0 B6R0.4 CC(=O)CCCBr BB31-6000 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 CCCCC(=N)N BB31-8730 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 COCCC(=N)N BB31-7023 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.4 COCOC(C)=O BB32-2824 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.4 NCCNC(N)=O BB32-3910 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.1 CC(O)CCBr BB32-3029 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 COCC(C)Br BB31-8127 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 C=CCCCI BB31-6966 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C=CCCCN BB31-4446 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 CCSCCN BB31-5588 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.3 C=C(CCl)OCOC BB31-5584 [0,1,0,0,0,0|2,1,0]=4 17 B7R0.4 COCCNC(N)=S BB31-0310 [0,1,0,0,0,0|2,1,0]=4 18 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.4 NC(=O)CCCCO BB31-4574 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.4 O=C([O-])COCCO BB31-2744 [0,1,0,0,0,0|2,1,0]=4 21 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.8 CS(=O)(=O)CCCCl BB32-2712 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.8 CS(=O)(=O)CCCN BB31-3020 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.8 CS(=O)(=O)NCCN BB31-3759 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,1,0,0|1,1,0]=3 35 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 CC1=CCNCC1 BB31-4858 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.3 NC1=NCCCN1 BB32-1452 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.3 O=C1CNCCO1 BB32-2655 [0,0,0,1,0,0|1,1,0]=3 41 B7R1.3 O=S1CCNCC1 BB32-3985 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.3 S=C1CCCCN1 BB31-1665 [0,0,0,1,0,0|1,1,0]=3 43 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.18 CC(N)C1CCC1 BB31-5264 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.18 N=C(N)C1CCC1 BB31-6957 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.18 NC(=S)C1CCC1 BB31-2990 [0,0,0,1,0,0|2,1,0]=4 56 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,0,0,1,0,0|3,0,0]=4 58 B4R0.2 C=CCCI BB31-6880 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.1 C#CCC(=O)OC BB32-1580 [1,1,0,0,0,0|0,0,2]=4 60 B6R0.1 CCCC(=O)CCl BB31-4027 [1,1,0,0,0,0|0,0,0]=2 61 B6R0.1 CN(C=O)CCO BB31-3078 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.1 NNC(=O)CCO BB31-4269 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.6 CNCCCCCl BB31-7841 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,2,0,0,0,0|1,0,0]=3 69 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,2,0,0,0,0|0,1,0]=3 78 B8R0.6 CCNCCC(=O)OC BB31-6215 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,2,0,0,0,0|0,1,0]=3 85 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,2,0,0,0,0|2,0,0]=4 86 B6R1.2 O=C1C=CCS1 BB32-1702 [1,0,0,1,0,0|0,0,2]=4 87 B6R1.5 CN1CC(=O)C1 BB31-3564 [1,0,0,1,0,0|1,0,0]=3 88 B6R1.5 O=C1CC(O)C1 BB31-5120 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.11 O=C(O)C1CO1 BB31-6282 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.1 C1=NCCCN1 BB31-3113 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.1 C1CCONC1 BB31-4954 [1,0,0,1,0,0|1,1,0]=4 93 B6R1.6 CNC1CCC1 BB31-5108 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.6 O=CC1COC1 BB31-1651 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.1 N#CC1CNC(=O)C1 BB31-6774 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,1,0,1,0,0|1,1,0]=4 99 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,1,0,1,0,0|1,1,0]=4 100 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,1,0,1,0,0|1,1,0]=4 101 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,1,0,1,0,0|1,1,0]=4 103 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,1,0,1,0,0|1,1,0]=4 105 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.18 CN1CC(N)CC1=O BB31-0910 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.40 COC(=O)CC1CC1 BB32-1998 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [0,1,0,1,0,0|0,1,0]=3 116 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,1,0,1,0,0|0,1,1]=4 117 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.5 CC1COCCC1=O BB31-0779 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.5 CN1CCOCC1=O BB31-4094 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.5 O=C1CCOCC1F BB32-3113 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.38 COC(=O)C1COC1 BB31-3226 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.38 O=C(CBr)C1CCC1 BB31-1832 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.38 O=C(CBr)N1CCC1 BB31-6413 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.6 COCC1CC(=O)C1 BB31-5157 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.6 N#CCC1CC(=O)C1 BB31-3932 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,1,0,1,0,0|0,1,0]=3 139 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.78 CC(=O)C1(C)COC1 BB31-9824 [0,1,0,1,0,0|2,0,0]=4 150 B8R2.53 O=C1CC2(CC2)C1 BB31-3929 [0,0,0,2,0,0|1,0,0]=3