0  B14R1.42  COC1=C(O)C=CC(\C=C\C(C)=O)=C1 AE-562/43459152 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.42  COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 AF-467/00017042 [0,0,0,0,0,0|2,0,0]=2
2  B13R1.643  COC1=CC(SCC(=O)O)=CC=C1 AN-967/25120027 [1,0,0,0,0,0|2,0,1]=4
3  B13R1.643  COC1=CC(\C=C\C(=O)O)=CC=C1 AE-848/02128047 [1,0,0,0,0,0|1,0,0]=2
4  B13R1.643  COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 AE-848/00888055 [1,0,0,0,0,0|2,0,0]=3
5  B15R1.4038  COC1=C(O)C=CC(CC(O)C(=O)[O-])=C1 AN-308/25123009 [0,1,0,0,0,0|1,0,2]=4
6  B15R2.7688  O=C(O)\C=C\C1=CC=C2OCOC2=C1 CS-002/03843060 [0,0,0,1,0,0|1,0,0]=2
7  B12R1.21  CC(=O)CCC1=CC=C(O)C=C1 AE-473/30684056 [2,0,0,0,0,0|0,0,2]=4
8  B12R1.21  CC(=O)\C=C\C1=CC=C(Cl)C=C1 AJ-333/25022107 [2,0,0,0,0,0|1,0,0]=3
9  B12R1.21  CC1=CC=C(\C=C\C(=O)O)C=C1 AE-641/00135025 [2,0,0,0,0,0|2,0,0]=4
10  B12R1.21  CS(=O)\C=C/C1=CC=C(Cl)C=C1 AK-823/11520888 [2,0,0,0,0,0|2,0,0]=4
11  B12R1.21  O=C(O)\C=C\C1=CC=C(Cl)C=C1 AE-641/01605057 [2,0,0,0,0,0|2,0,0]=4
12  B12R1.21  O=C(O)\C=C\C1=CC=C(O)C=C1 AE-562/40414679 [2,0,0,0,0,0|1,0,0]=3
13  B12R1.226  CC(=O)\C=C\C1=CC(O)=CC=C1 AE-562/43459153 [2,0,0,0,0,0|0,0,0]=2
14  B12R1.226  CC1=CC(\C=C\C(=O)O)=CC=C1 AE-641/00365055 [2,0,0,0,0,0|1,0,0]=3
15  B12R1.226  NC1=CC(\C=C\C(=O)O)=CC=C1 AF-962/00508057 [2,0,0,0,0,0|2,0,0]=4
16  B12R1.226  O=C(O)\C=C\C1=CC(Cl)=CC=C1 AE-562/40896974 [2,0,0,0,0,0|2,0,0]=4
17  B12R1.226  O=C(O)\C=C\C1=CC=CC(Br)=C1 AE-641/00365058 [2,0,0,0,0,0|2,0,0]=4
18  B14R1.3653  COC1=CC=C(\C=C\[N+](=O)[O-])C=C1O AK-906/36708001 [1,1,0,0,0,0|2,0,0]=4
19  B14R2.4513  O=C1C=CC2=C(O1)C(O)=C(O)C=C2 AE-641/02519040 [1,0,0,1,0,0|1,0,0]=3
20  B14R2.2332  COC1=CC=C2OC(=O)C=CC2=C1 AR-683/40724488 [1,0,0,1,0,0|1,0,0]=3
21  B14R2.1008  O=C(O)CC1=CC2=C(C=C1)OCO2 AP-065/41718246 [0,0,0,1,1,0|1,0,1]=4
22  B16R2.12045  CC(=O)C1=C(O)C=CC2=C1OC(=O)C=C2 AN-829/13872055 [0,1,0,1,0,0|2,0,0]=4
23  B12R1.19  CC(=O)NC1=CC=C(C)C(C)=C1 AC-509/25002023 [1,0,0,0,1,0|2,0,0]=4
24  B12R1.19  CC(=O)NC1=CC=C(Cl)C(C)=C1 CS-003/03945048 [1,0,0,0,1,0|2,0,0]=4
25  B12R1.438  COC1=CC=CC(CC(=O)O)=C1 AE-562/43380772 [1,0,0,0,1,0|1,0,1]=4
26  B12R1.438  COC1=CC=CC(NC(C)=O)=C1 AH-034/32464024 [1,0,0,0,1,0|1,0,0]=3
27  B12R1.56  COC1=CC(C(C)=O)=CC=C1O AA-504/20839006 [0,0,0,0,2,0|0,0,0]=2