0 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,0,0,0,0|1,0,0]=2 2 B5R0.1 CC(O)CCBr BB32-3029 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 CNCC(F)F BB31-9778 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 COCC(C)Br BB31-8127 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 C[C@H](N)CC#N BB31-5263 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 CC(C)CC(N)C#N BB31-5651 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.9 CC(O)CC(C)(C)C BB31-5872 [0,1,0,0,0,0|0,0,2]=3 12 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.16 CC(C)C(N)C(C)C BB32-2069 [0,1,0,0,0,0|1,0,1]=3 14 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.16 CC1(C)CC(Br)C1 BB32-1942 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.16 C[C@]1(N)C[C@H](O)C1 BB31-2494 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.16 O=C1CC(F)(F)C1 BB31-1782 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.16 O=S1(=O)CC(O)C1 BB31-7627 [0,0,0,1,0,0|3,0,0]=4 35 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,0,0,0,1,0|2,0,1]=4 36 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,1|1,0,0]=2 37 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,0,0,0,0,1|1,0,0]=2 38 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,0,0,0,0,1|2,0,0]=3 39 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,1|2,0,0]=3 40 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,0,0,0,0,1|2,0,0]=3 41 B4R0.2 C=CCCI BB31-6880 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.1 C#CCC(=O)OC BB32-1580 [1,1,0,0,0,0|0,0,2]=4 43 B6R0.1 CCCC(=O)CCl BB31-4027 [1,1,0,0,0,0|0,0,0]=2 44 B6R0.1 CN(C=O)CCO BB31-3078 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.1 C[C@@H](CO)CCN BB31-5417 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.1 NNC(=O)CCO BB31-4269 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.4 CC(=O)CCCBr BB31-6000 [1,1,0,0,0,0|0,0,0]=2 51 B6R0.4 CCCCC(=N)N BB31-8730 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 COCCC(=N)N BB31-7023 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 COCOC(C)=O BB32-2824 [1,1,0,0,0,0|1,0,0]=3 54 B6R0.4 NCCNC(N)=O BB32-3910 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.5 CC(C)(C)CCN BB31-4614 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.5 COCC(C)(C)N BB31-4342 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,1,0,0,0,1|0,0,0]=2 59 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,1,0,0,0,1|0,0,0]=2 60 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,1,0,0,0,1|1,0,1]=4 61 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,1,0,0,0,1|1,0,0]=3 62 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,1,0,0,0,1|0,0,1]=3 63 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,1|1,0,0]=3 64 B8R0.29 CC(C)NCC(C)(C)N BB32-0342 [0,1,0,0,0,1|1,0,1]=4 65 B8R0.2 COC(=O)C(C)C(C)=O BB32-0377 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O BB31-5226 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,2,0,0,0,0|1,0,0]=3 68 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,2,0,0,0,0|0,0,0]=2 69 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,2,0,0,0,0|1,0,0]=3 71 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.24 CNC(=O)CS(C)(=O)=O BB31-1770 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.24 COC(=O)CC(C)(C)O BB32-3552 [0,2,0,0,0,0|0,0,0]=2 75 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [0,2,0,0,0,0|1,0,0]=3 76 B8R0.27 CC(C)(C)[C@H](O)C(=O)O BB31-5424 [0,2,0,0,0,0|1,0,0]=3 77 B8R0.27 CC(C)(O)[C@H](N)C(=O)O BB31-5147 [0,2,0,0,0,0|1,0,0]=3 78 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [0,2,0,0,0,0|1,0,0]=3 80 B6R1.2 BrC1CCSC1 BB52-7755 [1,0,0,1,0,0|2,0,0]=4 81 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [1,0,0,1,0,0|1,0,0]=3 82 B6R1.2 C[C@H]1CCNC1 BB31-5082 [1,0,0,1,0,0|1,0,0]=3 83 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.2 NC1CCSC1 BB52-7752 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.2 OC1CCSC1 BB52-7751 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.3 BrCCC1CC1 BB31-5305 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.3 CCNC1CC1 BB31-5032 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.3 ICCC1CC1 BB32-1715 [1,0,0,1,0,0|1,0,1]=4 89 B6R1.3 NNCC1CC1 BB31-6121 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.3 NNCC1CC1 BB31-9304 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.3 NOCC1CC1 BB31-6884 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.5 CN1CC(=O)C1 BB31-3564 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.5 CN1CC(N)C1 BB31-5035 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.5 CN1CC(O)C1 BB31-5794 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.5 O=C1CC(O)C1 BB31-5120 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.10 CC1(C)CCN1 BB31-8862 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.10 CC1(N)CNC1 BB31-1091 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.11 O=C(O)C1CO1 BB31-6282 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,0,0,1,0,1|1,0,0]=3 101 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [0,0,0,1,0,1|0,0,2]=4 102 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,0,0,1,0,1|1,0,1]=4 103 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [0,0,0,1,0,1|0,0,2]=4 104 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,0,0,1,0,1|1,0,0]=3 105 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,0,0,1,0,1|1,0,0]=3 106 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,0,0,1,0,1|1,0,0]=3 107 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,0,0,1,0,1|1,0,0]=3 108 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,0,0,1,0,1|2,0,0]=4 109 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,0,0,1,0,1|2,0,0]=4 110 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,0,0,1,0,1|2,0,0]=4 111 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,0,0,1,0,1|2,0,0]=4 112 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,0,0,1,0,1|2,0,0]=4 113 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,0,0,1,0,1|1,0,0]=3 114 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [0,0,0,1,0,1|0,0,0]=2 115 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,1,0,1,0,0|0,0,2]=4 117 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,1,0,1,0,0|0,0,1]=3 118 B8R1.1 N#CC1CNC(=O)C1 BB31-6774 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.1 OCC1CCN(C)C1 BB52-8882 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,1,0,1,0,0|0,0,0]=2 125 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-0644 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-9150 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 C[C@@H]1CNC[C@H](C)C1 BB31-2797 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,1,0,1,0,0|0,0,0]=2 132 B8R1.4 C[C@H]1CN(C)CCN1 BB31-0643 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.18 CN1CC(N)CC1=O BB31-0910 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.40 COC(=O)CC1CC1 BB32-1998 [0,1,0,1,0,0|0,0,0]=2 141 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 BB31-2767 [0,1,0,1,0,0|0,0,2]=4 143 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,1,0,1,0,0|1,0,1]=4 144 B8R2.53 O=C1CC2(CC2)C1 BB31-3929 [0,0,0,2,0,0|0,0,0]=2 145 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,0,0,0,0,2|1,0,1]=4