0 B4R0.2 BrCCCBr BB_SC-06684 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C=NCC#N BB_SC-06443 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 CC=CCO BB_NC-02275 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CCCCCl BB_SC-07054 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.2 CCCCI BB_SC-06943 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.2 CCCCN BB_SC-06761 [0,0,0,0,0,0|1,0,1]=2 6 B4R0.2 CCN=C=S BB_SC-06545 [0,0,0,0,0,0|1,1,1]=3 7 B4R0.2 CNCCN BB_NC-02991 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 CNCCO BB_SC-06928 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.2 COCCBr BB_SC-07068 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 COCCCl BB_SC-07014 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 C\C=C\C#N BB_SC-12445 [0,0,0,0,0,0|1,0,3]=4 12 B4R0.2 C\C=C\C=O BB_SC-06898 [0,0,0,0,0,0|0,0,2]=2 13 B4R0.2 N#CCC#N BB_SC-12704 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.2 N#CCCBr BB_SC-09411 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 N#CCCO BB_SC-02742 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.2 N#CSCCl BB_SC-05540 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 NCCCBr BB_SC-06502 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 NCCCCl BB_SC-07208 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 NCCCN BB_NC-02306 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 NNCCO BB_SC-09930 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.2 OCCCBr BB_SC-07264 [0,0,0,0,0,0|1,0,2]=3 22 B3R0.1 BrCCBr BB_SC-07189 [1,0,0,0,0,0|2,0,0]=3 23 B3R0.1 C#CCN BB_SC-08803 [1,0,0,0,0,0|1,0,2]=4 24 B3R0.1 C#CCO BB_SC-06540 [1,0,0,0,0,0|0,0,3]=4 25 B3R0.1 C=CC#N BB_SC-05732 [1,0,0,0,0,0|1,0,2]=4 26 B3R0.1 CCCI BB_SC-06937 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 CN=C=S BB_SC-05863 [1,0,0,0,0,0|1,1,1]=4 28 B3R0.1 CNC=O BB_SC-06939 [1,0,0,0,0,0|1,0,0]=2 29 B3R0.1 ClCCBr BB_SC-06512 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 N#CCCl BB_SC-10991 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 N#CCN BB_SC-06479 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 NCCBr BB_SC-12695 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 NCCCl BB_SC-07224 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 O=CC=O BB_SC-07204 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.1 OCCBr BB_SC-07017 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 OCCCl BB_SC-07062 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 OCCF BB_SC-00430 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.1 OCCI BB_SC-04664 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.1 SCCS BB_SC-06621 [1,0,0,0,0,0|1,1,0]=3 40 B5R0.1 C#CCN(C)C BB_SC-06626 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 C=C(C)CCO BB_NC-02269 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.1 C=COC(C)=O BB_SC-12396 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.1 CC(=O)CCO BB_SC-06926 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.1 CC(C)=CCO BB_NC-02261 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CC(C)CC=O BB_NC-02289 [0,1,0,0,0,0|0,0,0]=1 46 B5R0.1 CC(C)CCBr BB_SC-07141 [0,1,0,0,0,0|1,0,1]=3 47 B5R0.1 CC(C)CCI BB_SC-06842 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.1 CC(C)CCS BB_SC-06570 [0,1,0,0,0,0|0,1,1]=3 49 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,1,0,0,0,0|1,1,1]=4 50 B5R0.1 CC(O)CCO BB_SC-11995 [0,1,0,0,0,0|0,0,2]=3 51 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,1,0,0,0,0|0,0,0]=1 52 B5R0.1 CCCC(C)O BB_SC-07025 [0,1,0,0,0,0|0,0,2]=3 53 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.1 CN(C)CCCl BB_SC-07254 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 CN(C)CCN BB_SC-10968 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 CNCC(=O)O BB_NC-02298 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.1 CNCC(N)=O BB_NC-02649 [0,1,0,0,0,0|1,0,0]=2 59 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.1 CSCC(C)=O BB_SC-12665 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,1,0,0,0,0|0,0,2]=3 62 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,1,0,0,0,0|0,0,2]=3 63 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.1 N#CCC(N)=S BB_SC-11379 [0,1,0,0,0,0|1,1,1]=4 66 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,1,0,0,0,0|1,0,0]=2 67 B5R0.1 NCCC(=O)O BB_SC-12000 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.2 BrCCCCBr BB_SC-06730 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.2 C=CCN=C=S BB_SC-06433 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.2 CCCCC=O BB_NC-02285 [0,1,0,0,0,0|0,0,0]=1 75 B5R0.2 CCCCCN BB_SC-06799 [0,1,0,0,0,0|1,0,1]=3 76 B5R0.2 CCNCCO BB_SC-07158 [0,1,0,0,0,0|0,0,2]=3 77 B5R0.2 CCOCCBr BB_SC-07261 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.2 CNCCC#N BB_SC-07065 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.2 CNCCCN BB_SC-07066 [0,1,0,0,0,0|1,0,1]=3 80 B5R0.2 COCCCN BB_SC-06753 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.2 N#CCCC#N BB_SC-05735 [0,1,0,0,0,0|1,0,2]=4 82 B5R0.2 NCCCCN BB_NC-02221 [0,1,0,0,0,0|1,0,1]=3 83 B5R0.2 O=C=NCCCl BB_SC-04063 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,0,0,0,0|1,0,2]=4 87 B5R0.3 CCC(N)CO BB_SC-06587 [0,1,0,0,0,0|0,0,2]=3 88 B5R0.3 NCC(O)CN BB_SC-06694 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.3 OCC(O)CCl BB_SC-06682 [0,1,0,0,0,0|1,0,2]=4 90 B5R1.1 C1=COCC1 BB_SC-06597 [0,0,0,1,0,0|0,0,2]=3 91 B5R1.3 BrCC1CC1 BB_SC-04711 [0,0,0,1,0,0|1,0,1]=3 92 B5R1.3 C(=O)C1CC1 BB_SC-11514 [0,0,0,1,0,0|0,0,0]=1 93 B5R1.3 CCC1CO1 BB_SC-07230 [0,0,0,1,0,0|0,0,2]=3 94 B5R1.3 ClCC1CO1 BB_SC-06806 [0,0,0,1,0,0|1,0,2]=4 95 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [0,0,0,1,0,0|1,0,2]=4 96 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [0,0,0,1,0,0|1,0,2]=4 97 B5R1.3 NCC1CC1 BB_SC-04639 [0,0,0,1,0,0|1,0,1]=3 98 B2R0.1 CCI BB_SC-11853 [2,0,0,0,0,0|1,0,0]=3 99 B2R0.1 CNN BB_SC-12360 [2,0,0,0,0,0|2,0,0]=4 100 B2R0.1 CON BB_SC-06505 [2,0,0,0,0,0|2,0,0]=4 101 B2R0.1 ICI BB_SC-06852 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 C#CC(=O)O BB_SC-06516 [1,1,0,0,0,0|0,0,2]=4 103 B4R0.1 C#CC(C)O BB_SC-06602 [1,1,0,0,0,0|0,0,2]=4 104 B4R0.1 CC(=O)CCl BB_SC-12393 [1,1,0,0,0,0|1,0,0]=3 105 B4R0.1 CC(=O)CO BB_SC-06929 [1,1,0,0,0,0|1,0,0]=3 106 B4R0.1 CC(C)C=O BB_SC-11515 [1,1,0,0,0,0|0,0,0]=2 107 B4R0.1 CC(C)CBr BB_SC-12386 [1,1,0,0,0,0|1,0,0]=3 108 B4R0.1 CC(C)CI BB_SC-06912 [1,1,0,0,0,0|1,0,0]=3 109 B4R0.1 CC(N)CN BB_SC-06623 [1,1,0,0,0,0|1,0,0]=3 110 B4R0.1 CC(O)CCl BB_SC-06971 [1,1,0,0,0,0|1,0,0]=3 111 B4R0.1 CC(O)CO BB_SC-07047 [1,1,0,0,0,0|0,0,1]=3 112 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,1,0,0,0,0|0,0,0]=2 113 B4R0.1 CCC(C)=O BB_SC-06989 [1,1,0,0,0,0|0,0,0]=2 114 B4R0.1 CCC(C)N BB_SC-06740 [1,1,0,0,0,0|0,0,1]=3 115 B4R0.1 CCC(C)O BB_SC-07031 [1,1,0,0,0,0|0,0,1]=3 116 B4R0.1 CNC(=N)N BB_SC-06585 [1,1,0,0,0,0|2,0,0]=4 117 B4R0.1 CNC(N)=O BB_SC-07198 [1,1,0,0,0,0|1,0,0]=3 118 B4R0.1 COC(=N)N BB_SC-07172 [1,1,0,0,0,0|2,0,0]=4 119 B4R0.1 COC(=O)Cl BB_SC-07075 [1,1,0,0,0,0|1,0,0]=3 120 B4R0.1 COC(N)=O BB_SC-06903 [1,1,0,0,0,0|1,0,0]=3 121 B4R0.1 CSC(=N)N BB_SC-07197 [1,1,0,0,0,0|2,0,0]=4 122 B4R0.1 NC(=O)CCl BB_SC-06849 [1,1,0,0,0,0|1,0,0]=3 123 B4R0.1 NC(=O)NO BB_SC-07256 [1,1,0,0,0,0|2,0,0]=4 124 B4R0.1 NNC(N)=O BB_SC-07175 [1,1,0,0,0,0|2,0,0]=4 125 B4R0.1 O=C(Br)CBr BB_SC-06823 [1,1,0,0,0,0|1,0,0]=3 126 B4R0.1 O=C(Cl)CCl BB_SC-06733 [1,1,0,0,0,0|1,0,0]=3 127 B4R0.1 O=C(O)CCl BB_SC-12338 [1,1,0,0,0,0|1,0,0]=3 128 B4R0.1 O=C(O)CI BB_SC-06475 [1,1,0,0,0,0|1,0,0]=3 129 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,2,0,0,0,0|0,1,1]=4 132 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,2,0,0,0,0|1,0,0]=3 133 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,2,0,0,0,0|1,0,0]=3 137 B6R0.1 CNCC(O)CO BB_SC-04061 [0,2,0,0,0,0|0,0,2]=4 138 B6R0.1 COC(=O)CC#N BB_SC-06876 [0,2,0,0,0,0|1,0,1]=4 139 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.1 COC(=O)CCN BB_NC-01738 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.1 N#CCC(=O)NN BB_SC-07187 [0,2,0,0,0,0|1,0,1]=4 142 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,2,0,0,0,0|0,0,2]=4 143 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,2,0,0,0,0|0,0,0]=2 144 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,2,0,0,0,0|0,0,2]=4 145 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,2,0,0,0,0|0,0,0]=2 146 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,2,0,0,0,0|0,0,0]=2 147 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,2,0,0,0,0|1,1,0]=4 148 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,2,0,0,0,0|0,0,0]=2 149 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,2,0,0,0,0|1,0,0]=3 150 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [0,2,0,0,0,0|1,1,0]=4 151 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,2,0,0,0,0|0,0,0]=2 152 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,2,0,0,0,0|1,0,1]=4 153 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,2,0,0,0,0|0,0,2]=4 154 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,2,0,0,0,0|1,0,0]=3 156 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [0,2,0,0,0,0|0,0,2]=4 157 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,2,0,0,0,0|0,0,1]=3 158 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,2,0,0,0,0|0,0,2]=4 159 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,2,0,0,0,0|0,0,2]=4 160 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,2,0,0,0,0|0,0,0]=2 161 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,2,0,0,0,0|1,0,0]=3 162 B6R0.4 CC(C)CN=C=S BB_NC-02792 [0,2,0,0,0,0|0,1,1]=4 163 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,2,0,0,0,0|1,0,1]=4 164 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,2,0,0,0,0|0,0,0]=2 165 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,2,0,0,0,0|0,0,0]=2 166 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,2,0,0,0,0|0,0,1]=3 167 B6R0.4 CN(C)CCC#N BB_SC-06817 [0,2,0,0,0,0|1,0,1]=4 168 B6R0.4 CN(C)CCCCl BB_SC-05456 [0,2,0,0,0,0|1,0,1]=4 169 B6R0.4 CN(C)CCCN BB_SC-06473 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.4 CN(C)CCCO BB_SC-06804 [0,2,0,0,0,0|0,0,2]=4 171 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,2,0,0,0,0|0,0,0]=2 172 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,2,0,0,0,0|0,0,0]=2 173 B6R0.5 CCCS(=O)(=O)Cl BB_SC-09421 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.5 NCCS(N)(=O)=O BB_SC-11192 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.5 O=S(=O)([O-])CCS BB_SC-05473 [0,2,0,0,0,0|2,0,0]=4 176 B6R0.6 BrCCCCCBr BB_SC-06835 [0,2,0,0,0,0|1,0,1]=4 177 B6R0.6 CCCCCCBr BB_SC-06675 [0,2,0,0,0,0|1,0,1]=4 178 B6R0.6 CCCCCCI BB_SC-07033 [0,2,0,0,0,0|1,0,1]=4 179 B6R0.6 CCCCCCN BB_SC-05552 [0,2,0,0,0,0|1,0,1]=4 180 B6R0.6 CCCCN=C=O BB_SC-06541 [0,2,0,0,0,0|0,0,1]=3 181 B6R0.6 CCCCOC=O BB_SC-07045 [0,2,0,0,0,0|0,0,0]=2 182 B6R0.6 CCCNCCC BB_SC-06961 [0,2,0,0,0,0|1,0,1]=4 183 B6R0.6 CCOCCCN BB_SC-06885 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.6 COCCN=C=S BB_SC-01858 [0,2,0,0,0,0|0,1,1]=4 185 B6R0.6 NCCCCCN BB_NC-02202 [0,2,0,0,0,0|1,0,1]=4 186 B6R0.6 NCCNCCN BB_SC-05557 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.6 NCCNCCO BB_SC-05591 [0,2,0,0,0,0|0,0,2]=4 188 B6R0.6 NCCOCCO BB_SC-07134 [0,2,0,0,0,0|0,0,2]=4 189 B6R0.6 NCCSCCO BB_SC-09747 [0,2,0,0,0,0|0,0,2]=4 190 B4R1.2 NC1CC1 BB_SC-07203 [1,0,0,1,0,0|1,0,0]=3 191 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,1,0,1,0,0|1,0,0]=3 192 B6R1.2 NC1=NCCS1 BB_SC-06601 [0,1,0,1,0,0|1,1,0]=4 193 B6R1.2 NC1CCCC1 BB_SC-12557 [0,1,0,1,0,0|1,0,1]=4 194 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,1,0,1,0,0|0,0,0]=2 195 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,1,0,1,0,0|0,0,0]=2 196 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,1,0,1,0,0|1,0,0]=3 197 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,1,0,1,0,0|1,0,0]=3 198 B6R1.2 S=C1NCCN1 BB_SC-06569 [0,1,0,1,0,0|1,1,0]=4 199 B6R1.2 SC1=NCCS1 BB_SC-06486 [0,1,0,1,0,0|1,1,0]=4 200 B6R1.3 COCC1CO1 BB_SC-09489 [0,1,0,1,0,0|0,0,2]=4 201 B6R1.3 S=C=NC1CC1 BB_SC-05675 [0,1,0,1,0,0|0,1,1]=4 202 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,1,0,1,0,0|0,0,0]=2 203 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [0,1,0,1,0,0|0,0,0]=2 204 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [0,1,0,1,0,0|0,0,0]=2 205 B6R1.1 C1=COCCC1 BB_SC-07074 [0,1,0,1,0,0|0,0,1]=3 206 B6R1.1 C1CSCCN1 BB_SC-06531 [0,1,0,1,0,0|0,1,1]=4