0 B5R0.3 C=C(CC)CN Z2238934536 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CC(CN)CN Z951173758 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CC(CN)CO Z406342068 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CC/C(=N/O)/N Z241067842 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.3 CCC(=O)CC Z104476878 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CCC(=O)CN Z1203579016 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 CCC(=O)NN Z56886418 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CCC(C)CN Z2350903977 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CCC(N)CN Z1263714131 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CCC(O)CN Z419084746 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 CNC(=N)NN Z2301534051 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.3 CNC(=O)CCl Z56891219 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 CNC(=O)CN Z57981102 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CNC(=O)CO Z431952700 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CNC(=O)CS Z1203730878 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CNC(C)CN Z941154208 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 COC(=O)CN Z57042020 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.3 COC(C)CN Z1795817756 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 COC(C)CO Z1198150719 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CSC(C)CN Z844632970 [0,0,0,0,0,0|2,1,1]=4 20 B5R0.3 N=C(CN)NO Z223781376 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.3 N=C(NN)NN Z90663781 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 NCC(=O)CN Z1198147360 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 NCC(F)CN Z2733320873 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 NCC(N)CN Z1203578196 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 NCC(O)CF Z2311274712 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 NNC(=S)NN Z56823019 [0,0,0,0,0,0|3,1,0]=4 27 B5R0.3 O=C(CO)CO Z1255442144 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,1,0]=4 46 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|2,1,0]=4 53 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 N=C(N)NN Z1259217988 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|0,0,0]=1 68 B4R0.1 NCC(F)F Z1295543893 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CC#CCN Z1713595498 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 NCC#CBr Z4442967693 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.1 CCNC(=O)CN Z54747476 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.1 CCNC(=O)CO Z431952024 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 CCOC(=O)CN Z594038186 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.1 CCOC(=O)CO Z385458066 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.1 CCOC(=O)NN Z104478458 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.1 CNC(=O)CC#N Z56945997 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.1 CONC(=O)CCl Z234816732 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.1 N#CCC(=O)NN Z104474618 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 CN(C)C(=N)CN Z220638406 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 CN(C)C(=O)CN Z54751082 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 CN(C)C(=O)CO Z431952018 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 CNC(=O)C(C)N Z105197440 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 CNC(=O)C(C)O Z431951884 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.3 CNC(=O)C(F)F Z32016385 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.3 COC(=N)C(C)C Z2944341356 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.3 COC(=O)C(C)N Z56968898 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 NCC(=C(Cl)Cl)Cl Z1945984228 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.8 COC(C)(C)CN Z1266933932 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.9 CCC(CN)OC Z2168541798 [0,1,0,0,0,0|2,0,1]=4 128 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 O=C1C=CNN1 Z1198154338 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.6 COC1CNC1 Z1267773781 [0,0,0,1,0,0|2,0,1]=4 140 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 N#CCN Z1210869368 [2,0,0,0,0,0|1,0,1]=4 142 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|1,0,1]=4 143 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|1,0,1]=4 144 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|0,0,1]=3 146 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|0,1,1]=4 147 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,1]=4 148 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 149 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,0]=2 150 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,0]=3 151 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.1 CC#CC(=O)N Z1203579284 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.1 CC(=CCN)C Z1827897919 [1,1,0,0,0,0|2,0,0]=4 157 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 CCOC(=N)N Z1741973543 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.1 CCOC(=O)N Z33546369 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|0,0,0]=2 165 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.1 CSCC(=O)N Z33545668 [1,1,0,0,0,0|1,1,0]=4 171 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.1 N#CCC(=O)N Z56896153 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|0,0,1]=3 174 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.1 NCC=C(Cl)Cl Z2469606492 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.1 NCC=C(F)F Z4511316967 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|0,0,0]=2 179 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|0,0,0]=2 180 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|1,0,0]=3 183 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|0,0,0]=2 184 B5R0.4 COS(=O)(=O)C Z133684226 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.4 COS(=O)(=O)N Z300238034 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|2,0,0]=4 191 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|0,0,0]=2 196 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|1,0,0]=3 198 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|0,0,0]=2 199 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|0,0,0]=2 201 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.2 C=C/C=C/CN Z3270208113 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.2 NC/C=C/CN Z2235386837 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.3 C#CCNC(=O)CN Z1262250790 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.3 C#CCOC(=O)CN Z3401786508 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.3 CCNCC(=O)NC Z55849445 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.3 COC(=O)CCC#N Z1179894109 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.3 COC(=O)NCCN Z2237317343 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.7 CCNC(=O)CCN Z1449756826 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.7 CCNC(=O)CNC Z594038090 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.7 CCOC(=O)CC#N Z104473162 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.7 CCOC(=O)OCC Z104482516 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|1,0,0]=3 252 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.14 CNC(=O)C(C)(C)N Z1449756243 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.14 COC(=O)C(C)(C)Cl Z1551954570 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.14 COC(=O)C(C)(C)N Z339270984 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [0,2,0,0,0,0|2,0,0]=4 261 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,0]=3 262 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|1,0,1]=4 263 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.1 NCC1=COC=C1 Z406680098 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.1 NCC1=NC=CO1 Z4774639311 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.1 NCC1=NC=NO1 Z2310727797 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.1 NCC1=NN=CO1 Z104505014 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.1 NCC1=NOC=C1 Z802903300 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.1 NCC1=NOC=N1 Z1266854926 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.1 NCC1=NON=C1 Z2944173400 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.3 O=C1NCNCN1 Z1255437058 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,1,0]=4 292 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,1,0]=4 295 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,1,0]=4 297 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,0]=3