0  B14R1.42  COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 BB32-2250 [0,0,0,0,0,0|2,0,0]=2
1  B13R1.511  O=C(O)CCC1=CC(Br)=C(O)C=C1 BB31-3957 [1,0,0,0,0,0|2,0,0]=3
2  B13R1.575  COC1=C(O)C=CC(CCCO)=C1 BB31-6125 [1,0,0,0,0,0|0,0,2]=3
3  B13R1.643  COC1=NC=CC(CCC(=O)O)=C1 BB31-0308 [1,0,0,0,0,0|2,0,0]=3
4  B15R1.531  CCOC1=C(O)C=CC(CCC(C)=O)=C1 BB32-3539 [0,1,0,0,0,0|0,0,0]=1
5  B15R2.7688  O=C(O)CNC1=CC2=C(C=C1)OCO2 BB52-9503 [0,0,0,1,0,0|2,0,0]=3
6  B15R2.7688  O=C(O)COC1=CC=C2OCOC2=C1 BB52-7368 [0,0,0,1,0,0|2,0,0]=3
7  B12R1.21  NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [2,0,0,0,0,0|2,0,0]=4
8  B12R1.21  NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [2,0,0,0,0,0|1,0,0]=3
9  B12R1.21  NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [2,0,0,0,0,0|2,0,0]=4
10  B14R1.686  N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB31-5790 [1,1,0,0,0,0|2,0,0]=4
11  B14R1.686  O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 BB32-1699 [1,1,0,0,0,0|1,0,1]=4
12  B14R1.3653  COC1=C(O)C=C(CCC(=O)O)C=C1 BB31-8944 [1,1,0,0,0,0|1,0,0]=3
13  B14R1.3405  COC(=O)CC1=CC(OC)=C(O)C=C1 BB31-3088 [1,1,0,0,0,0|1,0,1]=4
14  B14R1.2335  COC1=CC(CCC(=O)O)=C(Br)C=C1 BB32-3769 [1,1,0,0,0,0|1,0,0]=3
15  B14R1.2335  CSC1=CC(CCC(=O)O)=C(O)C=C1 BB32-0391 [1,1,0,0,0,0|1,1,0]=4
16  B16R1.423  COC1=CC(CCC(=O)O)=CC(OC)=C1O BB31-2857 [0,2,0,0,0,0|1,0,0]=3
17  B16R1.20040  COC1=CC(Br)=C(CCC(=O)O)C=C1OC BB32-2339 [0,2,0,0,0,0|1,0,0]=3
18  B14R2.130  COC1=CC=CC(C2CC(=O)N2)=C1 BB54-4994 [1,0,0,1,0,0|1,0,0]=3
19  B14R2.2332  COC1=CC2=C(C=C1)CC(N)CC2 BB32-1894 [1,0,0,1,0,0|1,0,1]=4
20  B14R2.2332  COC1=CC2=C(C=C1)OC(=O)CC2 BB31-4131 [1,0,0,1,0,0|1,0,0]=3
21  B16R2.27160  O=C(O)CCNC1=CC2=C(C=C1)OCO2 BB53-1021 [0,0,0,1,0,1|1,0,0]=3
22  B16R2.1357  COC(=O)COC1=CC=C2OCOC2=C1 BB52-7367 [0,1,0,1,0,0|1,0,0]=3
23  B16R2.1461  COC1=C(OC)C=C2CC(=O)OCC2=C1 BB52-0496 [0,1,0,1,0,0|1,0,0]=3
24  B16R2.1461  COC1=CC2=C(C=C1OC)CC(=O)CC2 BB31-4295 [0,1,0,1,0,0|0,0,0]=2
25  B16R2.36419  COC1=CC2=C(C=C1OC)C(C(=O)O)C2 BB32-2160 [0,1,0,1,0,0|1,0,0]=3
26  B12R1.19  CC(=O)CC1=CC(Cl)=C(Cl)C=C1 BB31-5747 [1,0,0,0,1,0|2,0,0]=4
27  B12R1.438  COC1=CC=CC(CC(=O)O)=N1 BB31-5579 [1,0,0,0,1,0|2,0,0]=4
28  B12R1.56  COC1=C(O)C=CC(C(C)O)=C1 BB31-4303 [0,0,0,0,2,0|0,0,2]=4