0 B8R0.9 C=CC(=O)NCC(=O)O BB31-4277 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 N#CCCCC(=O)O BB31-7795 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.4 NC(=O)CCCCO BB31-4574 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.6 CC(N)CCC(=O)O BB31-2419 [1,0,0,0,0,0|0,0,1]=2 5 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O BB32-2964 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,0,0,1,0,0|0,0,2]=3 9 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,0,0,1,0,0|0,0,2]=3 10 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,0,0,1,0,0|0,0,2]=3 11 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [0,0,0,1,0,0|1,0,1]=3 12 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.69 NC1CCC(=O)NC1=O BB31-4243 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.69 N[C@@H]1CCC(=O)NC1=O BB32-0560 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.147 CC1(CCC(=O)O)N=N1 BB31-4323 [0,0,0,1,0,0|3,0,0]=4 17 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,0,0,0,1,0|0,0,2]=3 18 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,0,0,0,1,0|0,0,2]=3 19 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 NCCNC(N)=O BB32-3910 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [1,1,0,0,0,0|2,0,0]=4 22 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [1,1,0,0,0,0|0,0,2]=4 23 B8R0.7 C#CCOCCC(=O)O BB32-2922 [1,1,0,0,0,0|0,0,2]=4 24 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [1,1,0,0,0,0|1,0,1]=4 27 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O BB31-7426 [0,2,0,0,0,0|1,0,0]=3 28 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O BB31-3055 [0,2,0,0,0,0|1,0,0]=3 29 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [1,0,0,1,0,0|0,0,0]=2 30 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.31 CC1CCC1C(=O)O BB31-4909 [1,0,0,1,0,0|0,0,2]=4 38 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.34 O=C(O)CC1COC1 BB31-1686 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [1,0,0,1,0,0|0,0,1]=3 42 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [1,0,0,1,0,0|0,0,1]=3 43 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.77 O=C(O)[C@@H]1CC1(F)F BB31-4050 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.77 O=C(O)[C@H]1CC1(F)F BB31-3198 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 BB31-4648 [0,0,0,1,0,1|2,0,0]=4 50 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,1,0,1,0,0|0,0,2]=4 51 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,1,0,1,0,0|0,0,1]=3 52 B10R1.66 O=C(O)CCC1=CNC=N1 BB31-7932 [0,1,0,1,0,0|0,0,2]=4 53 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [0,1,0,1,0,0|0,0,1]=3 54 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [0,1,0,1,0,0|0,0,2]=4 55 B10R1.66 O=C(O)CCN1C=NC=N1 BB53-0845 [0,1,0,1,0,0|1,0,1]=4 56 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,0,0,0,2,0|0,0,0]=2 57 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,0,0,0,2,0|1,0,1]=4