0  B14R1.3  COC1=CC=C(NC(=S)C(N)=O)C=C1 8667-1-44 [0,0,0,0,0,0|2,1,0]=3
1  B14R1.3  COC1=CC=C(OC(C)C(C)=O)C=C1 2617-1-0J [0,0,0,0,0,0|3,0,1]=4
2  B13R1.5  COC(=O)CC1=CC=C(OC)N=C1 4H23-1-JS [1,0,0,0,0,0|3,0,0]=4
3  B13R1.133  CC(=O)C(=O)NC1=CC=C(Cl)C=C1 4648-5-0F [1,0,0,0,0,0|3,0,0]=4
4  B13R1.133  N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [1,0,0,0,0,0|1,0,1]=3
5  B13R1.133  O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [1,0,0,0,0,0|1,0,2]=4
6  B13R1.133  O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [1,0,0,0,0,0|1,0,2]=4
7  B13R1.133  O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [1,0,0,0,0,0|1,0,2]=4
8  B13R1.133  O=C(O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R0 [1,0,0,0,0,0|1,0,2]=4
9  B15R2.4834  COC1=CC=C2N=C(C(N)=O)SC2=C1 8H48-1-24 [0,0,0,1,0,0|2,1,0]=4
10  B13R1.36  COC1=CC=C([C@H](O)C(=O)O)C=C1 2629-1-S3 [0,0,0,0,1,0|0,0,2]=3
11  B12R1.21  CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [2,0,0,0,0,0|1,0,1]=4
12  B12R1.21  CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [2,0,0,0,0,0|2,0,0]=4
13  B12R1.21  O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [2,0,0,0,0,0|0,1,1]=4
14  B12R1.4  O=C(O)CC1=CC=C(CCl)C=C1 2721-5-31 [2,0,0,0,0,0|2,0,0]=4
15  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [2,0,0,0,0,0|0,0,0]=2
16  B14R1.3653  COC1=CC=C(CCC(=O)O)C=C1F 2621-3-4J [1,1,0,0,0,0|0,0,1]=3
17  B14R1.536  N#CC(CC1=CC=C(O)C=C1)C(=O)O 4637-1-80 [1,1,0,0,0,0|1,0,1]=4
18  B14R1.213  COC1=CC=C(C(F)(F)C(=O)O)C=C1 2621-3-4S [0,1,0,0,1,0|1,0,1]=4
19  B14R2.4402  CC1=CC=C(C2OC2C(=O)O)C=C1 2721-1-2N [1,0,0,1,0,0|0,0,2]=4
20  B14R2.4529  CC1=CC=C2OC(C(=O)O)=CC2=C1 2H21-1-0P [1,0,0,1,0,0|2,0,0]=4
21  B16R2.50  COC1=CC=C(C2=CC(=O)OC2=O)C=C1 2H26-1-0A [0,0,0,1,0,1|1,0,1]=4
22  B16R2.50  COC1=CC=C(C2NC(=O)NC2=O)C=C1 4H48-1-WL [0,0,0,1,0,1|1,0,0]=3
23  B16R2.7604  COC(=O)C1=CC2=CC=C(OC)C=C2O1 2H23-1-66 [0,1,0,1,0,0|0,0,2]=4
24  B16R2.7604  COC(=O)C1=CC2=CC=C(OC)C=C2S1 6H66-1-88 [0,1,0,1,0,0|0,1,1]=4
25  B16R2.7604  COC(=O)C1CC2=CC=C(OC)C=C2O1 2H23-1-70 [0,1,0,1,0,0|0,0,2]=4
26  B16R2.37661  COC1=CC=C2NC(=O)C(C=O)=CC2=C1 4H56-1-544 [0,1,0,1,0,0|2,0,0]=4
27  B16R2.7486  COC1=CC2=NC=C(C(=O)O)C=C2C=C1 4H21-1-BU [0,1,0,1,0,0|1,0,1]=4
28  B12R1.5  COC1=CC=C(N(C)C=O)C=C1 4648-1-5D [1,0,0,0,1,0|2,0,0]=4