0 B5R0.2 C=COCCN BB57-6790 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.2 CCC#CCO BB58-4730 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.2 CCSCCN BB53-1545 [0,0,0,0,0,0|1,1,0]=2 3 B5R0.2 CCSCCO BB54-1799 [0,0,0,0,0,0|0,1,0]=1 4 B5R0.2 CNCCSC BB57-4145 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.2 COCCNN BB58-0266 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 CSCCC#N BB12-3714 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 N#CCCCN BB58-1324 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 N#CCCCO BB58-5314 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.2 NNCCCO BB58-0747 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 OCCCCCl BB54-0721 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.2 C#CCON BB31-7679 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.2 CNCCCl BB57-4776 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 CNCCI BB57-4692 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|1,1,0]=3 19 B6R0.1 C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.1 CC(CN)CCN BB12-1906 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CCCC(O)CN BB58-4054 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CCNC(C)CO BB12-1659 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.1 CCOC(=N)CC BB57-3767 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.1 CCOC(=N)CCl BB57-3987 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.1 CCOC(C)CN BB57-2923 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.1 CNC(C)CCO BB05-4613 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.1 COC(=O)CCN BB12-2761 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 COC(=O)CCO BB12-1300 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.1 COC(C)CCN BB57-3649 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 COCC(O)CN BB55-6376 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.4 C=CCNC(C)C BB12-1319 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.4 CC(C)SCCCl BB53-1373 [0,1,0,0,0,0|1,1,0]=3 41 B6R0.4 CC(C)SCCN BB53-1544 [0,1,0,0,0,0|1,1,0]=3 42 B6R0.4 CC(C)SCCO BB53-1392 [0,1,0,0,0,0|0,1,0]=2 43 B6R0.4 CCCCC(N)=S BB31-3291 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.4 CCNCC(C)O BB12-1676 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|0,1,1]=3 47 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.6 CCCCCNC BB57-3734 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.6 CCCCCNN BB12-2485 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.6 CCCSCCN BB53-1582 [0,1,0,0,0,0|1,1,0]=3 51 B6R0.6 CCOCCNC BB57-2926 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.6 CCO\C=N/C#N BB58-1102 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.6 CCSCCNC BB12-0971 [0,1,0,0,0,0|1,1,0]=3 54 B6R0.6 COCCN=C=S BB53-1315 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.6 FCCCCCBr BB57-3968 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,1,0,0,0,0|2,0,1]=4 57 B6R1.1 C1=CCONC1 BB12-1719 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.1 C1CCONC1 BB57-1044 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.2 CC1=NCCN1 BB01-8036 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.2 NC1CCOC1 BB55-5168 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|1,0,0]=2 62 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|1,0,0]=2 63 B6R1.3 CC#CC1CC1 BB12-2979 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.3 CCNC1CC1 BB57-0155 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.3 CNCC1CC1 BB55-8900 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.3 NNCC1CC1 BB58-1934 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.6 CNC1CCC1 BB58-0080 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.6 NCC1CCC1 BB12-1679 [0,0,0,1,0,0|2,0,0]=3 69 B3R0.1 CNOC BB01-7679 [2,0,0,0,0,0|1,0,0]=3 70 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|0,0,0]=2 72 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|0,0,1]=3 74 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|1,0,0]=3 75 B5R0.1 COCC(N)=S BB58-4256 [1,1,0,0,0,0|0,1,1]=4 76 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|1,1,0]=4 77 B5R0.1 NC(=O)CCO BB58-1090 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.3 CC(CN)CO BB57-2245 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.3 CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.3 CNC(=O)CO BB58-0349 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.3 CNC(C)CO BB12-1570 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.3 COC(C)C#N BB57-3722 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.3 COC(C)CN BB55-4647 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.2 CC(C)CC(O)CN BB58-4053 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.3 CCC(=O)NCCN BB12-2323 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.3 CCCCC(N)CO BB56-2048 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.3 CCCOC(C)CN BB55-6921 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.3 CCN(C)CCC#N BB57-3647 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.3 CCN(C)CCCN BB12-1555 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.3 CCN(C)CCCO BB12-3254 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.3 CCNCC(O)CC BB57-7065 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.3 CSCCC(N)CO BB56-2047 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.5 CCOC(=N)C(C)C BB57-3768 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.5 CCOC(=N)C(C)O BB58-1354 [0,2,0,0,0,0|0,0,1]=3 101 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|0,1,1]=4 102 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.7 CCCC(N)CCC BB54-4015 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.7 CCNC(C)CCO BB12-1398 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.7 CCOC(=N)CCCl BB12-2325 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.7 CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|0,0,0]=2 107 B7R0.7 CCOC(=O)CNN BB05-1938 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.7 CN(CCN)CCO BB58-1912 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.7 CNCC(O)COC BB17-0811 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.7 O=S(CCO)CCO BB54-0247 [0,2,0,0,0,0|0,1,0]=3 111 B7R0.7 [C-]#[N+]CC(=O)OCC BB56-1762 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.11 CCCC(C)(O)CN BB58-5219 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.11 CCS(=O)(=O)CCCl BB53-1535 [0,2,0,0,0,0|1,1,0]=4 114 B7R0.11 CCS(=O)(=O)CCN BB53-1627 [0,2,0,0,0,0|1,1,0]=4 115 B7R0.11 CCS(=O)(=O)CCO BB53-1534 [0,2,0,0,0,0|0,1,0]=3 116 B7R0.11 CNCC(C)(C)CO BB57-0988 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.12 CCOC(CC)CBr BB12-3730 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.4 C=CCCNC(C)C BB58-4949 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.4 CC(=O)NCCCO BB12-3384 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.4 CC(C)CCCCO BB12-2305 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.4 CC(C)NCCCO BB55-6367 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.4 CC(O)CNCCO BB57-2443 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.4 CCCCNC(C)C BB55-6366 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.4 CCCNCC(=O)O BB20-0186 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.4 CCCNCC(C)O BB58-2124 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.4 CCCOCC(=O)O BB55-7872 [0,2,0,0,0,0|0,0,1]=3 127 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|0,1,1]=4 128 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,2,0,0,0,0|0,0,1]=3 129 B7R0.4 CCO\C=C\C(C)C BB57-4132 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|0,1,0]=3 131 B7R0.4 NC(=O)CSCCO BB53-1357 [0,2,0,0,0,0|0,1,1]=4 132 B7R0.4 O=C(O)CNCCO BB58-1263 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,2,0,0,0,0|0,1,1]=4 135 B7R0.6 CC(O)CNC(C)C BB58-2123 [0,2,0,0,0,0|1,0,0]=3 136 B7R0.8 CC(C)(C)SCCN BB58-0595 [0,2,0,0,0,0|1,1,0]=4 137 B7R0.8 CC(C)(N)CCCO BB57-3651 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.8 CCNCC(C)(C)O BB58-2126 [0,2,0,0,0,0|1,0,0]=3 139 B7R0.8 CS(=O)(=O)CCCO BB57-2922 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.1 CCCCOCCN BB53-1642 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.1 CCCCSCCN BB57-6671 [0,2,0,0,0,0|1,1,0]=4 142 B7R0.1 CCCCSCCO BB54-1800 [0,2,0,0,0,0|0,1,0]=3 143 B7R0.1 CCNCCNCC BB57-6994 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,2,0,0,0,0|2,0,0]=4 145 B5R1.1 C1CSCN1 BB57-3983 [1,0,0,1,0,0|1,1,0]=4 146 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.1 CCC1CCCN1 BB55-8085 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.1 ClCC1CCCN1 BB54-3837 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.1 NCC1CCCO1 BB12-1343 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.2 CN1CC[C@@H](N)C1 BB32-2166 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.3 BrC1CCCOC1 BB55-3590 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.3 BrC1CCSCC1 BB57-4184 [0,1,0,1,0,0|1,1,0]=4 154 B7R1.3 CC1CCOCC1 BB32-2892 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.3 CC1CNCCO1 BB57-2444 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.3 NC1CCCOC1 BB12-2177 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.3 NC1CCNCC1 BB58-0821 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.3 NC1CCOCC1 BB54-3533 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.3 NN1CCSCC1 BB58-0517 [0,1,0,1,0,0|1,1,0]=4 160 B7R1.3 OC1CCOCC1 BB12-1171 [0,1,0,1,0,0|0,0,0]=2 161 B7R1.3 OC1CCSCC1 BB53-1540 [0,1,0,1,0,0|0,1,0]=3 162 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,1,0,1,0,0|0,1,0]=3 163 B7R1.6 CNCC1CCC1 BB12-1623 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.6 N#CCC1CCC1 BB57-4846 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.6 NNCC1CCC1 BB58-1933 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.6 OCCC1CCC1 BB31-5201 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.22 CCC(N)C1CC1 BB57-2148 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.22 OC(CBr)C1CC1 BB58-0634 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.25 CC1(CO)CSC1 BB57-4080 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.7 CCCNC1CC1 BB55-3599 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.7 CCNCC1CC1 BB57-1086 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|0,0,1]=3 175 B7R1.23 CC1(C)CC1CO BB31-7326 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.24 C1CNCCNC1 BB12-2760 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.24 C1CNCCOC1 BB57-0752 [0,1,0,1,0,0|1,0,0]=3