0 B7R0.6 C(=C/C(=O)O)/C(=O)N 5513 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 C(=O)(N)\N=N\C(=O)N 5884 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C(CC(=O)O)C(=O)O 5823 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 CC(=O)CCC(=O)O 6824 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.4 C(CC(=O)O)CN 6222 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 C=CCCC(=O)O 5031 [1,0,0,0,0,0|0,0,1]=2 6 B6R0.4 CCCCC(=O)C 9447 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.9 COC(=O)CCC(=O)O 5776 [0,1,0,0,0,0|0,0,0]=1 8 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 5088 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.23 C=C(CC(=O)O)C(=O)O 5233 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.23 CC(C)CC(C(=O)O)N 5503 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.23 CC(C)C[C@@H](C(=O)O)N 10688 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.29 C(CC(F)(F)F)C(=O)O 6037 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.3 C1CC(=O)CCC1O 10634 [0,0,0,1,0,0|1,0,1]=3 14 B8R1.3 CN1CCC(=O)CC1 6766 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.3 CN1CCC(=O)CC1 M0015 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.23 C1C(CC1=O)C(=O)O 6732 [0,0,0,1,0,0|0,0,0]=1 17 B6R0.2 CC(=CC(=O)O)C 9276 [0,0,0,0,1,0|1,0,1]=3 18 B6R0.2 CN(C)CC(=O)O 5083 [0,0,0,0,1,0|2,0,0]=3 19 B5R0.2 C(=O)NNC=O 6872 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.2 C(C(CN)O)C(=O)O 8603 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.3 COC(=O)CCCBr 9868 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.3 COC(=O)CCCN 8415 [1,1,0,0,0,0|1,0,1]=4 23 B7R0.5 C(CN)C(C(=O)O)N 5486 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.5 C(CO)[C@@H](C(=O)O)N 10392 [1,1,0,0,0,0|0,0,2]=4 26 B7R0.9 CC(C)(CC(=O)O)N 6592 [0,1,0,0,1,0|1,0,1]=4 27 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 6845 [0,1,0,0,1,0|0,0,2]=4 28 B9R0.53 C(C(=O)CC(=O)O)C(=O)O 6733 [0,1,0,0,0,1|1,0,0]=3 29 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br 5774 [0,2,0,0,0,0|1,0,0]=3 30 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br 9043 [0,2,0,0,0,0|1,0,0]=3 31 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O 5766 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O 5768 [0,2,0,0,0,0|1,0,0]=3 33 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O 5931 [0,2,0,0,0,0|1,0,0]=3 34 B7R1.2 C1C(=O)NC(=O)S1 9422 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.2 C1CC(=O)CC1=O 5093 [1,0,0,1,0,0|0,0,0]=2 36 B7R1.3 C1CCC(=O)CC1 5327 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.3 C1CNCCC1=O 10646 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 C1CNCCC1=O 8608 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.3 C1COCCC1=O 9746 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.18 C1C(CN1)C(=O)O 10615 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.18 C1CC(C1)C(=O)O 8209 [1,0,0,1,0,0|0,0,1]=3 42 B7R1.20 C1CC1CC(=O)O 6163 [1,0,0,1,0,0|0,0,1]=3 43 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5731 [0,0,0,1,0,1|1,0,0]=3 44 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O 9022 [0,0,0,1,0,1|0,0,2]=4 45 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O H0099 [0,0,0,1,0,1|0,0,2]=4 46 B9R1.82 COC(=O)C1CC(=O)C1 8653 [0,1,0,1,0,0|0,0,0]=2 47 B5R0.5 C[C@@H](C(=O)O)N 5042 [0,0,0,0,2,0|1,0,1]=4 48 B5R0.5 C[C@@H](C(=O)O)N 5087 [0,0,0,0,2,0|1,0,1]=4 49 B9R0.55 CC(=O)NCCCC(=O)O 9971 [0,0,0,0,0,2|0,0,0]=2