0 B5R0.1 C#CCC(=O)O Z295890060 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C#CCC(C)O Z969111576 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=C(C)CCN Z1203582475 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC#CC(=O)N Z1203579284 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.1 CC(C)CCO Z104473558 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(N)CCO Z385458430 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(O)CC#N Z847151284 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CC(O)CCN Z802904114 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(O)CCO Z104473530 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CCCC(=N)N Z1198394172 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CCCC(=O)N Z33546461 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CCCC(=O)O Z104495380 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CCNC(=N)N Z2574931373 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 CCOC(=N)N Z1741973543 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 CCOC(=O)N Z33546369 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CCSC(=N)N Z1708092306 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 CN(C)CCF Z5487577684 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 CN(C)CCO Z104473552 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|3,1,0]=4 23 B5R0.1 CNCC(=O)N Z415678308 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 CNCC(=O)O Z104480276 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 CNCC(C)O Z138692700 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 COCC(=N)N Z1258620054 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.1 COCC(=O)N Z33546778 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 COCC(=O)O Z104477404 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 COCC(C)O Z825742124 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CS(=O)CC#N Z1198176972 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CS(=O)CCN Z802568576 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CSCC(=N)N Z1459934800 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.1 CSCC(=O)N Z33545668 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.1 CSCC(C)O Z732208306 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CSCS(=O)C Z1255438413 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.1 N#CCC(=N)N Z1198223505 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 N#CCC(=O)N Z56896153 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.1 N#CCC(=O)O Z104476112 [0,0,0,0,0,0|1,0,1]=2 41 B5R0.1 N#CCC(=S)N Z57046941 [0,0,0,0,0,0|2,1,1]=4 42 B5R0.1 N=C(N)CCO Z1198394167 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.1 NC(=O)CCO Z431951940 [0,0,0,0,0,0|1,0,0]=1 44 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 NCC=C(F)F Z4511316967 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 NCCC(=O)N Z415728050 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.1 NCCC(=O)O Z57127544 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.1 NOCC(=O)O Z90662171 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,0,0,0,0,0|1,0,2]=3 50 B5R0.1 O=C(O)CCCl Z203045320 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.1 O=C(O)CCS Z104474322 [0,0,0,0,0,0|0,1,0]=1 52 B5R0.1 O=C(O)CNO Z1205493750 [0,0,0,0,0,0|1,0,0]=1 53 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|0,0,2]=3 54 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|0,0,2]=3 57 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|0,0,0]=1 66 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|1,1,0]=3 67 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|0,0,0]=1 91 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|1,0,1]=3 112 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.1 CCNC(=O)CN Z54747476 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.1 CCNC(=O)CO Z431952024 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.1 CCOC(=O)CN Z594038186 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.1 CCOC(=O)CO Z385458066 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.1 CCOC(=O)NN Z104478458 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.1 CNC(=O)CC#N Z56945997 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|1,1,1]=4 131 B6R0.1 N#CCC(=O)NN Z104474618 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,0,0,0,0|1,0,2]=4 133 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.2 CC(C)CB(O)O Z1098324138 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,0,0,0,0|3,0,0]=4 144 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,1,0,0,0,0|1,0,2]=4 150 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,0,0,0,0|0,0,2]=3 151 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,1,0,0,0,0|1,0,2]=4 152 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,1,0,0,0,0|1,0,2]=4 153 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,0,0,0,0|0,0,1]=2 154 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|1,0,1]=3 155 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|0,0,0]=1 159 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|0,0,0]=1 179 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|0,1,0]=2 180 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|1,0,0]=2 181 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|0,0,0]=1 185 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|0,1,0]=2 186 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|0,0,0]=1 187 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|1,0,1]=3 188 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.4 C#CCCC(C)O Z854048672 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.4 C#CCNC(=O)N Z198194920 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.4 C=CCNC(=O)N Z56904662 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.4 CC(C)NCCO Z137800940 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.4 CC(C)OCCO Z104478444 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.4 CCCCB(O)O Z1147227739 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|2,0,0]=3 211 B6R0.4 CCCNC(=S)N Z56930715 [0,1,0,0,0,0|2,1,0]=4 212 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|1,0,0]=2 215 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|1,0,0]=2 217 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|1,0,0]=2 221 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|0,0,0]=1 223 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,0,0,0,0|0,1,2]=4 227 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|2,1,0]=4 228 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|0,1,0]=2 229 B6R0.4 N#CCCC(=N)N Z3771050569 [0,1,0,0,0,0|3,0,0]=4 230 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.4 N#CCNC(=O)N Z600498544 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|0,0,1]=2 244 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,0,0,0,0|0,0,1]=2 245 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|0,1,0]=2 246 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|1,0,1]=3 254 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,1,0,0,0,0|1,1,1]=4 256 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|3,0,0]=4 257 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|3,0,0]=4 258 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,1,0,0|3,0,0]=4 259 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,1,0,0|3,0,0]=4 260 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|3,0,0]=4 261 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|1,0,2]=4 263 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,0]=3 265 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|1,1,0]=3 267 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,1,0,0|3,0,0]=4 268 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,1,0,0|2,1,0]=4 270 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|2,0,0]=3 271 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|3,0,0]=4 272 B6R1.2 OC1=NOC=C1 Z1255501207 [0,0,0,1,0,0|1,0,2]=4 273 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,1]=4 274 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|1,0,1]=3 275 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|1,1,1]=4 276 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|2,0,1]=4 277 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|2,0,1]=4 278 B6R1.3 ClCCC1CO1 Z1205657512 [0,0,0,1,0,0|2,0,1]=4 279 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|2,0,1]=4 280 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,0,0,1,0,0|2,0,1]=4 281 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,0,0,1,0,0|1,0,1]=3 282 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|3,0,0]=4 283 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|2,0,1]=4 284 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|2,0,1]=4 285 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|2,0,1]=4 286 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,0,0,1,0,0|2,0,1]=4 287 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|2,0,0]=3 288 B6R1.11 CC(C)C1CO1 Z1020679856 [0,0,0,1,0,0|2,0,1]=4 289 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,1,0,0|3,0,0]=4 290 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,0,1,0,0|2,0,1]=4 291 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,1]=3 292 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|2,0,0]=4 293 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 294 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 295 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 296 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 297 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|0,1,0]=3 298 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 299 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,0]=2 300 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,0]=3 301 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,0]=3 306 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|1,0,1]=4 309 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,1]=4 310 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|0,0,2]=4 311 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.3 CNC(=O)CCl Z56891219 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.3 CNC(=O)CS Z1203730878 [1,1,0,0,0,0|1,1,0]=4 319 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.3 N=C(CN)NO Z223781376 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|2,0,0]=4 324 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|0,0,0]=2 325 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|0,0,2]=4 327 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|0,1,1]=4 328 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.4 CCS(=O)(=O)N Z54886646 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|0,0,2]=4 332 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|0,0,1]=3 333 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 334 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|0,0,0]=2 335 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|1,0,0]=3 337 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|0,0,0]=2 338 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|1,0,0]=3 340 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|0,0,0]=2 341 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|0,0,0]=2 343 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 344 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,0]=3 345 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|0,0,0]=2 347 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|0,0,0]=2 348 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 349 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|0,0,0]=2 350 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 351 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|0,0,1]=3 352 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|1,0,0]=3 354 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|2,0,0]=4 355 B5R0.2 C=CCCC#N Z1219746591 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|2,0,0]=4 357 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.2 CC#CCCO Z1033337288 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|1,0,0]=3 360 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|1,0,1]=4 365 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,1]=3 366 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.2 OC/C=C/CO Z237581088 [1,1,0,0,0,0|0,0,1]=3 369 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|1,0,0]=3 375 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,2,0,0,0,0|1,0,1]=4 379 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|0,0,2]=4 380 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|0,0,0]=2 384 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,2,0,0,0,0|1,0,1]=4 385 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|0,0,0]=2 387 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|0,0,0]=2 388 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.3 CCCCC(=O)CC Z406378226 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.3 CCCNC(=O)CC Z33030426 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.3 CCNCC(=O)NC Z55849445 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|1,0,0]=3 398 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.3 COC(=O)CCC#N Z1179894109 [0,2,0,0,0,0|1,0,0]=3 401 B7R0.3 COC(=O)NCCN Z2237317343 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|1,0,0]=3 408 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|1,0,0]=3 409 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|0,0,2]=4 412 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,2,0,0,0,0|1,0,0]=3 420 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|0,0,0]=2 422 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|0,0,0]=2 423 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|0,1,0]=3 424 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|0,1,0]=3 425 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|0,0,0]=2 427 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|1,0,0]=3 430 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|0,0,0]=2 431 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|0,0,0]=2 432 B7R0.7 CCCC(O)CCO Z1198158209 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.7 CCNC(=O)CCCl Z239813542 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.7 CCNC(=O)CCN Z1449756826 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.7 CCNC(=O)CCO Z975909368 [0,2,0,0,0,0|1,0,0]=3 436 B7R0.7 CCOC(=O)CC#N Z104473162 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.7 CCOC(=O)OCC Z104482516 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.7 COCC(N)CCO Z1238548168 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,2,0,0,0,0|1,0,1]=4 441 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|0,0,0]=2 451 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|0,1,0]=3 452 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|1,0,0]=3 453 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|0,1,0]=3 454 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|1,0,0]=3 455 B7R0.10 OC/C(=C(\I)/CO)/I Z2943434815 [0,2,0,0,0,0|1,0,1]=4 456 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,2,0,0,0,0|0,0,2]=4 457 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|0,0,2]=4 458 B7R0.11 OCCC(F)(F)CO Z1896514152 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|1,0,0]=3 465 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,2,0,0,0,0|1,0,1]=4 469 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,2,0,0,0,0|1,0,1]=4 470 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|1,0,1]=4 472 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,2,0,0,0,0|0,0,1]=3 475 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|1,0,0]=3 478 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|2,0,0]=4 479 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|1,0,0]=3 484 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|1,0,0]=3 485 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|0,0,0]=2 486 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|2,0,0]=4 488 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|0,0,0]=2 489 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|0,0,0]=2 490 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|2,0,0]=4 491 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|0,0,0]=2 492 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,2,0,0,0,0|0,0,1]=3 493 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|1,0,0]=3 495 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,2,0,0,0,0|1,0,0]=3 496 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,2,0,0,0,0|1,0,0]=3 498 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|1,0,0]=3 500 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|0,0,0]=2 501 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,2,0,0,0,0|1,0,0]=3 502 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|0,0,0]=2 503 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|0,0,0]=2 504 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,2,0,0,0,0|1,0,0]=3 506 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,2,0,0,0,0|1,0,0]=3 510 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,2,0,0,0,0|1,0,0]=3 516 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,2,0,0,0,0|0,0,1]=3 518 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,2,0,0,0,0|1,0,0]=3 519 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,2,0,0,0,0|1,0,0]=3 520 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,2,0,0,0,0|1,0,0]=3 522 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|1,0,0]=3 524 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,2,0,0,0,0|2,0,0]=4 525 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,2,0,0,0,0|1,0,0]=3 528 B7R0.4 C#CCOCC(=O)O Z362807246 [0,2,0,0,0,0|1,0,0]=3 529 B7R0.4 C#CCSCC(=O)O Z149151642 [0,2,0,0,0,0|1,0,0]=3 530 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,2,0,0,0,0|1,0,0]=3 531 B7R0.4 C=CCNCC(=O)O Z803145546 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.4 C=CCOCC(=O)O Z362807794 [0,2,0,0,0,0|1,0,0]=3 533 B7R0.4 C=CCSCC(=O)O Z149151274 [0,2,0,0,0,0|1,0,0]=3 534 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.4 CC(=O)NCCCN Z295405102 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.4 CC(=O)NCCCO Z353570744 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.4 CCCCCC(=O)O Z104503532 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.4 CCCCOC(=O)N Z104476286 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.4 CCCNCC(=O)N Z2211231296 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.4 CCCNCC(=O)O Z744582718 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.4 CCCOCC(=O)O Z406677750 [0,2,0,0,0,0|1,0,0]=3 543 B7R0.4 CCCSCC(=O)C Z447929234 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.4 CCCSCC(=O)O Z228425458 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.4 CCNCCC(=O)N Z2681234913 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.4 CCNCCC(=O)O Z1869802098 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|0,0,0]=2 548 B7R0.4 CCSCCC(=O)O Z197206046 [0,2,0,0,0,0|0,1,0]=3 549 B7R0.4 CNCCCC(=O)O Z57043473 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.4 CNCCNC(=O)C Z1456777974 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|0,0,0]=2 554 B7R0.4 COCCCC(C)O Z854048762 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.4 CSCCCC(=O)O Z54602911 [0,2,0,0,0,0|0,1,0]=3 558 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.4 N#CCSCC(=O)O Z19691779 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.4 NC(=O)NCCCO Z198194722 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.4 NCCCCC(=O)N Z1639630947 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.4 NCCCCC(=O)O Z271111992 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.4 NCCCOC(=O)N Z3337481796 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.4 NCCNCC(=O)O Z2692249907 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.4 NCCOCC(=O)N Z1428158847 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.4 NCCOCC(=O)O Z1650039500 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.4 NCCSCC(=O)O Z1381287295 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.4 O=C(O)CCCCBr Z104479696 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.4 O=C(O)CCCCS Z808230828 [0,2,0,0,0,0|0,1,0]=3 571 B7R0.4 O=C(O)CNCCO Z425411352 [0,2,0,0,0,0|0,0,0]=2 572 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,2,0,0,0,0|0,0,1]=3 573 B7R0.4 O=C([O-])COCCO Z1744715804 [0,2,0,0,0,0|0,0,1]=3 574 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|0,0,1]=3 575 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,2,0,0,0,0|0,0,2]=4 577 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|1,0,0]=3 583 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|0,0,0]=2 587 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|0,0,1]=3 590 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,2,0,0,0,0|0,0,2]=4 593 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,2,0,0,0,0|0,0,2]=4 594 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,2,0,0,0,0|0,0,0]=2 595 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.8 CS(=O)(=O)NCCO Z57801016 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,2,0,0,0,0|1,0,1]=4 603 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|0,0,0]=2 604 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,1]=4 605 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,1]=4 606 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,1]=4 607 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,1]=4 608 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|1,0,1]=4 612 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|1,0,0]=3 618 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,1,0,0|1,0,1]=4 628 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|0,0,1]=3 629 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|1,0,0]=3 634 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,1,0,0|1,1,0]=4 635 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,1,0,0|1,1,0]=4 638 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,1,0,0|1,1,0]=4 641 B7R1.3 O=C1CSCSC1 Z1251333166 [0,1,0,1,0,0|1,1,0]=4 642 B7R1.3 O=C1NCCCN1 Z1203730774 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|1,0,0]=3 644 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|1,0,1]=4 646 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,1,0,0|1,0,1]=4 648 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|1,0,0]=3 649 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,0]=3 655 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,1,0]=4 656 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,1,0]=4 659 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,0]=3 660 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,1,0]=4 661 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,0]=3 662 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|2,0,0]=4 663 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,1,0,1,0,0|1,0,0]=3 671 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|1,0,0]=3 676 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|2,0,0]=4 681 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|2,0,0]=4 683 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|1,0,0]=3 685 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|1,0,0]=3 686 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|0,1,0]=3 688 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,1,0,1,0,0|2,0,0]=4 689 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,1,0,1,0,0|2,0,0]=4 690 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,1,0,1,0,0|1,0,0]=3 693 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,1,0,1,0,0|1,0,0]=3 695 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|1,0,1]=4 697 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|1,0,1]=4 699 B7R1.7 COCCC1CO1 Z1495386141 [0,1,0,1,0,0|1,0,1]=4 700 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,1,0,1,0,0|1,0,1]=4