0 B7R0.6 C(CC(=O)O)C(=O)O 5823 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)CCC(=O)O 6824 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.4 C(CC(=O)O)CN 6222 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.4 C=CCCC(=O)O 5031 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.4 CCCCC(=O)C 9447 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 CN(C)CCCCl 5846 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.9 CC(COC(=O)C=C)O 5526 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.9 COC(=O)CCC(=O)O 5776 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 5088 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.23 CC(C)CC(C(=O)O)N 5503 [0,1,0,0,0,0|0,0,0]=1 10 B8R0.23 CC(C)C[C@@H](C(=O)O)N 10688 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.29 C(CC(F)(F)F)C(=O)O 6037 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.3 C1CC(=O)CCC1O 10634 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.3 C1[C@@H](CC[C@H](C1)O)N 5467 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.3 CN1CCC(=O)CC1 6766 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.3 CN1CCC(=O)CC1 M0015 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.3 CN1CCC(CC1)O 5494 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.23 C1C(CC1=O)C(=O)O 6732 [0,0,0,1,0,0|1,0,1]=3 18 B6R0.2 B(CC(C)C)(O)O 8277 [0,0,0,0,1,0|1,0,1]=3 19 B6R0.2 CC(=CC(=O)O)C 9276 [0,0,0,0,1,0|0,0,2]=3 20 B6R0.2 CN(C)CC(=O)O 5083 [0,0,0,0,1,0|1,0,0]=2 21 B5R0.1 CN(C)CCCl 5994 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.2 C(C(CN)O)C(=O)O 8603 [1,1,0,0,0,0|1,0,0]=3 23 B7R0.2 CN(C)CC(CO)O 8841 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.3 COC(=O)CCCBr 9868 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.3 COC(=O)CCCN 8415 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.4 CCCC=CC(=O)[O-] 6126 [1,1,0,0,0,0|0,0,2]=4 27 B7R0.5 C(CN)C(C(=O)O)N 5486 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.5 C(CO)[C@@H](C(=O)O)N 10392 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.9 C(C(=O)O)C(F)(F)F 6038 [0,1,0,0,1,0|2,0,0]=4 31 B7R0.9 CC(=O)OC(C)(C)C 6849 [0,1,0,0,1,0|2,0,0]=4 32 B7R0.9 CC(C)(C)OC(=O)N 6675 [0,1,0,0,1,0|2,0,0]=4 33 B7R0.9 CC(C)(CC(=O)O)N 6592 [0,1,0,0,1,0|0,0,0]=2 34 B7R0.16 CN(C)C(=O)C(=O)O 8405 [0,1,0,0,1,0|1,0,1]=4 35 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 6845 [0,1,0,0,1,0|1,0,0]=3 36 B9R0.10 C(C(C(F)(F)F)N)C(=O)O 9881 [0,2,0,0,0,0|2,0,0]=4 37 B7R1.2 C1CC(=O)CC1=O 5093 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.3 C1CCC(=O)CC1 5327 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.3 C1CNC(=O)CN1 8468 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.3 C1CNCCC1=O 10646 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.3 C1CNCCC1=O 8608 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.3 C1COCCC1=O 9746 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.18 C1C(CN1)C(=O)O 10615 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.18 C1CC(C1)C(=O)O 8209 [1,0,0,1,0,0|0,0,0]=2 45 B7R1.20 C1CC1CC(=O)O 6163 [1,0,0,1,0,0|0,0,0]=2 46 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O 9022 [0,0,0,1,0,1|1,0,0]=3 47 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O H0099 [0,0,0,1,0,1|1,0,0]=3 48 B9R1.10 C1CC(CCC1=O)(F)F 6688 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.82 COC(=O)C1CC(=O)C1 8653 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.138 CC1(COC(=O)C1O)C 10180 [0,1,0,1,0,0|1,0,0]=3 51 B5R0.5 C[C@@H](C(=O)O)N 5042 [0,0,0,0,2,0|1,0,0]=3 52 B5R0.5 C[C@@H](C(=O)O)N 5087 [0,0,0,0,2,0|1,0,0]=3 53 B9R0.55 CC(=O)NCCCC(=O)O 9971 [0,0,0,0,0,2|1,0,1]=4