0 B5R0.2 BrCCCCBr BB_SC-06730 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C=CCN=C=S BB_SC-06433 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 CCCCC=O BB_NC-02285 [0,0,0,0,0,0|0,0,0]=0 3 B5R0.2 CCCCCN BB_SC-06799 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.2 CCNCCO BB_SC-07158 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 CCOCCBr BB_SC-07261 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CNCCC#N BB_SC-07065 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 CNCCCN BB_SC-07066 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 COCCCN BB_SC-06753 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.2 N#CCCC#N BB_SC-05735 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 NCCCCN BB_NC-02221 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.2 O=C=NCCCl BB_SC-04063 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 C=NCC#N BB_SC-06443 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|0,0,3]=4 15 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.2 CCN=C=S BB_SC-06545 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 C\C=C\C=O BB_SC-06898 [1,0,0,0,0,0|0,0,2]=3 24 B4R0.2 N#CCCBr BB_SC-09411 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.1 CNCC(O)CO BB_SC-04061 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,1,0,0,0,0|0,0,2]=3 36 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.4 CC(C)CN=C=S BB_NC-02792 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,1,0,0,0,0|0,0,0]=1 43 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,1,0,0,0,0|0,0,0]=1 44 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.4 CN(C)CCC#N BB_SC-06817 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.4 CN(C)CCCCl BB_SC-05456 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.4 CN(C)CCCN BB_SC-06473 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.4 CN(C)CCCO BB_SC-06804 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.6 BrCCCCCBr BB_SC-06835 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.6 CCCCCCBr BB_SC-06675 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCCCCI BB_SC-07033 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.6 CCCCCCN BB_SC-05552 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.6 CCCCN=C=O BB_SC-06541 [0,1,0,0,0,0|0,0,1]=2 56 B6R0.6 CCCCOC=O BB_SC-07045 [0,1,0,0,0,0|0,0,0]=1 57 B6R0.6 CCCNCCC BB_SC-06961 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.6 CCOCCCN BB_SC-06885 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.6 COCCN=C=S BB_SC-01858 [0,1,0,0,0,0|1,1,1]=4 60 B6R0.6 NCCCCCN BB_NC-02202 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.6 NCCNCCN BB_SC-05557 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.6 NCCNCCO BB_SC-05591 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.6 NCCOCCO BB_SC-07134 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.6 NCCSCCO BB_SC-09747 [0,1,0,0,0,0|1,0,2]=4 65 B6R1.1 C1=COCCC1 BB_SC-07074 [0,0,0,1,0,0|0,0,2]=3 66 B6R1.1 C1CSCCN1 BB_SC-06531 [0,0,0,1,0,0|1,1,1]=4 67 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.2 NC1=NCCS1 BB_SC-06601 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,1,0,0|1,0,1]=3 70 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|0,0,0]=1 71 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|1,0,0]=2 72 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 S=C1NCCN1 BB_SC-06569 [0,0,0,1,0,0|2,1,0]=4 75 B6R1.2 SC1=NCCS1 BB_SC-06486 [0,0,0,1,0,0|2,1,0]=4 76 B6R1.3 COCC1CO1 BB_SC-09489 [0,0,0,1,0,0|1,0,2]=4 77 B6R1.3 S=C=NC1CC1 BB_SC-05675 [0,0,0,1,0,0|1,1,1]=4 78 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.1 CNC=O BB_SC-06939 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|2,0,0]=4 83 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|2,0,0]=4 84 B3R0.1 O=CC=O BB_SC-07204 [2,0,0,0,0,0|1,0,1]=4 85 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,0,1]=4 86 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,0,1]=4 87 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,0,1]=4 88 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,0,1]=4 89 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|1,1,0]=4 90 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|0,0,2]=4 91 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 CC(C)CC=O BB_NC-02289 [1,1,0,0,0,0|0,0,0]=2 93 B5R0.1 CC(C)CCBr BB_SC-07141 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.1 CC(C)CCI BB_SC-06842 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.1 CC(C)CCS BB_SC-06570 [1,1,0,0,0,0|0,1,0]=3 96 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|0,0,1]=3 97 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,1,0,0,0,0|0,0,0]=2 98 B5R0.1 CCCC(C)O BB_SC-07025 [1,1,0,0,0,0|0,0,1]=3 99 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.1 CN(C)CCCl BB_SC-07254 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.1 CN(C)CCN BB_SC-10968 [1,1,0,0,0,0|2,0,0]=4 103 B5R0.1 CNCC(=O)O BB_NC-02298 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.1 CNCC(N)=O BB_NC-02649 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.1 CSCC(C)=O BB_SC-12665 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,1,0,0,0,0|0,0,2]=4 108 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,1,0,0,0,0|0,0,2]=4 109 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.1 N#CCC(N)=O BB_SC-06719 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 NCCC(=O)O BB_SC-12000 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|0,0,2]=4 118 B5R0.3 CCC(N)CO BB_SC-06587 [1,1,0,0,0,0|0,0,1]=3 119 B5R0.3 NCC(O)CN BB_SC-06694 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.3 OCC(O)CCl BB_SC-06682 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,2,0,0,0,0|0,0,0]=2 123 B7R0.3 CCCCC(=O)NN BB_SC-00088 [0,2,0,0,0,0|0,0,0]=2 124 B7R0.3 CNCC\C(N)=N\O BB_SC-11523 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.3 COCC\C(N)=N\O BB_SC-12262 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.3 NNC(=O)CCCO BB_SC-03913 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [0,2,0,0,0,0|1,0,1]=4 129 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.4 CCCCCC(C)=O BB_SC-06722 [0,2,0,0,0,0|0,0,0]=2 133 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [0,2,0,0,0,0|0,0,0]=2 134 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [0,2,0,0,0,0|0,0,1]=3 135 B7R0.4 NCCCCC(=O)O BB_NC-02189 [0,2,0,0,0,0|0,0,0]=2 136 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,2,0,0,0,0|0,0,1]=3 138 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,2,0,0,0,0|0,0,1]=3 139 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.8 O=S(=O)(Cl)CCCCl BB_SC-11226 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.1 C=CCCCCCC BB_SC-07258 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.1 CCCCCCCI BB_SC-09408 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.1 CCCCCN=C=S BB_NC-02794 [0,2,0,0,0,0|0,1,1]=4 145 B7R0.1 COCCCN=C=S BB_SC-01857 [0,2,0,0,0,0|0,1,1]=4 146 B7R0.1 COCCNCC#N BB_SC-05180 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.1 NCCCCCCN BB_NC-02277 [0,2,0,0,0,0|1,0,1]=4 148 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|0,0,2]=4 149 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|1,0,0]=3 150 B5R1.3 C(=O)C1CC1 BB_SC-11514 [1,0,0,1,0,0|0,0,0]=2 151 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|0,0,1]=3 152 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|1,0,1]=4 153 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|1,0,1]=4 154 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|1,0,1]=4 155 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|1,0,0]=3 156 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [0,1,0,1,0,0|0,0,2]=4 158 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,1,0,1,0,0|0,0,0]=2 159 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,1,0,1,0,0|0,0,2]=4 161 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,1,0,1,0,0|0,0,2]=4 162 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,1,0,1,0,0|0,0,1]=3 163 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.3 CN1CCNCC1 BB_SC-06441 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.3 NN1CCCCC1 BB_SC-04637 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.3 NN1CCOCC1 BB_SC-06464 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,1,0,1,0,0|0,0,1]=3 168 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,1,0,1,0,0|0,0,0]=2 169 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,1,0,1,0,0|0,0,0]=2 170 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,1,0,1,0,0|0,0,0]=2 171 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,1,0,1,0,0|0,0,0]=2 172 B7R1.3 O=C1CNCCN1 BB_SC-04934 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,1,0,1,0,0|0,0,2]=4 174 B7R1.3 OC1CCNCC1 BB_SC-02766 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.3 SC1=NCCCN1 BB_SC-05375 [0,1,0,1,0,0|1,1,0]=4 176 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,1,0,1,0,0|1,0,0]=3 180 B7R1.7 CCCCC1CO1 BB_SC-05509 [0,1,0,1,0,0|0,0,2]=4 181 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [0,1,0,1,0,0|1,0,0]=3 183 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,1,0,1,0,0|0,0,0]=2 184 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.24 C1=CCOCOC1 BB_SC-05392 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.24 C1CCCNCC1 BB_SC-12394 [0,1,0,1,0,0|1,0,1]=4 187 B7R1.24 C1CNCCNC1 BB_SC-11240 [0,1,0,1,0,0|1,0,1]=4