0  B14R1.3  COC1=CC=C(NC(=O)C(Cl)Cl)C=C1 CD04890 [0,0,0,0,0,0|3,0,1]=4
1  B14R1.3  COC1=CC=C(OC(C)C(=O)O)C=C1 RDR02440 [0,0,0,0,0,0|2,0,1]=3
2  B14R1.3  COC1=CC=C(\C=C(/C)[N+](=O)[O-])C=C1 S04334 [0,0,0,0,0,0|2,0,2]=4
3  B13R1.3  COC1=CC=C(OCC(N)=O)C=C1 SPB08002 [1,0,0,0,0,0|2,0,1]=4
4  B13R1.3  COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S01396 [1,0,0,0,0,0|1,0,2]=4
5  B15R1.208  COC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 JFD03251 [0,1,0,0,0,0|1,0,1]=3
6  B15R1.208  COC1=CC=C(\C=C(/C#N)C(N)=O)C=C1 HTS12676 [0,1,0,0,0,0|2,0,1]=4
7  B15R2.4834  COC1=CC=C2NC(C(=O)O)=CC2=C1 BTB14051 [0,0,0,1,0,0|2,0,0]=3
8  B15R1.204  COC1=CC=C(NC(=O)CC(C)=O)C=C1 BTB04711 [0,0,0,0,0,1|2,0,0]=3
9  B12R1.21  CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [2,0,0,0,0,0|0,0,1]=3
10  B12R1.21  CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [2,0,0,0,0,0|1,0,1]=4
11  B12R1.4  COC1=CC=C(CC(N)=S)C=C1 DP01386 [2,0,0,0,0,0|1,1,0]=4
12  B12R1.4  COC1=CC=C(NC(N)=O)C=C1 NRB04513 [2,0,0,0,0,0|2,0,0]=4
13  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [2,0,0,0,0,0|1,0,1]=4
14  B14R1.142  CCOC1=CC=C(CCC(=O)O)C=C1 XBX00229 [1,1,0,0,0,0|0,0,1]=3
15  B14R1.954  COC1=CC=C(NC(=O)\C=N\O)C=C1 BTB00634 [1,1,0,0,0,0|1,0,0]=3
16  B14R1.134  COC(=O)C(N)CC1=CC=C(O)C=C1 BTB06642 [1,1,0,0,0,0|1,0,1]=4
17  B14R1.536  CC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 JFD03253 [1,1,0,0,0,0|1,0,1]=4
18  B14R2.2332  COC1=CC=C2CC(=O)CCC2=C1 NRB01650 [1,0,0,1,0,0|1,0,1]=4
19  B14R2.4529  CC1=CC2=C(C=C1)SC(C(=O)O)=C2 MO00911 [1,0,0,1,0,0|2,0,0]=4
20  B14R2.4529  CC1=CC=C2NC(C(=O)O)=CC2=C1 JFD03921 [1,0,0,1,0,0|2,0,0]=4
21  B16R2.50  COC1=CC=C(C2NC(=O)NC2=O)C=C1 JFD00506 [0,0,0,1,0,1|1,0,0]=3
22  B16R2.7604  COC(=O)C1=CC2=CC(OC)=CC=C2N1 RH01702 [0,1,0,1,0,0|2,0,0]=4
23  B16R2.7486  COC1=CC=C2C=C(C(=O)O)C=CC2=C1 TL00772 [0,1,0,1,0,0|1,0,1]=4
24  B12R1.5  COC1=CC=C(C(=O)NN)C=C1 BTB00865 [1,0,0,0,1,0|2,0,0]=4
25  B14R1.4  COC1=CC=C(OCCC(=O)O)C=C1 SEW04596 [1,0,0,0,0,1|0,0,1]=3
26  B16R1.4  CCC1=CC=C(NC(=O)\C=C\C(=O)O)C=C1 S03807 [0,0,0,0,0,2|2,0,0]=4
27  B16R1.4  COC1=CC=C(NC(=O)\C=C\C(=O)O)C=C1 S01322 [0,0,0,0,0,2|1,0,0]=3
28  B16R1.4  CSC1=CC=C(NC(=O)\C=C\C(=O)O)C=C1 S03868 [0,0,0,0,0,2|1,1,0]=4