0 B5R0.3 C#CC(N)CO Z2235790715 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=C(CC)CN Z2238934536 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C=CC(N)CO Z2146514374 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CC(C#N)CO Z406338220 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 CC(CN)CN Z951173758 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CC(CN)CO Z406342068 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CC(CO)CS Z1262475362 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.3 CC/C(=N/O)/N Z241067842 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CCC(=O)CC Z104476878 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 CCC(=O)CN Z1203579016 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CCC(=O)NN Z56886418 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CCC(C)CN Z2350903977 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 CCC(N)CN Z1263714131 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 CCC(N)CO Z104474862 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CCC(O)CN Z419084746 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 CCC(O)CO Z600450538 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.3 CC[C@H](N)CO Z1203162358 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 CNC(=O)CCl Z56891219 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 CNC(=O)CN Z57981102 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CNC(=O)CO Z431952700 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 CNC(=O)CS Z1203730878 [0,0,0,0,0,0|2,1,0]=3 22 B5R0.3 COC(=O)CN Z57042020 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.3 COC(C)CO Z1198150719 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 CSC(C)CO Z1273053291 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 N#CC(N)CO Z2301438409 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 N=C(CN)NO Z223781376 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.3 NC(CO)CO Z1203577940 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.3 NCC(=O)CN Z1198147360 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.3 NCC(F)CN Z2733320873 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.3 NCC(N)CN Z1203578196 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.3 NCC(O)CF Z2311274712 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.3 O=C(CO)CO Z1255442144 [0,0,0,0,0,0|0,0,0]=0 33 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.3 OCC(O)CO Z104473548 [0,0,0,0,0,0|0,0,2]=2 35 B5R0.3 OCC(O)CS Z1255382958 [0,0,0,0,0,0|0,1,2]=3 36 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,1,0]=4 55 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|0,0,2]=3 64 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|0,0,0]=1 79 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 C=CCC(N)CO Z1815149150 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.1 CCNC(=O)CN Z54747476 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 CCNC(=O)CO Z431952024 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.1 CCOC(=O)CN Z594038186 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.1 CCOC(=O)CO Z385458066 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.1 CCOC(=O)NN Z104478458 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.1 CNC(=O)CC#N Z56945997 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|1,0,1]=3 114 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.1 CONC(=O)CCl Z234816732 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|1,1,1]=4 119 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|0,1,2]=4 120 B6R0.1 N#CCC(=O)NN Z104474618 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.3 CN(C)C(=O)CN Z54751082 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.3 CN(C)C(=O)CO Z431952018 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.3 CNC(=O)C(C)N Z105197440 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.3 CNC(=O)C(C)O Z431951884 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.3 CNC(=O)C(F)F Z32016385 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.3 COC(=O)C(C)N Z56968898 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.8 CC(C)(CN)CO Z3247605488 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.9 CCC(CO)CO Z1198261463 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.9 CCC(CO)OC Z1255373272 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.9 CCN(CC)N=O Z1255485632 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.9 CNC(CO)CO Z1939437574 [0,1,0,0,0,0|1,0,1]=3 148 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|1,1,0]=3 155 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|1,0,2]=4 157 B6R1.7 CC1(CO1)CCl Z1201618277 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.7 NC1(CC1)CO Z1741975623 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|2,0,1]=4 161 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,1]=3 162 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|2,0,0]=4 163 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 166 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 167 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|0,1,0]=3 168 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,0]=2 170 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,0]=3 171 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.1 CC(=CCN)C Z1827897919 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|0,0,0]=2 177 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.1 CCOC(=O)N Z33546369 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.1 CN(C)CCO Z104473552 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|1,0,0]=3 188 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|0,0,0]=2 189 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|0,0,2]=4 190 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 CS(=O)CC#N Z1198176972 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.1 CSCC(=O)N Z33545668 [1,1,0,0,0,0|1,1,0]=4 195 B5R0.1 CSCS(=O)C Z1255438413 [1,1,0,0,0,0|1,1,0]=4 196 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.1 N#CCC(=O)N Z56896153 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|1,0,0]=3 199 B5R0.1 N=C(N)CCO Z1198394167 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|0,0,0]=2 204 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|0,1,0]=3 207 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|0,0,0]=2 208 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|0,0,2]=4 210 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|0,0,1]=3 212 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|0,0,2]=4 223 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|0,1,0]=3 224 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|0,0,1]=3 229 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,1]=3 235 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.2 NC/C=C/CN Z2235386837 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.2 OC/C=C/CO Z237581088 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.3 C#CCNC(=O)CC Z220957516 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.3 C#CCNC(=O)CCl Z147651658 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.3 C#CCNC(=O)CN Z1262250790 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.3 C#CCOC(=O)CN Z3401786508 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.3 C=CCNC(=O)CCl Z56899047 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.3 CCCCC(=O)CC Z406378226 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.3 CCCNC(=O)CC Z33030426 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|0,0,2]=4 253 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.3 N#CCNC(=O)CCl Z258588590 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|0,0,0]=2 259 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.5 CC(C)C(=O)CC#N Z319444036 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.7 CCNC(=O)CCCl Z239813542 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.7 CCNC(=O)CCN Z1449756826 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.7 CCNC(=O)CCO Z975909368 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.7 CCNC(=O)CNC Z594038090 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.7 CCOC(=O)CC#N Z104473162 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.7 CCOC(=O)OCC Z104482516 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.7 COCC(N)CCO Z1238548168 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.10 CCC(=O)C(C)C#N Z385381340 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.10 OC/C(=C(\I)/CO)/I Z2943434815 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,2,0,0,0,0|0,0,2]=4 284 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|0,0,2]=4 285 B7R0.11 COCC(C)(C)CO Z1198238137 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.11 COCC(C)(N)CO Z992449368 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.11 OCCC(F)(F)CO Z1896514152 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.12 O=CNC(CO)CO Z1259117052 [0,2,0,0,0,0|0,0,1]=3 289 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|0,0,2]=4 290 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,2,0,0,0,0|0,0,2]=4 295 B7R0.18 C#CC(N)(CO)CO Z4890240833 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.18 CC(CO)(CO)CO Z299622542 [0,2,0,0,0,0|0,0,2]=4 297 B7R0.18 NC(CO)(CO)CO Z104509094 [0,2,0,0,0,0|0,0,2]=4 298 B7R0.18 NCC(N)(CO)CO Z4628649688 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.18 NCC(O)(CO)CO Z3268384933 [0,2,0,0,0,0|0,0,2]=4 300 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|1,0,1]=4 301 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|0,0,2]=4 303 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|1,0,1]=4 304 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|0,0,2]=4 305 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|0,0,2]=4 306 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|0,0,2]=4 307 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.1 OCC1=COC=C1 Z397587426 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.1 OCC1=NOC=C1 Z875021162 [0,1,0,1,0,0|1,0,1]=4 312 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|1,0,1]=4 313 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,1,0,0|0,0,2]=4 319 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,1,0,0|1,1,0]=4 325 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,1,0,0|1,1,0]=4 328 B7R1.3 O=C1CSCSC1 Z1251333166 [0,1,0,1,0,0|0,2,0]=4 329 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.21 COCC1(CO1)C Z1020679792 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,1,0,1,0,0|1,0,0]=3 347 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.29 OCC1(CC1)CO Z1255465434 [0,1,0,1,0,0|1,0,1]=4