0 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CC(=O)CCCBr BB31-6000 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 CCCCC(=N)N BB31-8730 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 COCOC(C)=O BB32-2824 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 NCCNC(N)=O BB32-3910 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.29 CC(C)NCC(C)(C)N BB32-0342 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [0,0,0,1,0,0|0,0,0]=1 31 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,0,0,0,1,0|2,0,0]=3 32 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,0,0,0,0,1|1,0,1]=3 33 B5R0.1 CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.1 COCC(C)Br BB31-8127 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.1 COCC(N)=O BB31-3207 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.3 C=C(CCl)OCOC BB31-5584 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.4 NC(=O)CCCCO BB31-4574 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.4 O=C([O-])COCCO BB31-2744 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.9 CC(O)CC(C)(C)C BB31-5872 [0,1,0,0,1,0|0,0,2]=4 43 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,1,0|1,0,0]=3 44 B7R0.16 CC(C)C(N)C(C)C BB32-2069 [0,1,0,0,1,0|1,0,1]=4 45 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,1,0,0,0,1|2,0,0]=4 46 B9R0.21 CCC(=O)CNC(C)(C)C BB54-2744 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.23 COC(=O)C(=O)CC(C)C BB31-6224 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.23 COC(=O)C(O)CC(C)C BB32-2157 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.43 COC(CNC(C)=O)OC BB32-3584 [0,2,0,0,0,0|1,0,0]=3 50 B9R0.48 CC(C)CNC(=O)CCN BB32-0238 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.48 CCOC(=O)OCC(C)C BB31-5205 [0,2,0,0,0,0|0,0,0]=2 52 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O BB31-5066 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.39 CC(C)C[C@@H](CN)C(=O)O BB31-9825 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-1945 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-4160 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O BB31-4655 [0,2,0,0,0,0|2,0,0]=4 57 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.2 O=C1CC(O)CO1 BB31-5337 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 CN1CC=CCC1 BB31-7198 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.3 O=C1CNCCO1 BB32-2655 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.3 OC1CC=CCC1 BB31-4823 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.3 S=C1CCCCN1 BB31-1665 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.10 COC1CC(=O)C1 BB31-4629 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.10 NCC1CC(=O)C1 BB31-2692 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.14 CC1(C)CCNC1 BB31-5023 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.14 CC1(C)COCN1 BB31-4898 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.18 CC(=O)N1CCC1 BB32-2755 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,0,0,1,1,0|1,0,0]=3 80 B7R1.16 CC1(C)CC(Br)C1 BB32-1942 [0,0,0,1,1,0|1,0,1]=4 81 B7R1.16 O=C1CC(F)(F)C1 BB31-1782 [0,0,0,1,1,0|2,0,0]=4 82 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,0,0,1,0,1|2,0,0]=4 83 B9R1.53 CC(=O)OC1CC(=O)C1 BB31-5047 [0,0,0,1,0,1|1,0,1]=4 84 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,0,0,1,0,1|1,0,0]=3 85 B9R1.1 CON1CCC(=O)CC1 BB31-8752 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.82 COC(=O)C1CC(Cl)C1 BB31-3084 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 BB32-3300 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.164 CC(=O)C1CC(F)(F)C1 BB31-3148 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 BB31-2410 [0,1,0,1,0,0|2,0,0]=4 95 B9R2.145 O=C(O)C12CC(C1)C2 BB32-1726 [0,0,0,2,0,0|2,0,0]=4 96 B9R2.143 O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|2,0,0]=4