0 B5R0.1 C#CCC(=O)O Z295890060 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C#CCC(C)N Z3490223481 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 C=C(C)CCN Z1203582475 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C=CCC(C)N Z1269638561 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CC#CC(=O)N Z1203579284 [0,0,0,0,0,0|0,0,2]=2 7 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CC(C)CCO Z104473558 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(N)CC#N Z1267773800 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CC(N)CCO Z385458430 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(O)CCN Z802904114 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(O)CCO Z104473530 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CCCC(=N)N Z1198394172 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.1 CCCC(=O)N Z33546461 [0,0,0,0,0,0|0,0,0]=0 16 B5R0.1 CCCC(=O)O Z104495380 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|1,0,1]=2 18 B5R0.1 CCNC(=N)N Z2574931373 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 CCOC(=N)N Z1741973543 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 CCOC(=O)N Z33546369 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CCSC(=N)N Z1708092306 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 CN(C)CCF Z5487577684 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CN(C)CCO Z104473552 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 CNCC(=O)N Z415678308 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.1 CNCC(=O)O Z104480276 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 CNCC(C)C Z951367674 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CNCC(C)N Z1413780485 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.1 CNCC(C)O Z138692700 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 CNCC(F)F Z1259341074 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 COCC(=N)N Z1258620054 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 COCC(=O)N Z33546778 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.1 COCC(=O)O Z104477404 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 COCC(C)O Z825742124 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 CS(=O)CC#N Z1198176972 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CS(=O)CCN Z802568576 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.1 CSCC(=N)N Z1459934800 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 CSCC(=O)N Z33545668 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.1 CSCC(C)O Z732208306 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.1 CSCS(=O)C Z1255438413 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.1 N#CCC(=N)N Z1198223505 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 N#CCC(=O)N Z56896153 [0,0,0,0,0,0|1,0,1]=2 47 B5R0.1 N#CCC(=O)O Z104476112 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 N#CCC(=S)N Z57046941 [0,0,0,0,0,0|1,1,1]=3 49 B5R0.1 N#CNC(=N)N Z203045078 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 N=C(N)CCO Z1198394167 [0,0,0,0,0,0|2,0,0]=2 51 B5R0.1 N=C(N)NC=O Z1203578554 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.1 NC(=O)CCO Z431951940 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 NCC=C(F)F Z4511316967 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 NCCC(=O)N Z415728050 [0,0,0,0,0,0|1,0,0]=1 56 B5R0.1 NCCC(=O)O Z57127544 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.1 NOCC(=O)O Z90662171 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.1 O=C(O)CCCl Z203045320 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.1 O=C(O)CCS Z104474322 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.1 O=C(O)CNO Z1205493750 [0,0,0,0,0,0|3,0,0]=3 62 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|0,0,0]=1 74 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,0]=2 75 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|0,1,0]=2 76 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|1,0,0]=2 83 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 N=C(N)NN Z1259217988 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|1,0,0]=2 93 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|0,0,3]=4 102 B4R0.2 CC#CCN Z1713595498 [1,0,0,0,0,0|0,0,3]=4 103 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|0,0,2]=3 104 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|0,0,1]=2 105 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|0,0,2]=3 106 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.2 CNCC#N Z1262250834 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.2 COCC#N Z86023357 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|0,0,0]=1 122 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|0,0,0]=1 123 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.1 CCCC(N)C#N Z398513448 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|1,0,1]=3 128 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|0,0,2]=3 129 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.1 CCNC(=N)NC Z1357224692 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.1 CCNC(=O)CN Z54747476 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.1 CCNC(=O)CO Z431952024 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.1 CCNC(=S)NN Z56965890 [0,1,0,0,0,0|1,1,0]=3 134 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.1 CCOC(=O)CN Z594038186 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.1 CCOC(=O)CO Z385458066 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.1 CCOC(=O)NN Z104478458 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.1 CNC(=O)CC#N Z56945997 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|1,0,0]=2 142 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.1 CNC(C)CSC Z995116552 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.1 COCC(N)C#N Z1601562385 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|1,0,2]=4 152 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|1,0,2]=4 153 B6R0.1 CONC(=O)CCl Z234816732 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.1 N#CCC(=O)NN Z104474618 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|1,0,1]=3 159 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,1,0,0,0,0|0,0,2]=3 160 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|1,0,2]=4 161 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,0,0,0,0|1,0,2]=4 162 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.2 CC(C)CB(O)O Z1098324138 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|0,0,0]=1 168 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.2 CC(C)NC(=S)N Z56979374 [0,1,0,0,0,0|1,1,0]=3 172 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|0,0,0]=1 173 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|1,0,0]=2 179 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,1,0,0,0,0|1,0,1]=3 181 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,1,0,0,0,0|1,0,1]=3 182 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,0,0,0,0|1,0,1]=3 183 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|1,0,0]=2 191 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|0,0,0]=1 192 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|0,0,0]=1 197 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|1,0,2]=4 200 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|1,0,0]=2 203 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|1,0,0]=2 204 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|1,0,0]=2 221 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,0,0,0,0|1,0,1]=3 227 B6R0.4 C#CCNC(=N)N Z1737940712 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,0,0,0,0|1,0,2]=4 229 B6R0.4 C#CCNC(=O)N Z198194920 [0,1,0,0,0,0|0,0,2]=3 230 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,0,0,0,0|0,0,2]=3 231 B6R0.4 C#CCSC(=N)N Z2805877169 [0,1,0,0,0,0|1,0,2]=4 232 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,0,0,0,0|1,0,2]=4 235 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|1,0,2]=4 236 B6R0.4 C=CCNC(=O)N Z56904662 [0,1,0,0,0,0|0,0,2]=3 237 B6R0.4 C=CCNC(=S)N Z56911918 [0,1,0,0,0,0|0,1,2]=4 238 B6R0.4 CC#CCC(C)N Z975788700 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|1,0,1]=3 240 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|1,0,1]=3 244 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.4 CCCCB(O)O Z1147227739 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|0,0,0]=1 251 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.4 CCCNC(=S)N Z56930715 [0,1,0,0,0,0|0,1,0]=2 255 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|0,0,0]=1 256 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|0,0,0]=1 257 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.4 CCNCC(F)F Z1691545150 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|1,0,0]=2 262 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|1,0,1]=3 263 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|1,0,0]=2 265 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.4 CNCCN(C)C Z138123106 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|0,0,0]=1 271 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|1,0,0]=2 272 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|1,0,1]=3 273 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|1,0,2]=4 274 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,0,0,0,0|1,0,2]=4 276 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|1,0,0]=2 278 B6R0.4 N#CCCC(=N)N Z3771050569 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|0,0,1]=2 280 B6R0.4 N#CCNC(=O)N Z600498544 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|2,0,0]=3 282 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|2,0,0]=3 284 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|0,0,0]=1 285 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|1,0,0]=2 286 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|0,0,0]=1 288 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|1,0,0]=2 289 B6R0.4 NCCCC(F)F Z1198165810 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|1,0,0]=2 293 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,0,0,0,0|1,0,2]=4 295 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.5 CC(C)(N)CCF Z4297373689 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.5 CC(C)(N)CCN Z2218555716 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,0,0,0,0|3,0,0]=4 302 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,1,0,0,0,0|2,0,0]=3 303 B6R0.5 COCC(C)(C)N Z1258578421 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|3,0,0]=4 305 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,1,0,0,0,0|2,0,0]=3 306 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|2,0,0]=3 308 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,1,0,0,0,0|3,0,0]=4 309 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,1,0,0,0,0|3,0,0]=4 310 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|3,0,0]=4 311 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|3,0,0]=4 312 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,1,0,0|2,0,0]=3 313 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|1,0,1]=3 315 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,1,0,0|1,0,0]=2 316 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,1,0,0|1,0,1]=3 317 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|2,0,0]=3 318 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|1,0,2]=4 319 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,1,0,0|2,0,1]=4 321 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|1,0,2]=4 322 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|1,0,2]=4 323 B6R1.2 O=C1C=CNN1 Z1198154338 [0,0,0,1,0,0|1,0,2]=4 324 B6R1.2 O=C1C=CSN1 Z1741980421 [0,0,0,1,0,0|1,0,2]=4 325 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|0,0,0]=1 326 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,0]=3 327 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|1,0,0]=2 328 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|2,0,0]=3 329 B6R1.2 O=C1NC=CN1 Z1198148260 [0,0,0,1,0,0|1,0,2]=4 330 B6R1.2 O=C1NC=CS1 Z445210514 [0,0,0,1,0,0|1,0,2]=4 331 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,1,0,0|1,0,0]=2 332 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|1,0,0]=2 333 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,1,0,0|1,0,0]=2 334 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|2,0,0]=3 335 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|2,0,0]=3 336 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,1,0,0|1,1,0]=3 337 B6R1.5 CC1CC(C1)N Z1357823942 [0,0,0,1,0,0|1,0,1]=3 338 B6R1.5 CC1CC(N1)C Z2143576622 [0,0,0,1,0,0|1,0,1]=3 339 B6R1.5 CN1CC(C1)N Z1741969265 [0,0,0,1,0,0|2,0,1]=4 340 B6R1.5 NC1CC(C1)N Z1511513968 [0,0,0,1,0,0|2,0,1]=4 341 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,0,0,1,0,0|2,0,1]=4 342 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,0,0,1,0,0|2,0,1]=4 343 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,0,0,1,0,0|2,0,1]=4 344 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|3,0,0]=4 345 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,0,0,1,0,0|2,0,1]=4 346 B6R1.10 CC1(CCC1)N Z1741969618 [0,0,0,1,0,0|1,0,1]=3 347 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|1,0,2]=4 348 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,0,0,1,0,0|3,0,0]=4 349 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|3,0,0]=4 350 B6R1.11 CC(N)C1CC1 Z89283349 [0,0,0,1,0,0|1,0,1]=3 351 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,1,0,0|1,0,0]=2 352 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,0,1,0,0|2,0,0]=3 353 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,1]=4 354 B3R0.1 N#CCN Z1210869368 [2,0,0,0,0,0|1,0,1]=4 355 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|1,0,0]=3 357 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|1,0,0]=3 358 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 359 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,0,0]=3 360 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,1]=4 361 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|0,0,0]=2 362 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,0]=3 363 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|1,0,0]=3 364 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|1,0,0]=3 365 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.3 C/N=C(\N)/NC Z1089996530 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.3 C/N=C(\N)/SC Z107728770 [1,1,0,0,0,0|1,1,0]=4 368 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|0,0,1]=3 370 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,0]=3 371 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|0,0,0]=2 372 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|0,0,0]=2 373 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.3 CCC(N)C#N Z445129502 [1,1,0,0,0,0|1,0,1]=4 376 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|0,0,2]=4 378 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|0,0,2]=4 379 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|2,0,0]=4 380 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|0,0,2]=4 383 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|0,0,2]=4 384 B5R0.3 CNC(=N)NN Z2301534051 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.3 CNC(=O)CCl Z56891219 [1,1,0,0,0,0|1,0,0]=3 386 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,0]=3 388 B5R0.3 CNC(=O)CS Z1203730878 [1,1,0,0,0,0|1,0,0]=3 389 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.3 N=C(CN)NO Z223781376 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|2,0,0]=4 393 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.4 CCS(=O)(=O)N Z54886646 [1,1,0,0,0,0|1,0,0]=3 395 B5R0.4 CNS(=O)(=O)N Z56762361 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.4 COS(=O)(=O)N Z300238034 [1,1,0,0,0,0|2,0,0]=4 397 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 399 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|0,0,0]=2 402 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|0,0,0]=2 405 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|0,0,0]=2 407 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.5 CC(N)C(C)N Z2335631664 [1,1,0,0,0,0|1,0,1]=4 409 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|1,0,0]=3 410 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|0,0,0]=2 411 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|1,0,0]=3 412 B5R0.5 CN(C)C(=N)N Z1839480548 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.5 CN(C)C(=S)N Z56347524 [1,1,0,0,0,0|1,1,0]=4 414 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,0]=3 415 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|0,0,0]=2 416 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,0]=3 417 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.2 C#CCCCN Z1945700461 [1,1,0,0,0,0|0,0,2]=4 421 B5R0.2 C#CCCNC Z3270794267 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.2 C#CCNCC Z815264056 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|0,0,2]=4 424 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.2 C=CCCC#N Z1219746591 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.2 CCC#CCN Z4935566672 [1,1,0,0,0,0|0,0,2]=4 429 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|0,0,0]=2 430 B5R0.2 CCCCCN Z104472246 [1,1,0,0,0,0|0,0,1]=3 431 B5R0.2 CCCNCC Z138446288 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.2 CCNCC#N Z235583784 [1,1,0,0,0,0|0,0,2]=4 433 B5R0.2 CCNCCF Z1198305484 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|0,0,2]=4 435 B5R0.2 CCOCC#N Z295205412 [1,1,0,0,0,0|0,0,2]=4 436 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|0,0,1]=3 437 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|0,0,2]=4 438 B5R0.2 CCSCCN Z3061111063 [1,1,0,0,0,0|0,0,1]=3 439 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|0,0,2]=4 440 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.2 CNCCSC Z1398461959 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|0,0,2]=4 443 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,2]=4 444 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.2 N#CCCCN Z1649677743 [1,1,0,0,0,0|0,0,2]=4 446 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|0,0,2]=4 447 B5R0.2 NC/C=C/CN Z2235386837 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.2 NCCCCF Z2177031126 [1,1,0,0,0,0|0,0,1]=3 449 B5R0.2 NCCCCN Z104472592 [1,1,0,0,0,0|0,0,1]=3 450 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,2,0,0,0,0|1,0,0]=3 451 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.2 CC(C)CC(N)CN Z425861052 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.2 CC(C)CC(N)CO Z734151210 [0,2,0,0,0,0|0,0,2]=4 455 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,2,0,0,0,0|0,0,2]=4 456 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|1,0,0]=3 457 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,2,0,0,0,0|1,1,0]=4 459 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|1,0,0]=3 464 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|1,0,0]=3 465 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,2,0,0,0,0|1,0,1]=4 466 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,2,0,0,0,0|0,1,0]=3 468 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,2,0,0,0,0|1,0,1]=4 474 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|1,0,1]=4 475 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|0,0,0]=2 476 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|0,0,0]=2 478 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|1,0,0]=3 484 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|1,0,0]=3 485 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,2,0,0,0,0|2,0,0]=4 486 B7R0.3 C#CCNC(=O)CN Z1262250790 [0,2,0,0,0,0|0,0,2]=4 487 B7R0.3 C#CCNC(=O)NC Z177091744 [0,2,0,0,0,0|0,0,2]=4 488 B7R0.3 C#CCOC(=O)CN Z3401786508 [0,2,0,0,0,0|0,0,2]=4 489 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.3 CC(CN)CCCO Z2234185702 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,2,0,0,0,0|0,0,1]=3 492 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.3 CCC(N)CCOC Z818738108 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.3 CCCCC(=O)CC Z406378226 [0,2,0,0,0,0|1,0,0]=3 495 B7R0.3 CCCCC(C)NC Z446022384 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.3 CCCCC(N)CC Z3303777618 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.3 CCCCC(N)CN Z756921038 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.3 CCCCN(C)N=O Z1198149449 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.3 CCCNC(=O)CC Z33030426 [0,2,0,0,0,0|1,0,0]=3 500 B7R0.3 CCCNC(=S)NN Z56985754 [0,2,0,0,0,0|0,1,0]=3 501 B7R0.3 CCNCC(=O)NC Z55849445 [0,2,0,0,0,0|0,0,0]=2 502 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|1,0,0]=3 503 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|0,0,2]=4 504 B7R0.3 CCSCC(C)NC Z1238713281 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|1,0,0]=3 506 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|0,0,0]=2 507 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|1,0,0]=3 509 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|0,0,0]=2 510 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.3 COC(=O)CCC#N Z1179894109 [0,2,0,0,0,0|1,0,1]=4 512 B7R0.3 COC(=O)NCCN Z2237317343 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.3 COCCC(C)CN Z879061310 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|1,0,0]=3 515 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|0,0,0]=2 516 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,2,0,0,0,0|0,0,1]=3 518 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|1,0,1]=4 521 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|1,0,0]=3 525 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|0,0,1]=3 527 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|0,0,1]=3 528 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|0,0,1]=3 529 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,2,0,0,0,0|1,0,0]=3 531 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|0,0,1]=3 534 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|1,0,0]=3 543 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|1,0,0]=3 548 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|1,0,0]=3 552 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.7 CCCC(C)CCN Z2768767726 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.7 CCCC(C)CNC Z3214687920 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.7 CCNC(=O)CCCl Z239813542 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.7 CCNC(=O)CCN Z1449756826 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.7 CCNC(=O)CCO Z975909368 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.7 CCNC(=O)CNC Z594038090 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.7 CCOC(=O)CC#N Z104473162 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.7 CCOC(=O)OCC Z104482516 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,2,0,0,0,0|0,0,2]=4 566 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|0,0,0]=2 567 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,2,0,0,0,0|0,0,2]=4 568 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|0,0,2]=4 569 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|0,0,0]=2 570 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.11 CCCC(C)(N)CO Z734150846 [0,2,0,0,0,0|0,0,2]=4 585 B7R0.11 CCCS(=O)(=O)NC Z55026691 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.11 CNS(=O)(=O)CCN Z1778350436 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|0,0,0]=2 590 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|1,0,0]=3 591 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,2,0,0,0,0|1,1,0]=4 592 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|0,0,0]=2 594 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|1,0,0]=3 596 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,2,0,0,0,0|1,1,0]=4 608 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.9 N=C(N)CC(F)(F)F Z1272672457 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|1,0,0]=3 618 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|0,0,0]=2 620 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.16 CC(C)C(O)C(C)N Z975823338 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|0,0,0]=2 625 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|1,0,0]=3 626 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|1,0,0]=3 628 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|1,0,0]=3 629 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|1,0,0]=3 631 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|0,0,0]=2 646 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|1,0,0]=3 647 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,2,0,0,0,0|0,0,0]=2 649 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|1,0,0]=3 651 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,2,0,0,0,0|1,0,0]=3 652 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.14 CCN(C)S(=O)(=O)N Z409026870 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,2,0,0,0,0|1,0,0]=3 659 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,2,0,0,0,0|0,0,0]=2 661 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,2,0,0,0,0|0,1,0]=3 662 B7R0.15 CCC(CC)C(C)N Z728804288 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.15 CCN(CC)C(=S)N Z55928942 [0,2,0,0,0,0|1,1,0]=4 668 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,2,0,0,0,0|1,0,0]=3 669 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.15 COC(OC)C(=O)N Z56754520 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,2,0,0,0,0|0,0,1]=3 676 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,2,0,0,0,0|0,0,1]=3 677 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.4 C#CCOCC(=O)O Z362807246 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.4 C#CCSCC(=O)O Z149151642 [0,2,0,0,0,0|1,0,1]=4 680 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.4 C=CCNCC(=O)O Z803145546 [0,2,0,0,0,0|1,0,1]=4 682 B7R0.4 C=CCOCC(=O)O Z362807794 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.4 C=CCSCC(=O)O Z149151274 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.4 CC(=O)NCCCN Z295405102 [0,2,0,0,0,0|1,0,0]=3 686 B7R0.4 CC(=O)NCCCO Z353570744 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.4 CC(N)CCCCN Z2186882580 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.4 CC(N)CCCCO Z2234185667 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.4 CCCCCC(=N)N Z3490473907 [0,2,0,0,0,0|1,0,0]=3 691 B7R0.4 CCCCCC(=O)O Z104503532 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.4 CCCCCC(C)N Z104495176 [0,2,0,0,0,0|1,0,1]=4 693 B7R0.4 CCCCNC(=S)N Z56930717 [0,2,0,0,0,0|0,1,0]=3 694 B7R0.4 CCCCOC(=O)N Z104476286 [0,2,0,0,0,0|0,0,0]=2 695 B7R0.4 CCCNCC(=O)N Z2211231296 [0,2,0,0,0,0|0,0,0]=2 696 B7R0.4 CCCNCC(=O)O Z744582718 [0,2,0,0,0,0|1,0,0]=3 697 B7R0.4 CCCOCC(=O)O Z406677750 [0,2,0,0,0,0|1,0,0]=3 698 B7R0.4 CCCSCC(=O)C Z447929234 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.4 CCCSCC(=O)O Z228425458 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.4 CCNCCC(=O)N Z2681234913 [0,2,0,0,0,0|0,0,0]=2 701 B7R0.4 CCNCCC(=O)O Z1869802098 [0,2,0,0,0,0|1,0,0]=3 702 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|1,0,0]=3 703 B7R0.4 CCSCCC(=O)O Z197206046 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.4 CNCCCC(=O)O Z57043473 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.4 CNCCNC(=O)C Z1456777974 [0,2,0,0,0,0|1,0,0]=3 706 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|1,0,0]=3 709 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|0,0,0]=2 710 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|1,0,0]=3 711 B7R0.4 CSCCCC(=O)O Z54602911 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.4 N#CCSCC(=O)O Z19691779 [0,2,0,0,0,0|1,0,1]=4 714 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|0,0,0]=2 715 B7R0.4 NC(=O)NCCCO Z198194722 [0,2,0,0,0,0|0,0,0]=2 716 B7R0.4 NCCCCC(=O)N Z1639630947 [0,2,0,0,0,0|0,0,0]=2 717 B7R0.4 NCCCCC(=O)O Z271111992 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.4 NCCCOC(=O)N Z3337481796 [0,2,0,0,0,0|0,0,0]=2 719 B7R0.4 NCCNCC(=O)O Z2692249907 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.4 NCCOCC(=O)N Z1428158847 [0,2,0,0,0,0|0,0,0]=2 721 B7R0.4 NCCOCC(=O)O Z1650039500 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.4 NCCSCC(=O)O Z1381287295 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.4 O=C(O)CCCCBr Z104479696 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.4 O=C(O)CCCCS Z808230828 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.4 O=C(O)CNCCO Z425411352 [0,2,0,0,0,0|1,0,0]=3 726 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.4 O=C([O-])COCCO Z1744715804 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,2,0,0,0,0|1,0,1]=4 730 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,2,0,0,0,0|0,1,1]=4 732 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|0,0,0]=2 736 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|0,0,0]=2 737 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|1,0,0]=3 738 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|1,0,0]=3 742 B7R0.6 CC(N)CCC(F)F Z2737504348 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.6 CC(N)CCN(C)C Z316119490 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|0,0,0]=2 748 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,2,0,0,0,0|0,1,0]=3 750 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,2,0,0,0,0|1,0,1]=4 753 B7R0.8 C#CCCS(=O)(=O)N Z1180069291 [0,2,0,0,0,0|1,0,1]=4 754 B7R0.8 CC#CCS(=O)(=O)N Z1180069210 [0,2,0,0,0,0|1,0,1]=4 755 B7R0.8 CC(C)(N)CCCN Z1184860919 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,2,0,0,0,0|2,0,0]=4 760 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|2,0,0]=4 762 B7R0.8 COCCC(C)(C)N Z879061970 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,2,0,0,0,0|1,0,0]=3 764 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.8 N#CCCS(=O)(=O)N Z734460668 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.8 NCCNS(=O)(=O)N Z3487421172 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,2,0,0,0,0|1,0,0]=3 771 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|1,0,1]=4 772 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,0]=3 773 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,1]=4 774 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,1]=4 775 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|2,0,0]=4 776 B7R1.1 C#CC1CCCN1 Z1203832764 [0,1,0,1,0,0|1,0,1]=4 777 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,1,0,0|1,0,1]=4 778 B7R1.1 CNC1=NCCN1 Z3072981652 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.1 CNC1=NCCS1 Z744843656 [0,1,0,1,0,0|1,1,0]=4 780 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,1,0,0|1,0,1]=4 781 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|0,0,2]=4 782 B7R1.1 CSC1=NCCN1 Z56790627 [0,1,0,1,0,0|1,1,0]=4 783 B7R1.1 FCC1CCCN1 Z2216711551 [0,1,0,1,0,0|1,0,1]=4 784 B7R1.1 NCC1=NCCN1 Z2714784585 [0,1,0,1,0,0|2,0,0]=4 785 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|2,0,0]=4 786 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,1,0,0|1,0,1]=4 787 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,1,0,0|0,1,1]=4 788 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,1,0,1,0,0|1,0,1]=4 789 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,1,0,1,0,0|1,0,1]=4 790 B7R1.1 NNC1CCCC1 Z285139110 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.1 O=CC1=CCSC1 Z57981092 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,1,0,0|2,0,0]=4 795 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,1,0,0|0,0,2]=4 796 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,1,0,0|0,0,2]=4 797 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,1,0,1,0,0|0,0,2]=4 798 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,1,0,1,0,0|0,0,2]=4 799 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,1,0,1,0,0|0,0,1]=3 801 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|0,0,0]=2 803 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|0,0,0]=2 804 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,1,0,0|0,0,2]=4 805 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|0,0,2]=4 806 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,1,0,0|0,1,1]=4 807 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|0,0,0]=2 808 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|0,0,1]=3 812 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|1,0,0]=3 813 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|0,0,0]=2 814 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|0,0,0]=2 815 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,1,0,0|1,0,1]=4 817 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,1,0,1,0,0|1,0,0]=3 819 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|1,0,0]=3 820 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|0,0,0]=2 821 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,1,0,0|1,0,1]=4 822 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,1,0,1,0,0|0,0,2]=4 824 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,1,0,1,0,0|1,0,1]=4 825 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,1,0,0|2,0,0]=4 826 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|0,0,0]=2 827 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|0,0,0]=2 830 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,1,0,0|0,0,1]=3 831 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|1,0,1]=4 832 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,1,0,0|1,0,1]=4 835 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,1,0,1,0,0|1,0,1]=4 836 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.3 C=C1CCNCC1 Z1124146875 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|1,0,1]=4 839 B7R1.3 CC1CNCCN1 Z104480242 [0,1,0,1,0,0|1,0,1]=4 840 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,1,0,0|1,0,1]=4 841 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.3 FC1=CCCNC1 Z1570657372 [0,1,0,1,0,0|1,0,1]=4 845 B7R1.3 NC1=NCCCC1 Z1723418848 [0,1,0,1,0,0|1,0,0]=3 846 B7R1.3 NC1=NCCCN1 Z1259041088 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.3 NC1=NCCCS1 Z2211231389 [0,1,0,1,0,0|0,1,0]=3 848 B7R1.3 NC1C=CCCC1 Z1203579654 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.3 NC1CCCCC1 Z1945707495 [0,1,0,1,0,0|1,0,1]=4 850 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,1,0,0|0,0,2]=4 851 B7R1.3 NC1CCCSC1 Z1029463244 [0,1,0,1,0,0|0,1,1]=4 852 B7R1.3 NC1CCOCC1 Z600428352 [0,1,0,1,0,0|1,0,1]=4 853 B7R1.3 NC1CCSCC1 Z992716928 [0,1,0,1,0,0|1,0,1]=4 854 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,1,0,0|1,0,0]=3 857 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,1,0,0|0,0,0]=2 858 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|0,0,0]=2 861 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,1,0,0|0,0,0]=2 862 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|1,0,0]=3 864 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|0,0,0]=2 865 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,1,0,0|0,0,0]=2 866 B7R1.3 O=C1CSCSC1 Z1251333166 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.3 O=C1NCCCN1 Z1203730774 [0,1,0,1,0,0|0,0,0]=2 868 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|0,0,0]=2 869 B7R1.3 O=C1NCNCN1 Z1255437058 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.3 O=S1CCNCC1 Z1263714072 [0,1,0,1,0,0|2,0,0]=4 872 B7R1.3 S=C1NCNCN1 Z56756573 [0,1,0,1,0,0|1,1,0]=4 873 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|1,0,1]=4 874 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 875 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|1,0,0]=3 876 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,1,0,0|1,0,1]=4 877 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|0,0,0]=2 878 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,1,0,0|1,0,1]=4 879 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,1,0,0|0,0,0]=2 881 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.4 CN1CCSC1=N Z3242405392 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,1,0,0|1,0,1]=4 885 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,1,0,0|1,0,1]=4 886 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,1,0,0|1,0,1]=4 887 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,0]=3 888 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,0,0]=3 889 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,0]=3 890 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,1,0,0|0,0,2]=4 892 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,1,0,1,0,0|1,0,1]=4 893 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,1,0,0|0,0,2]=4 894 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,0]=3 896 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,1,0,0|0,0,2]=4 897 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,0,0]=3 898 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,0]=3 899 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|1,0,0]=3 900 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|0,0,0]=2 901 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,1,0,1,0,0|1,0,1]=4 902 B7R1.6 CCCC1CNC1 Z2310679174 [0,1,0,1,0,0|1,0,1]=4 903 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|1,0,1]=4 904 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|1,0,1]=4 905 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,1,0,1,0,0|0,0,1]=3 909 B7R1.10 CCC1CC(C1)N Z4130021870 [0,1,0,1,0,0|1,0,1]=4 910 B7R1.10 CSC1CC(C1)N Z2724378300 [0,1,0,1,0,0|1,0,1]=4 911 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.21 CCCC1(CC1)N Z3072982019 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.22 C#CC(N)C1CC1 Z3335415540 [0,1,0,1,0,0|1,0,1]=4 915 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,1,0,1,0,0|1,0,1]=4 918 B7R1.22 CN(N=O)C1CC1 Z1934631325 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.22 CNC(=N)C1CC1 Z2120060845 [0,1,0,1,0,0|1,0,0]=3 920 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,1,0,1,0,0|0,0,0]=2 921 B7R1.22 CNC(C)C1CC1 Z270730248 [0,1,0,1,0,0|1,0,1]=4 922 B7R1.22 N#CC(N)C1CC1 Z1266854880 [0,1,0,1,0,0|1,0,1]=4 923 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [0,1,0,1,0,0|0,0,1]=3 924 B7R1.22 N=C(NN)C1CC1 Z951367962 [0,1,0,1,0,0|1,0,0]=3 925 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,1,0,1,0,0|0,0,2]=4 926 B7R1.22 NCC(N)C1CC1 Z445154916 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.22 NCC(O)C1CC1 Z802856322 [0,1,0,1,0,0|0,0,2]=4 928 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,1,0,1,0,0|0,0,0]=2 929 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|0,0,0]=2 932 B7R1.25 C=CC1(CCC1)N Z3241265563 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,1,0,1,0,0|1,0,1]=4 934 B7R1.25 CC1(CCC1)CN Z1357823912 [0,1,0,1,0,0|1,0,1]=4 935 B7R1.25 CCC1(CCC1)N Z1333043532 [0,1,0,1,0,0|1,0,1]=4 936 B7R1.25 CNC1(CCC1)C Z1255443634 [0,1,0,1,0,0|1,0,1]=4 937 B7R1.25 N#CC1(CCC1)N Z406679978 [0,1,0,1,0,0|1,0,1]=4 938 B7R1.25 NC1(CCC1)CO Z1203581511 [0,1,0,1,0,0|0,0,2]=4 939 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,1,0,1,0,0|1,0,1]=4 940 B7R1.25 NCC1(CCC1)F Z1862011799 [0,1,0,1,0,0|1,0,1]=4 941 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,1,0,0|0,0,2]=4 942 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|1,0,1]=4 943 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,1,0,1,0,0|1,0,1]=4 945 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|0,0,0]=2 946 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|1,0,0]=3 947 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|1,0,0]=3 948 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,1,0,1,0,0|2,0,0]=4 949 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|1,0,0]=3 950 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|0,0,0]=2 951 B7R1.16 CC1(CC(C1)O)N Z1618150088 [0,1,0,1,0,0|1,0,1]=4 952 B7R1.16 CC1CC(C1)(C)N Z3034505681 [0,1,0,1,0,0|1,0,1]=4 953 B7R1.16 CC1CC(N1)(C)C Z803145478 [0,1,0,1,0,0|1,0,1]=4 954 B7R1.16 C[C@@]1(C[C@@H](C1)N)F Z2740389572 [0,1,0,1,0,0|1,0,1]=4 955 B7R1.16 NC1CS(=O)(=O)C1 Z1614337716 [0,1,0,1,0,0|2,0,0]=4 956 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,1,0,1,0,0|1,0,0]=3 958 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|0,0,0]=2 959 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|0,0,0]=2 960 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,1,0,1,0,0|0,1,0]=3 961 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|1,0,0]=3 962 B7R1.32 CC1(CC1(C)N)C Z2528325599 [0,1,0,1,0,0|1,0,1]=4 963 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,1,0,1,0,0|1,0,0]=3 964 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|0,0,0]=2 966 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|0,0,0]=2 967 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|1,0,0]=3 969 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|1,0,0]=3 970 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|1,0,0]=3 971 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,1,0,1,0,0|1,0,0]=3 973 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.19 CC(N)C1(CC1)F Z1510158579 [0,1,0,1,0,0|1,0,1]=4 975 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,1,0,1,0,0|0,0,0]=2 977 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,1,0,1,0,0|1,0,0]=3 978 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,1,0,1,0,0|0,0,0]=2 979 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,1,0,1,0,0|1,0,0]=3 980 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,1,0,1,0,0|1,0,0]=3 981 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,1,0,0|1,0,1]=4 982 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,1,0,0|1,0,1]=4 983 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,1,0,0|1,0,1]=4 984 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,1,0,0|1,0,1]=4 985 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,1,0,0|1,0,0]=3 986 B7R1.26 NS(=O)(=O)C1CC1 Z1233201610 [0,1,0,1,0,0|1,0,0]=3 987 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,2,0,0|1,0,1]=4 988 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,2,0,0|1,0,1]=4 989 B7R2.3 NC1CC12CC2 Z2379087701 [0,0,0,2,0,0|1,0,1]=4