0 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 CC(=O)CCCBr BB31-6000 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.9 C=CC(=O)NCC(=O)O BB31-4277 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,0|2,0,1]=4 10 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.77 O=C(O)[C@@H]1CC1(F)F BB31-4050 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.77 O=C(O)[C@H]1CC1(F)F BB31-3198 [0,0,0,1,0,0|2,0,1]=4 19 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,0,0,0,0,1|2,0,0]=3 20 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [0,0,0,0,0,1|2,0,0]=3 21 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,0,0,0,0,1|1,0,1]=3 22 B5R0.1 CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 O=C(O)\C=C\Br BB31-5400 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.4 N#CCCCC(=O)O BB31-7795 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.4 NC(=O)CCCCO BB31-4574 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.4 O=C([O-])COCCO BB31-2744 [1,1,0,0,0,0|0,0,2]=4 30 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,1,0,0,0,1|2,0,0]=4 33 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O BB32-2964 [0,1,0,0,0,1|1,0,0]=3 34 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB32-3146 [0,1,0,0,0,1|0,0,1]=3 35 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7764 [0,1,0,0,0,1|0,0,0]=2 36 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7919 [0,1,0,0,0,1|0,0,0]=2 37 B9R0.23 COC(=O)[C@H](N)CC(N)=O BB32-0096 [0,2,0,0,0,0|1,0,0]=3 38 B9R0.24 CCC(=O)CCC(=O)CC BB31-4562 [0,2,0,0,0,0|2,0,0]=4 39 B9R0.42 COC(=O)CC(=O)C(=O)O BB31-1911 [0,2,0,0,0,0|0,0,1]=3 40 B9R0.42 COC(=O)C[C@@H](C)C(=O)O BB31-5539 [0,2,0,0,0,0|0,0,0]=2 41 B9R0.42 COC(=O)C[C@H](C)C(=O)O BB31-9056 [0,2,0,0,0,0|0,0,0]=2 42 B9R0.39 CN[C@@H](CC(N)=O)C(=O)O BB31-7264 [0,2,0,0,0,0|1,0,0]=3 43 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O BB32-3117 [0,2,0,0,0,0|0,0,0]=2 44 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.18 O=C(O)C1COC1 BB31-0382 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.35 CC(=O)N1CCC(=O)C1 BB32-2049 [0,0,0,1,0,1|2,0,0]=4 52 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,1,0,1|1,0,1]=4 53 B9R1.53 CC(=O)OC1CC(=O)C1 BB31-5047 [0,0,0,1,0,1|2,0,0]=4 54 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [0,0,0,1,0,1|0,0,0]=2 55 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [0,0,0,1,0,1|0,0,0]=2 56 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 BB32-3300 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.152 CC1(C(=O)O)CC(=O)C1 BB31-4490 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 BB31-2410 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.164 O=C(O)C1CS(=O)(=O)C1 BB31-1722 [0,1,0,1,0,0|1,0,1]=4 60 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,0,0,0,2,0|2,0,0]=4