0 B4R0.1 C#CC(=O)O BB_SC-06516 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C#CC(C)O BB_SC-06602 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(C)C#N BB_SC-06810 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)CCl BB_SC-12393 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)CO BB_SC-06929 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(C)CBr BB_SC-12386 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 CC(C)CI BB_SC-06912 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(N)CN BB_SC-06623 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(O)CCl BB_SC-06971 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(O)CO BB_SC-07047 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CCC(=O)Cl BB_SC-06942 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CCC(C)=O BB_SC-06989 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CCC(C)N BB_SC-06740 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CCC(C)O BB_SC-07031 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 CNC(=N)N BB_SC-06585 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 CNC(N)=O BB_SC-07198 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 COC(=N)N BB_SC-07172 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 COC(=O)Cl BB_SC-07075 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 COC(N)=O BB_SC-06903 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CSC(=N)N BB_SC-07197 [0,0,0,0,0,0|4,0,0]=4 20 B4R0.1 C\C(N)=N\O BB_SC-09052 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 NC(=O)CCl BB_SC-06849 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 NC(=O)NO BB_SC-07256 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 NNC(N)=O BB_SC-07175 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 O=C(Br)CBr BB_SC-06823 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 O=C(Cl)CCl BB_SC-06733 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 O=C(O)CCl BB_SC-12338 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.1 O=C(O)CI BB_SC-06475 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [0,0,0,0,0,0|1,0,1]=2 29 B3R0.1 BrCCBr BB_SC-07189 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.1 C#CCN BB_SC-08803 [1,0,0,0,0,0|1,0,1]=3 31 B3R0.1 C#CCO BB_SC-06540 [1,0,0,0,0,0|1,0,2]=4 32 B3R0.1 C=CC#N BB_SC-05732 [1,0,0,0,0,0|1,0,2]=4 33 B3R0.1 CCCI BB_SC-06937 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 CNC=O BB_SC-06939 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 ClCCBr BB_SC-06512 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.1 N#CCCl BB_SC-10991 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 N#CCN BB_SC-06479 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.1 NCCBr BB_SC-12695 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.1 NCCCl BB_SC-07224 [1,0,0,0,0,0|1,0,1]=3 40 B3R0.1 O=CC=O BB_SC-07204 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.1 OCCBr BB_SC-07017 [1,0,0,0,0,0|1,0,1]=3 42 B3R0.1 OCCCl BB_SC-07062 [1,0,0,0,0,0|1,0,1]=3 43 B3R0.1 OCCF BB_SC-00430 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.1 OCCI BB_SC-04664 [1,0,0,0,0,0|1,0,1]=3 45 B3R0.1 SCCS BB_SC-06621 [1,0,0,0,0,0|1,1,1]=4 46 B3R0.2 CC(=N)N BB_SC-06819 [1,0,0,0,0,0|2,0,0]=3 47 B3R0.2 CC(C)Br BB_SC-06848 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.2 CC(C)I BB_SC-06934 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.2 NC(=S)[S-] BB_SC-11380 [1,0,0,0,0,0|0,2,0]=3 50 B5R0.1 C=C(C)CCO BB_NC-02269 [0,1,0,0,0,0|3,0,0]=4 51 B5R0.1 C=COC(C)=O BB_SC-12396 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(=O)CCO BB_SC-06926 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.1 CC(C)=CCO BB_NC-02261 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.1 CC(O)CCO BB_SC-11995 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.1 CCCC(C)O BB_SC-07025 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.1 CN(C)CCN BB_SC-10968 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.1 CNCC(=O)O BB_NC-02298 [0,1,0,0,0,0|0,0,0]=1 61 B5R0.1 CNCC(N)=O BB_NC-02649 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.1 CSCC(C)=O BB_SC-12665 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,1,0,0,0,0|0,0,1]=2 67 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.1 N#CCC(N)=S BB_SC-11379 [0,1,0,0,0,0|1,1,1]=4 69 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.1 NCCC(=O)O BB_SC-12000 [0,1,0,0,0,0|0,0,0]=1 71 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,1,0,0,0,0|1,0,0]=2 74 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,1,0,0,0,0|1,0,1]=3 76 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.3 CCC(N)CO BB_SC-06587 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.3 CNC(=O)NC BB_SC-07191 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.3 COC(=O)CN BB_NC-03070 [0,1,0,0,0,0|0,0,0]=1 81 B5R0.3 COC(=O)CO BB_SC-06427 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.3 COC(=O)CS BB_SC-06606 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.3 COC(=O)NN BB_SC-07168 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.3 N=C(NN)NN BB_SC-08192 [0,1,0,0,0,0|3,0,0]=4 85 B5R0.3 NCC(O)CN BB_SC-06694 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,1,0,0,0,0|2,0,0]=3 87 B5R0.3 OCC(O)CCl BB_SC-06682 [0,1,0,0,0,0|1,0,2]=4 88 B5R0.4 C[Si](C)(C)CN BB_SC-09439 [0,1,0,0,0,0|2,1,0]=4 89 B5R0.4 NCS(=O)(=O)O BB_SC-09402 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.4 NOS(=O)(=O)O BB_SC-04662 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,1,0,0,0,0|3,0,0]=4 97 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,1,0,0,0,0|2,0,0]=3 98 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,1,0,0,0,0|1,0,0]=2 105 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,1,0,0,0,0|1,0,0]=2 109 B5R1.3 CCC1CO1 BB_SC-07230 [0,0,0,1,0,0|2,0,1]=4 110 B5R1.3 ClCC1CO1 BB_SC-06806 [0,0,0,1,0,0|2,0,1]=4 111 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [0,0,0,1,0,0|2,0,1]=4 112 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [0,0,0,1,0,0|2,0,1]=4 113 B5R1.3 NCC1CC1 BB_SC-04639 [0,0,0,1,0,0|2,0,1]=4 114 B2R0.1 CCI BB_SC-11853 [2,0,0,0,0,0|1,0,1]=4 115 B2R0.1 CNN BB_SC-12360 [2,0,0,0,0,0|1,0,1]=4 116 B2R0.1 CON BB_SC-06505 [2,0,0,0,0,0|1,0,1]=4 117 B2R0.1 ICI BB_SC-06852 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.2 CC=CCO BB_NC-02275 [1,1,0,0,0,0|1,0,1]=4 119 B4R0.2 CCCCN BB_SC-06761 [1,1,0,0,0,0|1,0,1]=4 120 B4R0.2 CNCCN BB_NC-02991 [1,1,0,0,0,0|1,0,1]=4 121 B4R0.2 CNCCO BB_SC-06928 [1,1,0,0,0,0|0,0,1]=3 122 B4R0.2 COCCBr BB_SC-07068 [1,1,0,0,0,0|1,0,1]=4 123 B4R0.2 COCCCl BB_SC-07014 [1,1,0,0,0,0|1,0,1]=4 124 B4R0.2 C\C=C\C=O BB_SC-06898 [1,1,0,0,0,0|1,0,1]=4 125 B4R0.2 N#CCCO BB_SC-02742 [1,1,0,0,0,0|0,0,2]=4 126 B4R0.2 NCCCBr BB_SC-06502 [1,1,0,0,0,0|1,0,1]=4 127 B4R0.2 NCCCCl BB_SC-07208 [1,1,0,0,0,0|1,0,1]=4 128 B4R0.2 NCCCN BB_NC-02306 [1,1,0,0,0,0|1,0,1]=4 129 B4R0.2 NNCCO BB_SC-09930 [1,1,0,0,0,0|0,0,1]=3 130 B4R0.2 OCCCBr BB_SC-07264 [1,1,0,0,0,0|1,0,1]=4 131 B4R0.3 NS(N)(=O)=O BB_SC-11516 [1,1,0,0,0,0|1,0,1]=4 132 B4R0.3 O=S(=O)(O)O BB_SC-06493 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,2,0,0,0,0|1,0,0]=3 137 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.1 CNCC(O)CO BB_SC-04061 [0,2,0,0,0,0|0,0,2]=4 140 B6R0.1 COC(=O)CC#N BB_SC-06876 [0,2,0,0,0,0|0,0,1]=3 141 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,2,0,0,0,0|1,0,0]=3 142 B6R0.1 COC(=O)CCN BB_NC-01738 [0,2,0,0,0,0|0,0,0]=2 143 B6R0.1 N#CCC(=O)NN BB_SC-07187 [0,2,0,0,0,0|1,0,1]=4 144 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,2,0,0,0,0|2,0,0]=4 145 B6R0.2 CC(=O)NC(N)=S BB_SC-06851 [0,2,0,0,0,0|1,0,1]=4 146 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,2,0,0,0,0|2,0,0]=4 147 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,2,0,0,0,0|1,0,0]=3 148 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,2,0,0,0,0|0,0,0]=2 150 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [0,2,0,0,0,0|1,1,0]=4 151 B6R0.2 NC(=O)NC(N)=O BB_SC-00442 [0,2,0,0,0,0|1,0,1]=4 152 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,2,0,0,0,0|2,0,0]=4 153 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,2,0,0,0,0|0,0,0]=2 157 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,2,0,0,0,0|1,0,1]=4 158 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,2,0,0,0,0|0,0,0]=2 159 B6R0.3 NNC(=O)C(N)=O BB_SC-06266 [0,2,0,0,0,0|1,0,1]=4 160 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,2,0,0,0,0|0,0,0]=2 161 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,2,0,0,0,0|1,0,0]=3 163 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,2,0,0,0,0|2,0,0]=4 164 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,2,0,0,0,0|2,0,0]=4 165 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,2,0,0,0,0|2,0,0]=4 166 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,2,0,0,0,0|2,0,0]=4 168 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,2,0,0,0,0|2,0,0]=4 169 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,2,0,0,0,0|1,0,0]=3 170 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,2,0,0,0,0|0,0,0]=2 171 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,2,0,0,0,0|2,0,0]=4 172 B6R0.5 NCCS(N)(=O)=O BB_SC-11192 [0,2,0,0,0,0|1,0,1]=4 173 B6R0.8 O=P(O)(CCl)CCl BB_SC-01543 [0,2,0,0,0,0|2,0,0]=4 174 B6R0.9 COC(CN)OC BB_SC-06731 [0,2,0,0,0,0|0,0,2]=4 175 B6R0.7 CC(=O)C(F)(F)F BB_SC-06519 [0,2,0,0,0,0|2,0,0]=4 176 B6R0.7 CC(C)(C)C(=O)Cl BB_SC-06723 [0,2,0,0,0,0|2,0,0]=4 177 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [0,2,0,0,0,0|0,0,0]=2 178 B6R0.7 NC(=O)C(F)(F)F BB_SC-06624 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.7 O=C(O)C(Cl)(Cl)Cl BB_SC-06768 [0,2,0,0,0,0|1,0,0]=3 180 B4R1.2 NC1CC1 BB_SC-07203 [1,0,0,1,0,0|1,0,1]=4 181 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,1,0,1,0,0|2,0,0]=4 182 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,1,0,1,0,0|1,1,0]=4 183 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,1,0,1,0,0|1,0,0]=3 184 B6R1.2 O=C1OC=CO1 BB_SC-06550 [0,1,0,1,0,0|1,0,1]=4 185 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,1,0,1,0,0|1,0,0]=3 186 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,1,0,1,0,0|2,0,0]=4 187 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [0,1,0,1,0,0|2,0,0]=4 188 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [0,1,0,1,0,0|1,0,0]=3