0 B5R0.1 C#CCC(=O)O Z295890060 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.1 C#CCC(C)O Z969111576 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,0,0,0,0|0,0,2]=2 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|1,0,2]=3 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|2,0,0]=2 7 B5R0.1 CC(C)CCO Z104473558 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(N)CCO Z385458430 [0,0,0,0,0,0|3,0,1]=4 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|2,0,1]=3 12 B5R0.1 CCCC(=N)N Z1198394172 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCCC(=O)N Z33546461 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 CCCC(=O)O Z104495380 [0,0,0,0,0,0|0,0,0]=0 15 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CCNC(=N)N Z2574931373 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 CCOC(=N)N Z1741973543 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CCOC(=O)N Z33546369 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 CCSC(=N)N Z1708092306 [0,0,0,0,0,0|3,0,0]=3 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|4,0,0]=4 22 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CNCC(=O)N Z415678308 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CNCC(=O)O Z104480276 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 CNCC(C)C Z951367674 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 CNCC(C)N Z1413780485 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 CNCC(C)O Z138692700 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CNCC(F)F Z1259341074 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 COCC(=N)N Z1258620054 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 COCC(=O)N Z33546778 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 COCC(=O)O Z104477404 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.1 COCC(C)O Z825742124 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CS(=O)CC#N Z1198176972 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CS(=O)CCN Z802568576 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 CSCC(=N)N Z1459934800 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.1 CSCC(=O)N Z33545668 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.1 CSCC(C)O Z732208306 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.1 CSCS(=O)C Z1255438413 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 N#CCC(=N)N Z1198223505 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 N#CCC(=O)N Z56896153 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 N#CCC(=O)O Z104476112 [0,0,0,0,0,0|1,0,1]=2 46 B5R0.1 N#CCC(=S)N Z57046941 [0,0,0,0,0,0|2,1,1]=4 47 B5R0.1 N=C(N)CCO Z1198394167 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.1 NC(=O)CCO Z431951940 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 NCC=C(F)F Z4511316967 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 NCCC(=O)N Z415728050 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.1 NCCC(=O)O Z57127544 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.1 NOCC(=O)O Z90662171 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,0,0,0,0,0|1,0,2]=3 55 B5R0.1 O=C(O)CCCl Z203045320 [0,0,0,0,0,0|1,0,0]=1 56 B5R0.1 O=C(O)CCS Z104474322 [0,0,0,0,0,0|1,0,0]=1 57 B5R0.1 O=C(O)CNO Z1205493750 [0,0,0,0,0,0|2,0,0]=2 58 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|0,0,2]=3 59 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|0,0,2]=3 62 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|0,0,0]=1 71 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|1,1,0]=3 72 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|0,0,1]=2 100 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 CNCC#N Z1262250834 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 COCC#N Z86023357 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,0,0,0,0|0,0,2]=3 111 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|0,0,0]=1 117 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.1 CCCC(N)C#N Z398513448 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.1 CCNC(=N)NC Z1357224692 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.1 CCNC(=O)CN Z54747476 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.1 CCNC(=O)CO Z431952024 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.1 CCNC(=S)NN Z56965890 [0,1,0,0,0,0|2,1,0]=4 128 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.1 CCOC(=O)CN Z594038186 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.1 CCOC(=O)CO Z385458066 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.1 CCOC(=O)NN Z104478458 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.1 CNC(=O)CC#N Z56945997 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.1 CONC(=O)CCl Z234816732 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.1 N#CCC(=O)NN Z104474618 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,0,0,0,0|0,0,2]=3 150 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|0,0,1]=2 151 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,1,0,0,0,0|1,0,2]=4 152 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|0,0,2]=3 153 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,0,0,0,0|1,0,2]=4 154 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.2 CC(C)CB(O)O Z1098324138 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|1,0,0]=2 159 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|0,0,0]=1 160 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.2 CC(C)NC(=S)N Z56979374 [0,1,0,0,0,0|2,1,0]=4 163 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|0,0,0]=1 165 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|0,0,0]=1 170 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,0,0,0,0|1,0,1]=3 173 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|0,0,2]=3 177 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|1,0,0]=2 179 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|1,0,0]=2 180 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|0,0,0]=1 184 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|0,0,0]=1 186 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|1,0,0]=2 188 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|0,0,0]=1 189 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|1,0,1]=3 191 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|0,0,0]=1 193 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|0,0,0]=1 194 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|0,0,0]=1 195 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|1,0,0]=2 203 B6R0.3 CSC(C)C(C)O Z1273036711 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|1,0,0]=2 206 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,0,0,0,0|0,0,1]=2 216 B6R0.4 C#CCCC(C)O Z854048672 [0,1,0,0,0,0|1,0,2]=4 217 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,0,0,0,0|1,0,2]=4 218 B6R0.4 C#CCNC(=O)N Z198194920 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,0,0,0,0|0,0,1]=2 222 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|1,0,2]=4 223 B6R0.4 C=CCNC(=O)N Z56904662 [0,1,0,0,0,0|1,0,2]=4 224 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|1,0,1]=3 231 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|0,0,1]=2 232 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,0,0,0,0|0,0,1]=2 233 B6R0.4 CCCCB(O)O Z1147227739 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|0,0,0]=1 237 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.4 CCCNC(=S)N Z56930715 [0,1,0,0,0,0|1,1,0]=3 240 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|0,0,0]=1 243 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.4 CCNCC(F)F Z1691545150 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|0,0,0]=1 247 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.4 CNCCN(C)C Z138123106 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|0,0,0]=1 257 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,0,0,0,0|0,0,2]=3 261 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|0,0,0]=1 263 B6R0.4 N#CCCC(=N)N Z3771050569 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.4 N#CCNC(=O)N Z600498544 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|3,0,0]=4 267 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|0,0,0]=1 274 B6R0.4 NCCCC(F)F Z1198165810 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,0,0,0,0|1,0,0]=2 276 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|0,0,2]=3 279 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,0,0,0,0|0,0,2]=3 280 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|0,0,0]=1 281 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.5 CNCC(C)(C)O Z600453550 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,1,0,0,0,0|2,0,1]=4 293 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|3,0,0]=4 294 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|3,0,0]=4 295 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,1,0,0|3,0,0]=4 296 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,1,0,0|2,1,0]=4 297 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|2,0,1]=4 298 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,1,0,0|2,0,0]=3 299 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,1,0,0|2,0,0]=3 300 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|3,0,0]=4 301 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|0,0,2]=3 302 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|1,0,0]=2 303 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,0]=3 304 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|2,0,0]=3 305 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|2,0,0]=3 306 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,1,0,0|2,0,0]=3 307 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|1,0,0]=2 308 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,1,0,0|1,1,0]=3 309 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|1,0,0]=2 310 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|2,0,0]=3 311 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|1,0,2]=4 312 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|2,0,1]=4 313 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|2,0,1]=4 315 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|2,0,1]=4 316 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,1,0,0|2,1,0]=4 317 B6R1.3 ClCCC1CO1 Z1205657512 [0,0,0,1,0,0|2,0,1]=4 318 B6R1.5 CC1CC(C1)N Z1357823942 [0,0,0,1,0,0|2,0,1]=4 319 B6R1.5 CC1CC(N1)C Z2143576622 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,0,0,1,0,0|2,0,1]=4 321 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,0,0,1,0,0|2,0,1]=4 322 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|3,0,0]=4 323 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|2,0,1]=4 324 B6R1.10 CC1(CCC1)N Z1741969618 [0,0,0,1,0,0|2,0,1]=4 325 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|1,0,1]=3 326 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,0,0,1,0,0|2,0,1]=4 327 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|3,0,0]=4 328 B6R1.11 CC(N)C1CC1 Z89283349 [0,0,0,1,0,0|2,0,1]=4 329 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,1,0,0|2,0,0]=3 330 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,0,1,0,0|1,0,1]=3 331 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,2]=4 332 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 333 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 334 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 335 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 336 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,0]=3 337 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 338 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,0]=2 339 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,0]=3 340 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|2,0,0]=4 342 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|1,0,0]=3 343 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,0]=3 344 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,0]=3 345 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|1,0,0]=3 346 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,1]=4 349 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|0,0,2]=4 350 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|2,0,0]=4 351 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 352 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.3 CNC(=O)CCl Z56891219 [1,1,0,0,0,0|2,0,0]=4 355 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,0]=3 357 B5R0.3 CNC(=O)CS Z1203730878 [1,1,0,0,0,0|1,1,0]=4 358 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|1,0,0]=3 359 B5R0.3 N=C(CN)NO Z223781376 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|2,0,0]=4 361 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|1,0,0]=3 362 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.4 CCS(=O)(=O)N Z54886646 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|0,0,2]=4 365 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|0,0,1]=3 366 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 367 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|0,0,0]=2 368 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|2,0,0]=4 369 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|0,0,0]=2 371 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|1,0,0]=3 373 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|0,0,0]=2 374 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 375 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|0,0,0]=2 376 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,0]=3 378 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|0,0,0]=2 380 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|0,0,0]=2 381 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|0,0,0]=2 383 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|1,0,0]=3 386 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.2 C#CCCCN Z1945700461 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.2 C#CCCNC Z3270794267 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.2 C#CCNCC Z815264056 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.2 C=CCCC#N Z1219746591 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|1,0,0]=3 395 B5R0.2 CC#CCCO Z1033337288 [1,1,0,0,0,0|0,0,2]=4 396 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|0,0,0]=2 397 B5R0.2 CCCCCN Z104472246 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.2 CCCNCC Z138446288 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.2 CCNCC#N Z235583784 [1,1,0,0,0,0|1,0,1]=4 400 B5R0.2 CCNCCF Z1198305484 [1,1,0,0,0,0|1,0,1]=4 401 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|0,0,1]=3 402 B5R0.2 CCOCC#N Z295205412 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|0,0,1]=3 405 B5R0.2 CCSCCN Z3061111063 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|0,0,1]=3 407 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|1,0,1]=4 408 B5R0.2 CNCCSC Z1398461959 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|1,0,1]=4 410 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,1]=3 411 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|1,0,1]=4 412 B5R0.2 N#CCCCN Z1649677743 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|0,0,2]=4 414 B5R0.2 NCCCCF Z2177031126 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.2 NCCCCN Z104472592 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.2 OC/C=C/CO Z237581088 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.2 CC(C)CC(N)CO Z734151210 [0,2,0,0,0,0|1,0,1]=4 421 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,2,0,0,0,0|1,0,1]=4 422 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|0,0,0]=2 426 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|0,0,1]=3 428 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|0,0,0]=2 430 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|1,0,0]=3 431 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,2,0,0,0,0|1,1,0]=4 432 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|0,0,0]=2 433 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|0,0,0]=2 434 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,2,0,0,0,0|1,0,0]=3 436 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|0,0,1]=3 438 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|1,0,0]=3 439 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,2,0,0,0,0|0,0,2]=4 441 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|0,0,0]=2 442 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|0,0,0]=2 443 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|0,0,0]=2 444 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|0,0,0]=2 445 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|0,0,0]=2 446 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.3 CCC(O)CCCN Z1259162031 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.3 CCCCC(=O)CC Z406378226 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.3 CCCCN(C)N=O Z1198149449 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.3 CCCNC(=O)CC Z33030426 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.3 CCCNC(=S)NN Z56985754 [0,2,0,0,0,0|1,1,0]=4 455 B7R0.3 CCNCC(=O)NC Z55849445 [0,2,0,0,0,0|1,0,0]=3 456 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|0,0,0]=2 457 B7R0.3 CCNCC(O)CC Z600449680 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|0,0,2]=4 460 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|1,0,0]=3 465 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|0,0,0]=2 466 B7R0.3 COC(=O)CCC#N Z1179894109 [0,2,0,0,0,0|0,0,1]=3 467 B7R0.3 COC(=O)NCCN Z2237317343 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|0,0,0]=2 470 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,2,0,0,0,0|1,0,1]=4 472 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|0,0,1]=3 473 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|0,0,1]=3 475 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|0,0,1]=3 476 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|0,0,0]=2 477 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|0,0,0]=2 480 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|0,0,0]=2 481 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|0,0,0]=2 482 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|0,0,0]=2 483 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,2,0,0,0,0|2,0,0]=4 484 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,2,0,0,0,0|2,0,0]=4 485 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|0,0,0]=2 486 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,2,0,0,0,0|2,0,0]=4 489 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|0,0,0]=2 491 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,2,0,0,0,0|2,0,0]=4 492 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|0,0,0]=2 495 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|2,0,0]=4 496 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|0,0,0]=2 497 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|0,0,0]=2 498 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|0,0,0]=2 499 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|0,0,0]=2 500 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|0,0,0]=2 501 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|0,0,0]=2 502 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|0,0,0]=2 503 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|0,0,0]=2 504 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|0,0,0]=2 505 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|0,0,0]=2 506 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|0,0,0]=2 507 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,2,0,0,0,0|0,0,2]=4 508 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.7 CCCC(O)CCO Z1198158209 [0,2,0,0,0,0|0,0,2]=4 510 B7R0.7 CCNC(=O)CCCl Z239813542 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.7 CCNC(=O)CCN Z1449756826 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.7 CCNC(=O)CCO Z975909368 [0,2,0,0,0,0|1,0,0]=3 513 B7R0.7 CCNC(=O)CNC Z594038090 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.7 CCOC(=N)CSC Z4498865780 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.7 CCOC(=O)CC#N Z104473162 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|1,0,0]=3 517 B7R0.7 CCOC(=O)OCC Z104482516 [0,2,0,0,0,0|1,0,0]=3 518 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|1,0,0]=3 522 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,2,0,0,0,0|1,0,1]=4 523 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|1,0,0]=3 526 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|1,0,0]=3 533 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|1,0,0]=3 534 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.11 CCCC(C)(N)CO Z734150846 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.11 CCCS(=O)(=O)NC Z55026691 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|0,0,2]=4 542 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|1,0,0]=3 543 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|0,0,0]=2 544 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|0,0,0]=2 546 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|0,0,0]=2 548 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|0,0,0]=2 550 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|0,0,0]=2 552 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,2,0,0,0,0|0,0,2]=4 564 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,2,0,0,0,0|1,0,1]=4 568 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|0,0,0]=2 569 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|0,0,0]=2 570 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|0,0,0]=2 571 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|0,0,0]=2 573 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|0,0,0]=2 574 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|0,0,0]=2 576 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|0,0,0]=2 577 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|0,0,0]=2 578 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|0,0,0]=2 579 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|0,0,0]=2 582 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|0,0,0]=2 583 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|0,0,0]=2 585 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,2,0,0,0,0|0,0,2]=4 587 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,2,0,0,0,0|1,0,0]=3 591 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|1,0,0]=3 596 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,2,0,0,0,0|0,0,0]=2 598 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|0,0,0]=2 600 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,2,0,0,0,0|1,0,0]=3 601 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,2,0,0,0,0|0,0,0]=2 602 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|0,0,0]=2 603 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,2,0,0,0,0|1,0,0]=3 607 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,2,0,0,0,0|0,0,0]=2 611 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,2,0,0,0,0|1,1,0]=4 614 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,2,0,0,0,0|0,0,1]=3 615 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,2,0,0,0,0|0,0,0]=2 616 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,2,0,0,0,0|0,0,0]=2 617 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,2,0,0,0,0|0,0,0]=2 618 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.15 COC(OC)C(=O)N Z56754520 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,2,0,0,0,0|0,0,1]=3 628 B7R0.4 C#CCOCC(=O)O Z362807246 [0,2,0,0,0,0|0,0,1]=3 629 B7R0.4 C#CCSCC(=O)O Z149151642 [0,2,0,0,0,0|0,0,1]=3 630 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,2,0,0,0,0|0,0,2]=4 631 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,2,0,0,0,0|0,0,0]=2 632 B7R0.4 C=CCNCC(=O)O Z803145546 [0,2,0,0,0,0|0,0,1]=3 633 B7R0.4 C=CCOCC(=O)O Z362807794 [0,2,0,0,0,0|0,0,1]=3 634 B7R0.4 C=CCSCC(=O)O Z149151274 [0,2,0,0,0,0|0,0,1]=3 635 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,2,0,0,0,0|0,0,0]=2 636 B7R0.4 CC(=O)NCCCN Z295405102 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.4 CC(=O)NCCCO Z353570744 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,2,0,0,0,0|0,0,0]=2 639 B7R0.4 CCCCCC(=N)N Z3490473907 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.4 CCCCCC(=O)O Z104503532 [0,2,0,0,0,0|0,0,0]=2 641 B7R0.4 CCCCNC(=S)N Z56930717 [0,2,0,0,0,0|1,1,0]=4 642 B7R0.4 CCCCOC(=O)N Z104476286 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.4 CCCNCC(=O)N Z2211231296 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.4 CCCNCC(=O)O Z744582718 [0,2,0,0,0,0|0,0,0]=2 645 B7R0.4 CCCOCC(=O)O Z406677750 [0,2,0,0,0,0|0,0,0]=2 646 B7R0.4 CCCSCC(=O)C Z447929234 [0,2,0,0,0,0|1,0,0]=3 647 B7R0.4 CCCSCC(=O)O Z228425458 [0,2,0,0,0,0|0,0,0]=2 648 B7R0.4 CCNCCC(=O)N Z2681234913 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.4 CCNCCC(=O)O Z1869802098 [0,2,0,0,0,0|0,0,0]=2 650 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|0,0,0]=2 651 B7R0.4 CCSCCC(=O)O Z197206046 [0,2,0,0,0,0|0,0,0]=2 652 B7R0.4 CNCCCC(=O)O Z57043473 [0,2,0,0,0,0|0,0,0]=2 653 B7R0.4 CNCCNC(=O)C Z1456777974 [0,2,0,0,0,0|1,0,0]=3 654 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|0,0,0]=2 657 B7R0.4 COCCCC(C)O Z854048762 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|1,0,0]=3 659 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.4 CSCCCC(=O)O Z54602911 [0,2,0,0,0,0|0,0,0]=2 661 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,2,0,0,0,0|0,0,0]=2 662 B7R0.4 N#CCSCC(=O)O Z19691779 [0,2,0,0,0,0|0,0,1]=3 663 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.4 NC(=O)NCCCO Z198194722 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.4 NCCCCC(=O)N Z1639630947 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.4 NCCCCC(=O)O Z271111992 [0,2,0,0,0,0|0,0,0]=2 667 B7R0.4 NCCCOC(=O)N Z3337481796 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.4 NCCNCC(=O)O Z2692249907 [0,2,0,0,0,0|0,0,0]=2 669 B7R0.4 NCCOCC(=O)N Z1428158847 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.4 NCCOCC(=O)O Z1650039500 [0,2,0,0,0,0|0,0,0]=2 671 B7R0.4 NCCSCC(=O)O Z1381287295 [0,2,0,0,0,0|0,0,0]=2 672 B7R0.4 O=C(O)CCCCBr Z104479696 [0,2,0,0,0,0|0,0,0]=2 673 B7R0.4 O=C(O)CCCCS Z808230828 [0,2,0,0,0,0|0,0,0]=2 674 B7R0.4 O=C(O)CNCCO Z425411352 [0,2,0,0,0,0|0,0,0]=2 675 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,2,0,0,0,0|0,0,1]=3 676 B7R0.4 O=C([O-])COCCO Z1744715804 [0,2,0,0,0,0|0,0,1]=3 677 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|0,0,0]=2 678 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,2,0,0,0,0|0,0,1]=3 679 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|0,0,1]=3 681 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|0,0,0]=2 683 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|0,0,0]=2 686 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|0,0,0]=2 688 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|0,0,0]=2 689 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|0,0,0]=2 690 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|0,0,0]=2 692 B7R0.6 CC(O)CNC(C)C Z138692704 [0,2,0,0,0,0|1,0,1]=4 693 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|1,0,0]=3 695 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|0,0,0]=2 696 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,2,0,0,0,0|1,1,0]=4 697 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|0,0,0]=2 698 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,2,0,0,0,0|1,0,1]=4 699 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,2,0,0,0,0|1,0,1]=4 700 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,2,0,0,0,0|1,0,1]=4 701 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,2,0,0,0,0|0,0,1]=3 702 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,2,0,0,0,0|1,0,1]=4 704 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.8 CCNCC(C)(C)O Z600453556 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|1,0,0]=3 709 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,2,0,0,0,0|1,0,1]=4 710 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,2,0,0,0,0|1,0,1]=4 711 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,2,0,0,0,0|1,0,1]=4 712 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,2,0,0,0,0|1,0,1]=4 715 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|0,0,0]=2 716 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|2,0,0]=4 717 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|1,0,0]=3 719 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,1,0,0|1,0,1]=4 720 B7R1.1 N#CC1CCCO1 Z1079178976 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,1,0,0|1,0,0]=3 722 B7R1.1 O=CC1=CCSC1 Z57981092 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,1,0,0|1,0,1]=4 724 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,1,0,0|2,0,0]=4 725 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,1,0,0|1,0,1]=4 726 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,1,0,0|1,0,1]=4 727 B7R1.1 OCC1CCCS1 Z1201679857 [0,1,0,1,0,0|0,1,1]=4 728 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,1,0,1,0,0|0,0,2]=4 730 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,1,0,1,0,0|1,0,1]=4 732 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|1,0,1]=4 736 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|0,0,0]=2 738 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|2,0,0]=4 742 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|0,0,0]=2 745 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|1,0,0]=3 747 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|1,0,1]=4 749 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|1,0,0]=3 751 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,0]=3 752 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,1,0,0|1,0,1]=4 753 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|0,0,1]=3 754 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,1,0,0|1,0,1]=4 755 B7R1.3 C=C1CCNCC1 Z1124146875 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|1,0,1]=4 758 B7R1.3 FC1=CCCNC1 Z1570657372 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.3 NC1=NCCCC1 Z1723418848 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.3 NC1=NCCCN1 Z1259041088 [0,1,0,1,0,0|2,0,0]=4 761 B7R1.3 NC1=NCCCS1 Z2211231389 [0,1,0,1,0,0|1,1,0]=4 762 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,1,0,0|1,0,1]=4 763 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,1,0,0|0,0,1]=3 765 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|0,0,0]=2 768 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,1,0,0|0,1,0]=3 769 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|1,0,0]=3 770 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,1,0,0|0,1,0]=3 772 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|1,0,0]=3 773 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|1,0,0]=3 774 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,1,0,0|1,0,0]=3 775 B7R1.3 O=C1CSCSC1 Z1251333166 [0,1,0,1,0,0|1,1,0]=4 776 B7R1.3 O=C1NCCCN1 Z1203730774 [0,1,0,1,0,0|1,0,0]=3 777 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|0,0,0]=2 778 B7R1.3 O=C1NCNCN1 Z1255437058 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.3 O=S1CCNCC1 Z1263714072 [0,1,0,1,0,0|2,0,0]=4 781 B7R1.3 OC1CCCCC1 Z104473498 [0,1,0,1,0,0|1,0,1]=4 782 B7R1.3 OC1CCCSC1 Z993818972 [0,1,0,1,0,0|0,1,1]=4 783 B7R1.3 OC1CCNCC1 Z56347197 [0,1,0,1,0,0|1,0,1]=4 784 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|1,0,1]=4 785 B7R1.3 OC1CNCCO1 Z1428160315 [0,1,0,1,0,0|0,0,2]=4 786 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|0,0,1]=3 787 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|1,0,0]=3 789 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,1,0,0|1,0,0]=3 791 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,1,0,0|2,0,0]=4 792 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|0,0,0]=2 795 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|0,1,0]=3 796 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|1,0,0]=3 798 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|0,1,0]=3 801 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|2,0,0]=4 802 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|0,1,0]=3 804 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|2,0,0]=4 805 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,1,0,0|0,0,2]=4 808 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|1,0,1]=4 809 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|2,0,0]=4 812 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,1,0,1,0,0|1,0,1]=4 813 B7R1.10 CNC1CC(C1)O Z1318186466 [0,1,0,1,0,0|1,0,1]=4 814 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|1,0,1]=4 817 B7R1.22 CN(N=O)C1CC1 Z1934631325 [0,1,0,1,0,0|2,0,0]=4 818 B7R1.22 CNC(=N)C1CC1 Z2120060845 [0,1,0,1,0,0|2,0,0]=4 819 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,1,0,1,0,0|1,0,0]=3 820 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [0,1,0,1,0,0|1,0,0]=3 821 B7R1.22 N=C(NN)C1CC1 Z951367962 [0,1,0,1,0,0|2,0,0]=4 822 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.22 NCC(O)C1CC1 Z802856322 [0,1,0,1,0,0|1,0,1]=4 824 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,1,0,1,0,0|1,0,0]=3 826 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,1,0,1,0,0|0,0,0]=2 827 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|0,0,0]=2 828 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.25 NC1(CCC1)CO Z1203581511 [0,1,0,1,0,0|1,0,1]=4 830 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,1,0,0|1,0,1]=4 831 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,1,0,0|0,0,2]=4 832 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|1,0,0]=3 834 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|1,0,0]=3 835 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|0,0,0]=2 836 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|0,0,0]=2 837 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|1,0,0]=3 839 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|1,0,0]=3 840 B7R1.16 CC1(CC(C1)O)N Z1618150088 [0,1,0,1,0,0|1,0,1]=4 841 B7R1.16 NC1CS(=O)(=O)C1 Z1614337716 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|1,0,0]=3 843 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,1,0,1,0,0|2,0,0]=4 845 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|1,0,0]=3 846 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,1,0,1,0,0|1,1,0]=4 848 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|0,0,0]=2 849 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,1,0,1,0,0|1,0,1]=4 850 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|1,0,0]=3 854 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|0,0,0]=2 855 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|0,0,0]=2 856 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|0,0,0]=2 857 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|0,0,0]=2 858 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|2,0,0]=4 861 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,1,0,1,0,0|2,0,0]=4 862 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,1,0,1,0,0|0,0,0]=2 864 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,1,0,1,0,0|1,0,0]=3 865 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,1,0,1,0,0|0,0,0]=2 866 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,1,0,1,0,0|0,0,0]=2 867 B7R1.7 CCCCC1CO1 Z1020679810 [0,1,0,1,0,0|1,0,1]=4 868 B7R1.7 CCOCC1CO1 Z271128258 [0,1,0,1,0,0|1,0,1]=4 869 B7R1.7 COCCC1CO1 Z1495386141 [0,1,0,1,0,0|1,0,1]=4 870 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|1,0,1]=4 871 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|1,0,1]=4 872 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|1,0,1]=4 873 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,1,0,0|2,0,0]=4 874 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,1,0,0|1,0,1]=4 875 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.26 NS(=O)(=O)C1CC1 Z1233201610 [0,1,0,1,0,0|1,0,1]=4 877 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,2,0,0|1,0,1]=4 878 B7R2.1 C1CC1C2CO2 Z1020679808 [0,0,0,2,0,0|1,0,1]=4 879 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,2,0,0|1,0,1]=4