0 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5731 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O 9022 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O H0099 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 C1CC(=O)N[C@@H]1CO 10499 [1,0,0,0,0,0|0,0,1]=2 4 B8R1.1 C1CC(=O)N[C@H]1CO 9353 [1,0,0,0,0,0|0,0,1]=2 5 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [1,0,0,0,0,0|0,0,3]=4 7 B8R1.7 C1CC(NC1)C(=O)O 9203 [1,0,0,0,0,0|0,0,1]=2 8 B8R1.7 C1CCC(C1)C(=O)O 8636 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.7 C1COCC1C(=O)O 8251 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 C1CSC(N1)C(=O)O 9309 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] 9557 [1,0,0,0,0,0|0,0,3]=4 12 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 10266 [0,1,0,0,0,0|0,0,0]=1 13 B8R0.9 COC(=O)CCC(=O)O 5776 [0,0,1,0,0,0|2,0,0]=3 14 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 5088 [0,0,1,0,0,0|3,0,0]=4 15 B8R1.23 C1C(CC1=O)C(=O)O 6732 [0,0,0,0,1,0|1,0,0]=2 16 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,0,0,0,0,1|0,0,3]=4 17 B10R1.13 CN1CCC(CC1)C(=O)O M0072 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.13 C[NH+]1CCC(CC1)C(=O)O 5019 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [0,0,0,0,0,1|0,0,3]=4 20 B7R0.5 C(CN)C(C(=O)O)N 5486 [1,0,1,0,0,0|1,0,0]=3 21 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [1,0,1,0,0,0|2,0,0]=4 22 B7R0.5 C(CO)[C@@H](C(=O)O)N 10392 [1,0,1,0,0,0|0,0,1]=3 23 B7R0.6 C(CC(=O)O)C(=O)O 5823 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.6 CC(=O)CCC(=O)O 6824 [1,0,1,0,0,0|1,0,0]=3 25 B7R1.2 C1C(=O)NC(=O)S1 9422 [2,0,0,0,0,0|1,0,1]=4 26 B7R1.2 C1CC(=O)CC1=O 5093 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.47 C(CCN)CC(C(=O)O)N 6866 [0,1,1,0,0,0|1,0,1]=4 28 B9R0.47 C(CCN)C[C@@H](C(=O)O)N 6772 [0,1,1,0,0,0|1,0,1]=4 29 B9R0.53 C(C(=O)CC(=O)O)C(=O)O 6733 [0,1,1,0,0,0|1,0,1]=4 30 B9R1.163 C1CCC(C1)(C(=O)O)N 10137 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.82 COC(=O)C1CC(=O)C1 8653 [0,1,0,0,1,0|1,0,0]=3 32 B9R1.6 C1CC(CC=C1)C(=O)O 5455 [0,0,1,1,0,0|2,0,0]=4 33 B9R1.6 C1CC(CC=C1)C(=O)O 8425 [0,0,1,1,0,0|2,0,0]=4 34 B9R1.6 C1CCNC(C1)C(=O)O 5668 [0,0,1,1,0,0|1,0,1]=4 35 B9R1.6 C1CCNC(C1)C(=O)O 9852 [0,0,1,1,0,0|1,0,1]=4 36 B9R1.69 C1CC(=O)NC(=O)C1N 10503 [0,0,1,1,0,0|1,0,0]=3 37 B7R1.18 C1C(CN1)C(=O)O 10615 [1,0,0,0,1,0|1,0,1]=4 38 B7R1.18 C1CC(C1)C(=O)O 8209 [1,0,0,0,1,0|0,0,1]=3 39 B9R0.55 CC(=O)NCCCC(=O)O 9971 [0,0,1,0,0,1|1,0,0]=3