0 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 CC(O)CCBr BB32-3029 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 COCC(C)Br BB31-8127 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,0,0,0,0,0|1,1,0]=3 13 B5R0.5 CC(=O)C(N)=O BB32-3571 [1,0,0,0,0,0|1,1,1]=4 14 B7R0.5 CC(C)C(C)CCO BB31-7531 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.5 CC(C)C(N)CCO BB31-5763 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.10 COC(=O)C(C)CN BB31-6417 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.13 CC(=O)C(C)(C)CO BB32-0806 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.13 CC(C)(CN)C(=O)O BB31-3976 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.13 CC(C)(CN)C(=O)O BB31-5761 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.13 C[C@@](N)(CO)C(=O)O BB31-6838 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.13 NCC(F)(F)C(=O)O BB31-0714 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.13 NCC(F)(F)C(=O)O BB32-1782 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,1,0,0,0,0|2,1,0]=4 28 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [0,1,0,0,0,0|2,1,0]=4 29 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.16 CC(C)C(N)C(C)C BB32-2069 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.4 NC1CCNC1=O BB31-0754 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.4 NC1CCOC1=O BB52-6516 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.18 CC(N)C1CCC1 BB31-5264 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.18 N=C(N)C1CCC1 BB31-6957 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.18 NC(=S)C1CCC1 BB31-2990 [0,0,0,1,0,0|2,1,0]=4 43 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.19 CC1(C(N)=O)CC1 BB31-3052 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.22 CCC(N)C1CC1 BB31-5288 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.22 CCC(O)C1CC1 BB32-0693 [0,0,0,1,0,0|1,1,1]=4 49 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,0,0,0,0,1|2,0,0]=3 50 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,0,0,0,0,1|2,0,0]=3 51 B4R0.2 C=CCCI BB31-6880 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.1 C#CCC(=O)OC BB32-1580 [1,1,0,0,0,0|0,0,2]=4 53 B6R0.1 CCCC(=O)CCl BB31-4027 [1,1,0,0,0,0|0,0,0]=2 54 B6R0.1 CN(C=O)CCO BB31-3078 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.1 NNC(=O)CCO BB31-4269 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.4 CC(=O)CCCBr BB31-6000 [1,1,0,0,0,0|0,0,0]=2 58 B6R0.4 CCCCC(=N)N BB31-8730 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.4 COCCC(=N)N BB31-7023 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 COCOC(C)=O BB32-2824 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.4 NCCNC(N)=O BB32-3910 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.9 CCC(C#N)CC BB32-3543 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.9 CCC(CC)NC BB31-6271 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.9 CCC(CC)NN BB31-5111 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,1,0,0,0,1|1,0,0]=3 67 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,1,0,0,0,1|2,0,0]=4 68 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,1,0,0,0,1|2,0,0]=4 69 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [0,1,0,0,0,1|0,1,0]=3 70 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,1,0,0,0,1|2,0,0]=4 71 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,1|2,0,0]=4 72 B8R0.3 CCOC(=O)[C@@H](C)OC BB31-7778 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.20 CCN(CC)C(=O)CN BB31-5658 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.36 CCC(C)(CC)C(=O)O BB31-3894 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [0,2,0,0,0,0|1,1,0]=4 78 B8R0.27 CC(C)(C)[C@H](O)C(=O)O BB31-5424 [0,2,0,0,0,0|1,1,0]=4 79 B8R0.27 CC(C)(O)[C@H](N)C(=O)O BB31-5147 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [0,2,0,0,0,0|2,0,0]=4 82 B6R1.5 CN1CC(=O)C1 BB31-3564 [1,0,0,1,0,0|1,0,0]=3 83 B6R1.5 O=C1CC(O)C1 BB31-5120 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.11 O=C(O)C1CO1 BB31-6282 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.6 CNC1CCC1 BB31-5108 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.6 O=CC1COC1 BB31-1651 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.7 CCC1(N)CC1 BB31-3439 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,0,0,1,0,1|2,0,0]=4 90 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,0,0,1,0,1|2,0,0]=4 91 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,1,0,1|2,0,0]=4 92 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,0,0,1,0,1|2,0,0]=4 93 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,0,1,0,1|2,0,0]=4 94 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,0,0,1,0,1|2,0,0]=4 95 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,0,0,1,0,1|0,1,0]=3 96 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,0,0,1,0,1|1,1,0]=4 97 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,1,0,1|2,0,0]=4 98 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,1,0,1|2,0,0]=4 99 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,0,0,1,0,1|2,0,0]=4 100 B8R1.5 CC1COCCC1=O BB31-0779 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.5 CN1CCOCC1=O BB31-4094 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.5 O=C1CCOCC1F BB32-3113 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,1,0,1,0,0|0,1,0]=3 108 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.19 O=C1NCCC1(F)F BB31-3179 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.78 CC(=O)C1(C)COC1 BB31-9824 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.78 O=C(O)C1(O)COC1 BB31-2829 [0,1,0,1,0,0|1,1,0]=4 121 B8R1.38 COC(=O)C1COC1 BB31-3226 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.38 O=C(CBr)C1CCC1 BB31-1832 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.38 O=C(CBr)N1CCC1 BB31-6413 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,1,0,1,0,0|0,1,1]=4 125 B8R1.63 CCC1(C(=O)O)CC1 BB31-2928 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.63 COC1(C(=O)O)CC1 BB31-0109 [0,1,0,1,0,0|1,1,0]=4 127 B8R1.63 O=C(O)C1(CF)CC1 BB31-1780 [0,1,0,1,0,0|2,0,0]=4 128 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,0,0,0,0,2|1,0,0]=3