0 B5R0.3 CC(C#N)CCl BB01-7479 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CC(CN)CO BB57-2245 [0,0,0,0,0,0|1,1,0]=2 2 B5R0.3 CCC(C)NC BB53-1672 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CC\C(N)=N\O BB12-3467 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.3 CNC(=O)CBr BB55-6801 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CNC(=O)CO BB58-0349 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.3 CNC(C)CO BB12-1570 [0,0,0,0,0,0|1,1,0]=2 7 B5R0.3 COC(C)C#N BB57-3722 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 COC(C)CN BB55-4647 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 NNC(=O)CS BB58-4379 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC(C)NN BB54-0473 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(N)CO BB01-7506 [1,0,0,0,0,0|1,1,0]=3 13 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C[C@H](N)CO BB20-1224 [1,0,0,0,0,0|1,1,0]=3 15 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 CNCCCl BB57-4776 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 CNCCI BB57-4692 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CC(CN)CCN BB12-1906 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.1 CCCC(O)CN BB58-4054 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CCNC(C)CO BB12-1659 [0,1,0,0,0,0|0,1,0]=2 24 B6R0.1 CCOC(=N)CC BB57-3767 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.1 CCOC(=N)CCl BB57-3987 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 CCOC(C)CN BB57-2923 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|1,1,0]=3 28 B6R0.1 CNC(C)CCO BB05-4613 [0,1,0,0,0,0|1,1,0]=3 29 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|1,1,0]=3 30 B6R0.1 CNCC(C)OC BB55-4648 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.1 COC(C)CCN BB57-3649 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.1 COCC(C)C#N BB55-7988 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.1 COCC(O)CN BB55-6376 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.3 CC(C#N)N(C)C BB57-2435 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 CC(C)C(N)CO BB01-7497 [0,1,0,0,0,0|1,1,0]=3 36 B6R0.3 CC(C)C(O)C#N BB57-3716 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 CC(C)C(O)CN BB58-1333 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 CC(CN)N(C)C BB12-3256 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|2,1,0]=4 40 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.8 C#CC(C)(C)OC BB54-2813 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.8 C#CC(C)(N)CC BB54-0427 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.8 C#CC(C)(O)CC BB54-0603 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.8 C=CC(C)(C)CO BB57-4301 [0,1,0,0,0,0|0,1,2]=4 48 B6R0.8 CC(C)(C#N)CO BB57-1057 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.8 CC(C)(CN)CO BB57-1061 [0,1,0,0,0,0|1,1,0]=3 50 B6R0.8 CCC(C)(N)CC BB58-0626 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.8 CCC(C)(N)CO BB56-2220 [0,1,0,0,0,0|0,1,0]=2 52 B6R0.8 CCC(C)(O)C#N BB58-5232 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.8 CCC(C)(O)CN BB58-5227 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.8 COC(C)(C)CN BB55-4624 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.9 CCC(C#N)NC BB12-1702 [0,1,0,0,0,0|1,0,1]=3 56 B6R1.2 NC1CCOC1 BB55-5168 [0,0,0,1,0,0|1,1,0]=3 57 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|2,1,0]=4 58 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.6 CNC1CCC1 BB58-0080 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.6 NCC1CCC1 BB12-1679 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.7 CC1(CN)CC1 BB58-3753 [0,0,0,1,0,0|1,0,0]=2 62 B6R1.7 CCC1(N)CC1 BB58-3768 [0,0,0,1,0,0|2,0,0]=3 63 B3R0.1 CNOC BB01-7679 [2,0,0,0,0,0|2,0,0]=4 64 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|1,1,0]=4 67 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|0,1,1]=4 69 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|0,1,0]=3 70 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|1,1,0]=4 71 B5R0.4 C#CC(C)(C)N BB54-0057 [1,1,0,0,0,0|0,0,2]=4 72 B5R0.4 CC(C)(C)NN BB01-7814 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.4 CC(C)(N)C#N BB55-6333 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.4 CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|0,1,0]=3 75 B5R0.4 CC(C)(O)CBr BB58-5360 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.5 CC(C)C(=N)N BB20-1445 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 CCC#CCO BB58-4730 [1,1,0,0,0,0|0,1,1]=4 78 B5R0.2 CCSCCN BB53-1545 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.2 CCSCCO BB54-1799 [1,1,0,0,0,0|0,1,0]=3 80 B5R0.2 CNCCSC BB57-4145 [1,1,0,0,0,0|1,0,0]=3 81 B5R0.2 COCCNN BB58-0266 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.2 CSCCC#N BB12-3714 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.2 N#CCCCN BB58-1324 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.2 N#CCCCO BB58-5314 [1,1,0,0,0,0|0,1,1]=4 85 B5R0.2 NNCCCO BB58-0747 [1,1,0,0,0,0|1,1,0]=4 86 B5R0.2 OCCCCCl BB54-0721 [1,1,0,0,0,0|0,1,0]=3 87 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.2 CC(C#N)CN(C)C BB12-1399 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.2 CC(C)CC(O)CN BB58-4053 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,2,0,0,0,0|0,1,0]=3 92 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,2,0,0,0,0|0,1,1]=4 93 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|1,1,0]=4 94 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,2,0,0,0,0|1,1,0]=4 95 B7R0.2 CN(C)CC(O)CN BB57-3763 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|1,1,0]=4 97 B7R0.3 CCCCC(N)CO BB56-2048 [0,2,0,0,0,0|1,1,0]=4 98 B7R0.3 CCCOC(C)CN BB55-6921 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.3 CCN(C)CCC#N BB57-3647 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.3 CCN(C)CCCN BB12-1555 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.3 CCN(C)CCCO BB12-3254 [0,2,0,0,0,0|1,1,0]=4 102 B7R0.3 CCNCC(O)CC BB57-7065 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.3 CSCCC(N)CO BB56-2047 [0,2,0,0,0,0|1,1,0]=4 104 B7R0.5 CC(CCN)N(C)C BB12-1370 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,2,0,0,0,0|1,1,0]=4 106 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|0,1,1]=4 107 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|0,1,1]=4 108 B7R0.7 CCCC(N)CCC BB54-4015 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.7 CCNC(C)CCO BB12-1398 [0,2,0,0,0,0|0,1,0]=3 110 B7R0.7 CN(CCN)CCO BB58-1912 [0,2,0,0,0,0|1,1,0]=4 111 B7R0.7 CNCC(O)COC BB17-0811 [0,2,0,0,0,0|1,1,0]=4 112 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,2,0,0,0,0|0,1,1]=4 113 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.11 C#CC(C)(O)CCC BB54-1632 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.11 CCCC(C)(O)C#N BB58-5222 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.11 CCCC(C)(O)CN BB58-5219 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.11 CNCC(C)(C)CO BB57-0988 [0,2,0,0,0,0|0,1,0]=3 118 B7R0.11 COC(C)(C)CCN BB12-2310 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.12 CCOC(CC)CBr BB12-3730 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|0,1,1]=4 121 B7R0.13 CN(C)C(C)(C)CN BB91-0103 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.13 CN(C)C(C)(C)CO BB58-0203 [0,2,0,0,0,0|1,1,0]=4 123 B7R0.14 CC(C)(C)C(O)CN BB58-4055 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.15 CCC(CC)N(C)C BB12-3678 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,2,0,0,0,0|0,1,1]=4 127 B7R0.15 CCC(CN)N(C)C BB12-3590 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.15 CCC(CO)N(C)C BB12-3597 [0,2,0,0,0,0|0,1,0]=3 129 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,2,0,0,0,0|0,1,1]=4 130 B7R0.15 CCC(NC)C(N)=O BB57-1806 [0,2,0,0,0,0|0,1,1]=4 131 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,2,0,0,0,0|0,1,1]=4 132 B7R0.16 CC(C)C(N)C(C)C BB58-0206 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.18 CCC(O)(C#N)CC BB58-5233 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.18 CCC(O)(CC)CN BB58-5231 [0,2,0,0,0,0|1,0,0]=3 135 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,1,0]=4 136 B5R1.5 CC1(N)CC1 BB58-0060 [1,0,0,1,0,0|1,0,0]=3 137 B5R1.1 C1CSCN1 BB57-3983 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.1 CCC1CCCN1 BB55-8085 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.1 ClCC1CCCN1 BB54-3837 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.1 NCC1CCCO1 BB12-1343 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.2 CN1CC[C@@H](N)C1 BB32-2166 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.3 BrC1CCCOC1 BB55-3590 [0,1,0,1,0,0|1,1,0]=4 145 B7R1.3 BrC1CCSCC1 BB57-4184 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.3 CC1=CCNCC1 BB57-2457 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.3 CC1CCOCC1 BB32-2892 [0,1,0,1,0,0|0,1,0]=3 148 B7R1.3 CC1CNCCO1 BB57-2444 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.3 NC1CCCOC1 BB12-2177 [0,1,0,1,0,0|1,1,0]=4 150 B7R1.3 NC1CCNCC1 BB58-0821 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.3 NC1CCOCC1 BB54-3533 [0,1,0,1,0,0|1,1,0]=4 152 B7R1.3 NN1CCSCC1 BB58-0517 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.3 O=C1CSCCN1 BB20-1255 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.3 OC1CCOCC1 BB12-1171 [0,1,0,1,0,0|1,1,0]=4 155 B7R1.3 OC1CCSCC1 BB53-1540 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.6 CNCC1CCC1 BB12-1623 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.6 N#CCC1CCC1 BB57-4846 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.6 NNCC1CCC1 BB58-1933 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.6 OCCC1CCC1 BB31-5201 [0,1,0,1,0,0|0,1,0]=3 161 B7R1.21 COCC1(N)CC1 BB58-3745 [0,1,0,1,0,0|1,1,0]=4 162 B7R1.22 CCC(N)C1CC1 BB57-2148 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [0,1,0,1,0,0|1,1,0]=4 164 B7R1.22 OC(CBr)C1CC1 BB58-0634 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.25 CC1(CO)CSC1 BB57-4080 [0,1,0,1,0,0|0,1,0]=3 166 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|0,1,1]=4 167 B7R1.19 CC(C)C1(N)CC1 BB58-3777 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.23 CC1(C)CC1CO BB31-7326 [0,1,0,1,0,0|0,1,0]=3 169 B7R1.29 N#CC1(CN)CC1 BB58-3802 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.29 N#CC1(CO)CC1 BB57-0986 [0,1,0,1,0,0|0,1,1]=4 171 B7R1.29 NCC1(CO)CC1 BB57-1078 [0,1,0,1,0,0|0,1,0]=3