R1.45  CC(C)COC(=O)c1ccccc1 A10114 [1,0,0,0,0,0|1,0,0]=2
3  B13R1.45  CC(C)NCC(=O)c1ccccc1 H50799 [1,0,0,0,0,0|1,0,1]=3
4  B13R1.45  CN(C)CCC(=O)c1ccccc1 L01179 [1,0,0,0,0,0|1,0,1]=3
5  B13R1.45  CN(C)\C=C\C(=O)c1ccccn1 H31714 [1,0,0,0,0,0|2,0,1]=4
6  B13R1.45  CN(C)\C=C\C(=O)c1cccnc1 H54187 [1,0,0,0,0,0|2,0,1]=4
7  B15R2.39201  CC(=O)n1cc(c2c1cccc2)C=O B21527 [0,0,0,1,0,0|2,0,1]=4
8  B13R1.713  CC(C)\C=C(\C=O)/c1ccccc1 A18738 [0,0,0,0,1,0|0,0,0]=1
9  B12R1.3  CC\C=C(\C=O)/c1ccccc1 A13635 [2,0,0,0,0,0|0,0,0]=2
10  B12R1.30  CCCCC(=O)c1ccccc1 A10525 [2,0,0,0,0,0|0,0,1]=3
11  B12R1.30  c1ccc(cc1)C(=O)CCCCl L06383 [2,0,0,0,0,0|1,0,1]=4
12  B12R1.30  c1ccc(cc1)C(=O)NCCCl L06212 [2,0,0,0,0,0|2,0,0]=4
13  B14R1.149  CC(C)CNC(=O)c1cccc(c1)Cl H56024 [1,1,0,0,0,0|1,0,0]=3
14  B14R1.149  CC(C)CNC(=O)c1ccnc(c1)Cl H57388 [1,1,0,0,0,0|2,0,0]=4
15  B14R1.149  CN(C)\C=C\C(=O)c1cccc(c1)Br H32172 [1,1,0,0,0,0|1,0,1]=4
16  B14R1.149  Cc1cccc(c1)C(=O)NCC(C)C H56920 [1,1,0,0,0,0|1,0,0]=3
17  B14R1.160  CC(C)CNC(=O)c1ccccc1Cl H56696 [1,1,0,0,0,0|1,0,0]=3
18  B14R1.160  CC(C)CNC(=O)c1ccccc1F H56737 [1,1,0,0,0,0|1,0,0]=3
19  B14R1.678  CC(C)CNC(=O)c1ccc(cc1)Br H57385 [1,1,0,0,0,0|1,0,0]=3
20  B14R1.678  CC(C)CNC(=O)c1ccc(cc1)Cl H55610 [1,1,0,0,0,0|1,0,0]=3
21  B14R1.678  CC(C)CNC(=O)c1ccc(cc1)F H57562 [1,1,0,0,0,0|1,0,0]=3
22  B14R1.678  CC(C)COC(=O)c1ccc(cc1)O L17587 [1,1,0,0,0,0|1,0,0]=3
23  B14R1.678  CN(C)\C=C\C(=O)c1ccc(cc1)Br H34204 [1,1,0,0,0,0|1,0,1]=4
24  B14R1.678  CN(C)\C=C\C(=O)c1ccc(cc1)F H34021 [1,1,0,0,0,0|1,0,1]=4
25  B14R1.678  Cc1ccc(cc1)C(=O)NCC(C)C H56657 [1,1,0,0,0,0|1,0,0]=3
26  B14R1.3098  CC(C)(C)OOC(=O)c1ccccc1 A17373 [1,1,0,0,0,0|2,0,0]=4
27  B14R2.24  c1ccc(cc1)C2CCCCC2=O A17340 [1,0,0,1,0,0|0,0,2]=4
28  B14R2.403  CC1(COC(=N1)c2ccccc2)C B25058 [1,0,0,1,0,0|2,0,0]=4
29  B16R2.85  CC(C)c1ccc(cc1)c2ccccc2 L14405 [0,0,0,1,0,1|1,0,1]=4
30  B12R1.107  CC(=O)CC(=O)c1ccccc1 A14537 [1,0,0,0,1,0|1,0,1]=4
31  B12R1.107  C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [1,0,0,0,1,0|1,0,1]=4
32  B14R1.423  CC(C)COC(=O)Cc1ccccc1 A19004 [1,0,0,0,0,1|1,0,0]=3