0  B9R0.47  C(CCN)C[C@@H](C(=O)O)N ACT11895 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.7  C#CCCCCC(=O)O ACT09524 [1,0,0,0,0,0|1,0,2]=4
2  B8R0.8  CCCCC(C(=O)O)Br ACT02064 [1,0,0,0,0,0|1,0,2]=4
3  B10R0.98  C(CC(C(=O)O)N)CC(=O)O ACT09828 [0,1,0,0,0,0|2,0,0]=3
4  B10R1.113  C1CC(NC(=O)C1)C(=O)O ACT09643 [0,0,0,1,0,0|2,0,0]=3
5  B10R1.113  C1C[C@@H](NC(=O)C1)C(=O)O ACT10129 [0,0,0,1,0,0|2,0,0]=3
6  B10R1.113  C1C[C@H](NC(=O)C1)C(=O)O ACT09572 [0,0,0,1,0,0|2,0,0]=3
7  B7R0.1  C=CCSSCC=C ACT06167 [2,0,0,0,0,0|2,0,0]=4
8  B7R0.4  C(CCN)CC(=O)O ACT10888 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.5  C(CBr)C(C(=O)O)Br ACT09951 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.5  C(CN)C(C(=O)O)O ACT11882 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.5  C(CN)[C@@H](C(=O)O)O ACT02354 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.5  C=CC[C@@H](C(=O)O)N ACT02836 [2,0,0,0,0,0|0,0,0]=2
13  B9R0.55  C(CCC(=O)O)CC(=O)O ACT11881 [1,1,0,0,0,0|2,0,0]=4
14  B9R0.7  C(CC(=O)N)[C@@H](C(=O)O)N ACT11917 [1,1,0,0,0,0|1,0,0]=3
15  B9R0.7  C(CC(=O)O)[C@H](C(=O)O)N ACT08602 [1,1,0,0,0,0|1,0,0]=3
16  B9R1.35  C1C(N=C(S1)N)C(=O)O ACT05555 [1,0,0,1,0,0|1,0,1]=4
17  B9R1.35  C1CC(=O)N[C@@H]1C(=O)O ACT09037 [1,0,0,1,0,0|1,0,0]=3
18  B9R1.112  C1CC1C[C@H](C(=O)O)N ACT07808 [1,0,0,1,0,0|0,0,2]=4
19  B9R1.163  C1COCC1(C(=O)O)N ACT04474 [1,0,0,1,0,0|0,1,1]=4
20  B11R2.845  C1C2CC(C1C=C2)C(=O)O ACT11565 [0,0,0,2,0,0|2,0,0]=4