0 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.4 CN(C)CCCCl BB_SC-05456 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 CN(C)CCCN BB_SC-06473 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 CN(C)CCCO BB_SC-06804 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 C=C(C)CCO BB_NC-02269 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(=O)CCO BB_SC-06926 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(O)CCO BB_SC-11995 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 CCCC(C)O BB_SC-07025 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CN(C)CCN BB_SC-10968 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CNCC(=O)O BB_NC-02298 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CNCC(N)=O BB_NC-02649 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,0,0,0,0|0,0,2]=3 28 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.1 N#CCC(N)=O BB_SC-06719 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 NCCC(=O)O BB_SC-12000 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.2 BrCCCCBr BB_SC-06730 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CCCCC=O BB_NC-02285 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.2 CCCCCN BB_SC-06799 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.2 CCNCCO BB_SC-07158 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 CNCCCN BB_SC-07066 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 COCCCN BB_SC-06753 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 NCCCCN BB_NC-02221 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.2 O=C=NCCCl BB_SC-04063 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.3 CCCCC(=O)NN BB_SC-00088 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 CNCC\C(N)=N\O BB_SC-11523 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.3 COCC\C(N)=N\O BB_SC-12262 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.3 NNC(=O)CCCO BB_SC-03913 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.4 CCCCCC(C)=O BB_SC-06722 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.4 NCCCCC(=O)O BB_NC-02189 [0,1,0,0,0,0|0,0,0]=1 55 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.6 N=C(N)SCC(=O)O BB_SC-06632 [0,1,0,0,0,0|1,0,1]=3 60 B7R0.8 NCCSS(=O)(=O)O BB_SC-01533 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.8 O=S(=O)(Cl)CCCCl BB_SC-11226 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,0,0,1,0,0|1,0,1]=3 65 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.3 O=C1CNCCN1 BB_SC-04934 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.7 CCCCC1CO1 BB_SC-05509 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,0,0,1,0,0|1,0,0]=2 79 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,0,0,1,0,0|2,0,0]=3 80 B4R0.1 C#CC(=O)O BB_SC-06516 [2,0,0,0,0,0|0,0,2]=4 81 B4R0.1 CC(=O)CCl BB_SC-12393 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 CC(=O)CO BB_SC-06929 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.1 CCC(=O)Cl BB_SC-06942 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 CCC(C)=O BB_SC-06989 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 CCC(C)O BB_SC-07031 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 CNC(N)=O BB_SC-07198 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 COC(=O)Cl BB_SC-07075 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 COC(N)=O BB_SC-06903 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 NC(=O)CCl BB_SC-06849 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 NNC(N)=O BB_SC-07175 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 O=C(Br)CBr BB_SC-06823 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.1 O=C(Cl)CCl BB_SC-06733 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.1 O=C(O)CCl BB_SC-12338 [2,0,0,0,0,0|1,0,0]=3 94 B4R0.1 O=C(O)CI BB_SC-06475 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [2,0,0,0,0,0|1,0,1]=4 96 B4R0.2 BrCCCBr BB_SC-06684 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 CCCCCl BB_SC-07054 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.2 CCCCI BB_SC-06943 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.2 CCCCN BB_SC-06761 [2,0,0,0,0,0|0,0,1]=3 100 B4R0.2 CNCCN BB_NC-02991 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.2 CNCCO BB_SC-06928 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 C\C=C\C=O BB_SC-06898 [2,0,0,0,0,0|0,0,2]=4 103 B4R0.2 N#CCCO BB_SC-02742 [2,0,0,0,0,0|0,0,2]=4 104 B4R0.2 NCCCBr BB_SC-06502 [2,0,0,0,0,0|1,0,0]=3 105 B4R0.2 NCCCCl BB_SC-07208 [2,0,0,0,0,0|1,0,0]=3 106 B4R0.2 NCCCN BB_NC-02306 [2,0,0,0,0,0|1,0,0]=3 107 B4R0.2 NNCCO BB_SC-09930 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.2 OCCCBr BB_SC-07264 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,1,0,0,0,0|1,1,0]=4 113 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,1,0,0,0,0|0,0,2]=4 116 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.1 COC(=O)CCN BB_NC-01738 [1,1,0,0,0,0|0,0,0]=2 118 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [1,1,0,0,0,0|0,0,0]=2 121 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [1,1,0,0,0,0|0,0,0]=2 122 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [1,1,0,0,0,0|0,0,0]=2 124 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [1,1,0,0,0,0|0,0,2]=4 125 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.5 CCCS(=O)(=O)Cl BB_SC-09421 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.5 NCCS(N)(=O)=O BB_SC-11192 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.6 CCCCCCN BB_SC-05552 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.6 CCCCN=C=O BB_SC-06541 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.6 CCCCOC=O BB_SC-07045 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.6 CCOCCCN BB_SC-06885 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.6 NCCCCCN BB_NC-02202 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.6 NCCNCCN BB_SC-05557 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.6 NCCNCCO BB_SC-05591 [1,1,0,0,0,0|0,0,1]=3 136 B6R0.6 NCCOCCO BB_SC-07134 [1,1,0,0,0,0|0,0,1]=3 137 B6R0.6 NCCSCCO BB_SC-09747 [1,1,0,0,0,0|0,0,1]=3 138 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BB_NC-02400 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,2,0,0,0,0|1,0,1]=4 140 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.23 CN(CC(=O)O)C(=N)N BB_NC-02326 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.23 C[C@H](NC(N)=O)C(=O)O BB_NC-02469 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,2,0,0,0,0|1,0,1]=4 146 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,2,0,0,0,0|1,0,1]=4 147 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.6 COC(=O)CCN=C=O BB_NC-02138 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,2,0,0,0,0|0,0,1]=3 155 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,2,0,0,0,0|1,0,1]=4 156 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.7 O=C(O)CCCCCBr BB_SC-07210 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,2,0,0,0,0|0,0,0]=2 159 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [0,2,0,0,0,0|1,0,1]=4 160 B6R1.2 NC1=NCCC1 BB_SC-10415 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.2 O=C1CCCC1 BB_SC-09627 [1,0,0,1,0,0|1,0,0]=3 162 B6R1.2 O=C1CCSC1 BB_SC-08806 [1,0,0,1,0,0|2,0,0]=4 163 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,1,0,0|1,0,0]=3 164 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,1,0,0|1,0,0]=3 165 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [1,0,0,1,0,0|1,0,0]=3 166 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [1,0,0,1,0,0|1,0,0]=3 167 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [1,0,0,1,0,0|0,0,0]=2 168 B6R1.1 C1=COCCC1 BB_SC-07074 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.4 CN1CCCC(O)C1 BB_SC-02158 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.51 NC1CCS(=O)(=O)C1 BB_SC-01160 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.51 NC1CCS(=O)(=O)C1 BB_SC-12371 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [0,1,0,1,0,0|0,0,0]=2 184 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [0,1,0,1,0,0|0,0,0]=2 185 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1Br BB_SC-02689 [0,1,0,1,0,0|1,0,0]=3