0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CC(C)CB(O)O Z1098324138 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,0|0,0,0]=0 11 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CC(C)NC(=S)N Z56979374 [0,0,0,0,0,0|2,1,0]=3 14 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,2]=3 28 B5R0.1 C#CCC(C)N Z3490223481 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 C#CCC(C)O Z969111576 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C=CCC(C)N Z1269638561 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CC(C)CC#N Z104473272 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|0,0,1]=2 37 B5R0.1 CC(C)N=C=S Z56964589 [1,0,0,0,0,0|1,1,1]=4 38 B5R0.1 CC(C)NC=O Z1201617634 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 CC(N)CC#N Z1267773800 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.1 CC(O)CC#N Z847151284 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,0]=1 47 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CN(C)CCF Z5487577684 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|1,1,1]=4 55 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CNCC(C)N Z1413780485 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,0]=2 83 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|1,0,1]=3 85 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.2 CC(C)CC(C)C#N Z415654744 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.2 CC(C)CC(N)CN Z425861052 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.2 CC(C)CC(N)CO Z734151210 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,1,0,0,0,0|2,1,0]=4 95 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|0,0,0]=1 97 B7R0.2 CC(CN)CC(F)F Z2379696713 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.2 CC(CN)CN(C)C Z406338972 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.2 CC(CO)CC(F)F Z2285508033 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,1,0,0,0,0|1,0,1]=3 101 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|0,0,2]=3 102 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,1,0,0,0,0|2,1,0]=4 107 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.2 CN(C)CC(N)CO Z2092369044 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.2 CN(C)CC(O)CN Z270894906 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,0|0,0,0]=1 125 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,0|0,0,0]=1 127 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,1,0,0,0,0|2,1,0]=4 128 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,0|0,0,0]=1 131 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,0|0,0,0]=1 133 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,1,0,0,0,0|1,0,1]=3 147 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,0,0|1,0,1]=3 148 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|0,0,2]=3 152 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|0,0,0]=1 157 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|0,0,0]=1 158 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|0,0,0]=1 159 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|0,0,0]=1 161 B7R0.16 CC(C)C(O)C(C)N Z975823338 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|0,0,0]=1 163 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|0,0,0]=1 166 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|0,0,0]=1 167 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,0]=2 172 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|2,0,1]=4 176 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.2 CC1CC(CN1)O Z1201051000 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.2 CC1CC(CO1)N Z2418414350 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,1,0,0|1,0,1]=3 184 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.2 CC1CNC(C1)C Z1250222491 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|0,0,0]=1 201 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|0,0,0]=1 202 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.16 CC1(CC(C1)O)N Z1618150088 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.16 CC1CC(C1)(C)N Z3034505681 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.16 CC1CC(N1)(C)C Z803145478 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.16 NC1CS(=O)(=O)C1 Z1614337716 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,0,0,1,0,0|1,0,1]=3 211 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,0,0,1,0,0|2,1,0]=4 215 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|0,0,0]=1 216 B7R1.32 CC1(CC1(C)N)C Z2528325599 [0,0,0,1,0,0|2,0,1]=4 217 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,1,0|1,0,2]=4 218 B5R0.5 CC(=N)N(C)C Z1428159819 [0,0,0,0,1,0|3,0,0]=4 219 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|1,0,1]=3 220 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,1,0|2,0,0]=3 221 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,1,0|1,0,0]=2 222 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,1,0|2,0,0]=3 223 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,1,0|1,0,0]=2 224 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,1,0|0,0,0]=1 225 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,0,0,0,1,0|1,0,1]=3 226 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,1,0|2,0,0]=3 227 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,1,0|1,0,0]=2 228 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,1,0|2,0,0]=3 229 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|1,0,0]=2 230 B5R0.5 CC(O)C(=N)N Z2216711526 [0,0,0,0,1,0|3,0,0]=4 231 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|2,0,0]=3 232 B5R0.5 CC(O)C(C)O Z104473532 [0,0,0,0,1,0|2,0,1]=4 233 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,1,0|1,0,0]=2 234 B5R0.5 CN(C)C(=N)N Z1839480548 [0,0,0,0,1,0|3,0,0]=4 235 B5R0.5 CN(C)C(=S)N Z56347524 [0,0,0,0,1,0|2,1,0]=4 236 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|1,0,0]=2 237 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,1,0|2,0,0]=3 238 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|1,0,0]=2 239 B5R0.5 NC(=O)C(F)F Z33546481 [0,0,0,0,1,0|3,0,0]=4 240 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,1,0|2,0,1]=4 241 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,1,0|2,0,0]=3 242 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,1,0|2,0,0]=3 243 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|1,0,1]=3 244 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|1,0,1]=3 245 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|2,0,0]=3 246 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,0,0,0,0,1|0,0,1]=2 247 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,0,0,0,0,1|2,0,0]=3 248 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,1|0,0,0]=1 249 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,1|1,0,0]=2 250 B7R0.6 CC(C)CNC(C)C Z361996484 [0,0,0,0,0,1|2,0,1]=4 251 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,1|1,0,0]=2 252 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,1|0,0,0]=1 253 B7R0.6 CC(C)NCC(F)F Z1442017493 [0,0,0,0,0,1|2,0,1]=4 254 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,0,0,0,0,1|2,0,0]=3 255 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,1|0,0,0]=1 256 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,1|0,0,0]=1 257 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,1|1,0,0]=2 258 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,0,0,0,0,1|3,0,0]=4 259 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,1|1,0,0]=2 260 B7R0.6 CC(O)CNC(C)C Z138692704 [0,0,0,0,0,1|1,0,1]=3 261 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,0,0,0,0,1|3,0,0]=4 262 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,1|2,0,0]=3 263 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,1|1,0,0]=2 264 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,0,0,0,0,1|2,1,0]=4 265 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,1|2,0,0]=3 266 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,1|2,0,1]=4 267 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,1|2,0,1]=4 268 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,1|2,0,1]=4 269 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,1|2,0,1]=4 270 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,1|3,0,0]=4 271 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 272 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 273 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|1,0,0]=3 277 B4R0.1 CC(F)CN Z2941405027 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,0]=3 282 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 285 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 286 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|1,0,0]=3 294 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,0]=3 295 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|2,0,0]=4 297 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 305 B4R0.1 OCC(F)F Z397587054 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,1]=3 309 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 310 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,1]=4 312 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 315 B6R0.1 C=CCC(N)CC Z1981870426 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.1 C=CCC(N)CO Z1815149150 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.1 C=CCC(O)CC Z808662120 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|0,0,1]=3 319 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.1 CCC(C)CNC Z1266854907 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,0]=2 326 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.1 CNC(C)CC#N Z666295372 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|0,0,1]=3 339 B6R0.1 CNC(C)COC Z815264298 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.1 CNC(C)CSC Z995116552 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.1 CNCC(C)OC Z2065788390 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.1 COC(C)CC#N Z847151020 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|0,0,1]=3 349 B6R0.1 CSCC(C)CN Z732208434 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.3 C#CC(N)C(C)C Z1982493902 [1,1,0,0,0,0|1,0,1]=4 352 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|0,0,2]=4 354 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.3 CC(C)C(C)C#N Z415654752 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.3 CC(C)C(C)CN Z415654990 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.3 CC(C)C(N)C#N Z1266854874 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.3 CC(C)C(N)CN Z1266933925 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.3 CC(C)C(O)C#N Z802900598 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.3 CC(C)C(O)CN Z1255523288 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.3 CC(C)N(C)C=O Z1258520821 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,1,0,0,0,0|0,0,1]=3 365 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.3 CC(N)C(C)CO Z1203581847 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|0,0,0]=2 371 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|0,0,0]=2 372 B6R0.3 CCC(N)C(C)C Z823287438 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,0]=3 374 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|0,0,0]=2 375 B6R0.3 CCC(O)C(C)C Z445987082 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.3 CCC(O)C(C)O Z1251352132 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|0,0,0]=2 378 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|0,0,0]=2 379 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|0,0,0]=2 380 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.3 CNC(C)C(C)C Z139701846 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|1,0,0]=3 387 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|1,0,0]=3 388 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|1,0,0]=3 390 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 391 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|1,0,0]=3 393 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,1,0,0,0,0|1,0,1]=4 396 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|0,0,1]=3 397 B6R0.4 C#CCNC(C)C Z2855995857 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,1]=3 400 B6R0.4 C=CCCC(C)N Z3681295487 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.4 C=CCNC(C)C Z607822478 [1,1,0,0,0,0|1,0,0]=3 402 B6R0.4 C=COCC(C)C Z916978390 [1,1,0,0,0,0|1,0,0]=3 403 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|1,0,1]=4 407 B6R0.4 CC(C)CN=C=S Z87001659 [1,1,0,0,0,0|0,1,1]=4 408 B6R0.4 CC(C)NCC#N Z224190250 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|0,0,1]=3 411 B6R0.4 CC(C)OCC#N Z295206482 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|0,0,1]=3 414 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,1]=3 418 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|0,0,1]=3 419 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,0]=3 422 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,0]=2 423 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,1,0]=4 425 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,0]=3 426 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,0]=2 428 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|0,0,0]=2 431 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.4 CNCCC(C)C Z607822512 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,0]=3 436 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,0]=3 437 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,0]=2 438 B6R0.4 COCCC(C)N Z361881180 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.4 COCCN(C)C Z5121096537 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,0,2]=4 442 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,0]=2 444 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,0]=2 450 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,2]=4 454 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,2]=4 455 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,0]=2 456 B6R0.5 C#CCC(C)(C)N Z3210767531 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.5 C#CCC(C)(C)O Z1098923701 [1,1,0,0,0,0|1,0,1]=4 458 B6R0.5 CC(C)(F)CCN Z2515207542 [1,1,0,0,0,0|1,0,1]=4 459 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.5 CC(C)(N)CCF Z4297373689 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.5 CC(C)(N)CCN Z2218555716 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.5 CC(C)(N)CCO Z1198183553 [1,1,0,0,0,0|0,0,1]=3 463 B6R0.5 CC(C)(O)CC#N Z1182322175 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.5 CCCC(C)(C)N Z1262250787 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|1,0,1]=4 466 B6R0.5 CNCC(C)(C)C Z992717054 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.5 CNCC(C)(C)O Z600453550 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.5 COCC(C)(C)N Z1258578421 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.5 C[N+](C)(C)CCO Z2758800560 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|2,0,0]=4 471 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,1,0|1,0,0]=3 472 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,1,0,0,1,0|1,0,0]=3 473 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,1,0,0,1,0|2,0,0]=4 474 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,1,0,0,1,0|1,0,0]=3 475 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,1,0,0,1,0|1,1,0]=4 476 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,1,0|0,0,0]=2 477 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,1,0,0,1,0|1,0,0]=3 478 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,1,0|0,0,0]=2 479 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,1,0,0,1,0|2,0,0]=4 480 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,1,0,0,1,0|1,0,1]=4 481 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,1,0,0,1,0|1,0,0]=3 482 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,1,0,0,1,0|1,0,1]=4 483 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,1,0,0,1,0|2,0,0]=4 484 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,1,0,0,1,0|2,0,0]=4 485 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,1,0,0,1,0|2,0,0]=4 486 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,1,0,0,1,0|2,0,0]=4 487 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,1,0,0,0,1|1,0,1]=4 488 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,1,0,0,0,1|1,0,0]=3 489 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,1|0,0,0]=2 490 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,1,0,0,0,1|1,0,1]=4 491 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,1,0,0,0,1|0,0,2]=4 492 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [0,1,0,0,0,1|1,0,0]=3 493 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [0,1,0,0,0,1|1,0,0]=3 494 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,1,0,0,0,1|1,0,1]=4 495 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,1,0,0,0,1|0,0,2]=4 496 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,1|0,0,0]=2 497 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,1,0,0,0,1|1,0,1]=4 498 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,1|1,0,1]=4 499 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,1|1,0,1]=4 500 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,0,0,0,1|1,0,0]=3 501 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,1|0,0,0]=2 502 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,0,0,0,1|0,0,0]=2 503 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,0,0,0,1|0,0,0]=2 504 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,1,0,0,0,1|1,0,1]=4 505 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,0,0,0,1|1,0,0]=3 506 B8R0.9 CN(C)CCC(=O)NN Z56959747 [0,1,0,0,0,1|2,0,0]=4 507 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,1|1,0,1]=4 508 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,1|1,0,1]=4 509 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,1|1,0,1]=4 510 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,1|1,0,1]=4 511 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,1|0,0,0]=2 512 B8R0.9 COC(C)CNC(C)C Z991381618 [0,1,0,0,0,1|1,0,1]=4 513 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,0,0,0,1|0,0,0]=2 514 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,1|1,0,1]=4 515 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,1|1,0,1]=4 516 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,0,0,0,1|1,0,0]=3 517 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,1|0,0,2]=4 518 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,0,1|1,0,0]=3 519 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,0,1|2,0,0]=4 520 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|1,0,1]=4 521 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,1|1,0,1]=4 522 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,1|1,0,1]=4 523 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,1|1,0,1]=4 524 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|0,0,0]=2 525 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|0,0,0]=2 526 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,0,0,0,1|0,0,0]=2 527 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,1|0,0,0]=2 528 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,1|0,0,0]=2 529 B8R0.23 CC(C)CN(C)C(=N)N Z2526714360 [0,1,0,0,0,1|2,0,0]=4 530 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,1|0,0,0]=2 531 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,1|0,0,0]=2 532 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|0,0,0]=2 533 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,0,0,0,1|0,0,0]=2 534 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,0,0,0,1|0,0,0]=2 535 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|1,0,0]=3 536 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,0,0,0,1|2,0,0]=4 537 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,1|1,0,0]=3 538 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,1|2,0,0]=4 539 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,1|1,0,0]=3 540 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,1|2,0,0]=4 541 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|1,0,0]=3 542 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,1|1,0,0]=3 543 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,0,0,0,1|2,0,0]=4 544 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,1,0,0,0,1|1,0,0]=3 545 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [0,1,0,0,0,1|0,0,1]=3 546 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,1,0,0,0,1|2,0,0]=4 547 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,1,0,0,0,1|0,0,0]=2 548 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,1,0,0,0,1|1,0,0]=3 549 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,1,0,0,0,1|1,0,0]=3 550 B8R0.29 CC(C)(C)OCC(=N)N Z1718361941 [0,1,0,0,0,1|2,0,0]=4 551 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,1,0,0,0,1|0,0,0]=2 552 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,1,0,0,0,1|0,0,0]=2 553 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [0,1,0,0,0,1|0,0,1]=3 554 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,1,0,0,0,1|0,0,0]=2 555 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,1,0,0,0,1|1,0,0]=3 556 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [0,1,0,0,0,1|0,0,1]=3 557 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,1,0,0,0,1|0,0,1]=3 558 B8R0.29 CC(C)CCS(=O)(=O)N Z734461454 [0,1,0,0,0,1|1,0,1]=4 559 B8R0.29 CC(C)NCC(C)(C)O Z600453554 [0,1,0,0,0,1|1,0,1]=4 560 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,1,0,0,0,1|1,0,0]=3 561 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,0,1|2,0,0]=4 562 B8R0.29 O=C(O)CSC(F)(F)F Z57932525 [0,1,0,0,0,1|2,0,0]=4 563 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,2,0,0,0,0|0,0,1]=3 564 B8R0.2 CC(C)N(C)C(=O)CCl Z147647322 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,2,0,0,0,0|0,0,0]=2 566 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,2,0,0,0,0|0,0,2]=4 567 B8R0.2 CCC(=O)N(C)C(C)C Z280750384 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,2,0,0,0,0|0,0,1]=3 569 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|0,0,0]=2 570 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,2,0,0,0,0|1,0,0]=3 571 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|0,0,0]=2 572 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|0,0,0]=2 573 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|0,0,0]=2 574 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|0,0,0]=2 576 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|0,0,0]=2 577 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,2,0,0,0,0|1,0,0]=3 578 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,2,0,0,0,0|1,0,1]=4 581 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,2,0,0,0,0|0,0,0]=2 582 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,2,0,0,0,0|1,0,0]=3 583 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [0,2,0,0,0,0|1,0,0]=3 584 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|0,0,0]=2 585 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,2,0,0,0,0|0,0,0]=2 586 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,2,0,0,0,0|0,0,0]=2 587 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.5 CC(C)CC(=O)CC#N Z360167452 [0,2,0,0,0,0|1,0,0]=3 589 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,2,0,0,0,0|1,0,1]=4 590 B8R0.5 CC(C)NC(=O)CC#N Z56838570 [0,2,0,0,0,0|2,0,0]=4 591 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,2,0,0,0,0|2,0,0]=4 593 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|0,0,0]=2 595 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|0,0,2]=4 596 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|0,0,0]=2 597 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|0,0,0]=2 601 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,2,0,0,0,0|1,0,0]=3 602 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|1,0,1]=4 603 B8R0.5 CNCC(=O)NC(C)C Z46191420 [0,2,0,0,0,0|2,0,0]=4 604 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,2,0,0,0,0|0,0,2]=4 605 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|0,0,0]=2 607 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [0,2,0,0,0,0|2,0,0]=4 609 B8R0.16 CC(C)CC(CN)CO Z1945704754 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,2,0,0,0,0|0,0,2]=4 611 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|0,0,0]=2 612 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|0,0,0]=2 613 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|0,0,0]=2 615 B8R0.16 COC(CN)CC(C)C Z1270207720 [0,2,0,0,0,0|1,0,1]=4 616 B8R0.16 COC(CO)CC(C)C Z2050575509 [0,2,0,0,0,0|0,0,2]=4 617 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,2,0,0,0,0|1,0,1]=4 618 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,2,0,0,0,0|1,0,1]=4 619 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|0,0,0]=2 621 B8R0.24 C=CC(=O)NC(C)(C)C Z440633548 [0,2,0,0,0,0|2,0,0]=4 622 B8R0.24 CC(C)(C)CC(N)CO Z1041195604 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.24 CC(C)(C)CC(O)CN Z1041195378 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.24 CC(C)(C)NC(=O)CCl Z56853749 [0,2,0,0,0,0|2,0,0]=4 625 B8R0.24 CC(C)(C)NC(=O)CN Z94601176 [0,2,0,0,0,0|2,0,0]=4 626 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [0,2,0,0,0,0|1,0,0]=3 627 B8R0.24 CC(C)(C)OC(=O)CCl Z56915921 [0,2,0,0,0,0|2,0,0]=4 628 B8R0.24 CC(C)(C)OC(=O)CN Z1268152400 [0,2,0,0,0,0|2,0,0]=4 629 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,2,0,0,0,0|1,0,0]=3 630 B8R0.24 CC(CO)CC(C)(C)N Z1270446291 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.24 CCC(C)CC(C)(C)O Z1258798904 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.24 CCC(C)CS(=O)(=O)N Z954606746 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.24 CNC(C)CS(=O)(=O)C Z991513554 [0,2,0,0,0,0|1,0,1]=4 636 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,2,0,0,0,0|0,0,0]=2 637 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,2,0,0,0,0|0,0,0]=2 638 B8R0.24 COC(C)CS(=O)(=O)N Z1646055840 [0,2,0,0,0,0|1,0,1]=4 639 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.34 C#CC(C)(C)NC(=O)C Z1187696572 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.34 C#CC(C)(C)OC(=O)N Z57157184 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,2,0,0,0,0|0,0,0]=2 643 B8R0.34 CC(=O)NC(C)(C)C#N Z212046252 [0,2,0,0,0,0|2,0,0]=4 644 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,2,0,0,0,0|0,0,0]=2 646 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|0,0,0]=2 647 B8R0.34 CC(C)(CO)CC(=N)N Z4074619777 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.34 CC(C)CC(C)(N)CO Z734150960 [0,2,0,0,0,0|1,0,1]=4 649 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|0,0,0]=2 650 B8R0.34 CC(O)CC(C)(C)CN Z1259162049 [0,2,0,0,0,0|1,0,1]=4 651 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|0,0,0]=2 652 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,2,0,0,0,0|2,0,0]=4 654 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|0,0,0]=2 656 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|0,0,0]=2 657 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|1,0,0]=3 658 B8R0.27 CC(C(=O)O)C(F)(F)F Z1205494054 [0,2,0,0,0,0|2,0,0]=4 659 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|0,0,1]=3 661 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|0,0,0]=2 662 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|0,0,0]=2 663 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|1,0,0]=3 664 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|0,0,0]=2 665 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|0,0,0]=2 666 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|0,0,0]=2 667 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|0,0,0]=2 668 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|0,0,0]=2 669 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|0,0,0]=2 670 B8R0.27 CC(O)C(O)P(=O)(O)O Z2050515563 [0,2,0,0,0,0|2,0,0]=4 671 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|1,0,0]=3 672 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,2,0,0,0,0|2,0,0]=4 673 B8R0.27 O=C(O)C(O)C(F)(F)F Z3225872563 [0,2,0,0,0,0|2,0,0]=4 674 B8R0.33 CC(C)(C)CS(=O)(=O)N Z954606228 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.33 CC(C)(N)CS(=O)(=O)C Z1262643909 [0,2,0,0,0,0|1,0,1]=4 676 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|0,0,0]=2 677 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|0,0,0]=2 678 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|1,0,0]=3 679 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|0,0,0]=2 680 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|0,0,0]=2 682 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|0,0,0]=2 683 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,2,0,0,0,0|0,0,1]=3 684 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,2,0,0,0,0|2,0,0]=4 685 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|1,0,0]=3 686 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|1,0,0]=3 687 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|1,0,0]=3 688 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,1]=4 689 B6R1.2 CC1CNNC1 Z4953319766 [1,0,0,1,0,0|2,0,0]=4 690 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 691 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 692 B6R1.2 NC1CC=CC1 Z1416200863 [1,0,0,1,0,0|2,0,0]=4 693 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|1,0,1]=4 694 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 695 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 696 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 697 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 698 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 699 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 700 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,0]=3 701 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 702 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 703 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 704 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,1]=4 705 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|1,0,1]=4 706 B6R1.3 O=C=NC1CC1 Z316172632 [1,0,0,1,0,0|1,0,1]=4 707 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|0,0,0]=2 708 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|0,0,1]=3 709 B6R1.5 CC1CC(C1)N Z1357823942 [1,0,0,1,0,0|1,0,1]=4 710 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [1,0,0,1,0,0|1,0,1]=4 711 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [1,0,0,1,0,0|1,0,1]=4 712 B6R1.8 CC1CC1C#N Z1079178904 [1,0,0,1,0,0|1,0,1]=4 713 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|0,0,0]=2 714 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|1,0,1]=4 715 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|0,0,1]=3 716 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|0,0,0]=2 717 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|0,0,0]=2 718 B6R1.8 O=CC1CC1Cl Z1262480603 [1,0,0,1,0,0|1,0,0]=3 719 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [1,0,0,1,0,0|1,0,0]=3 720 B6R1.9 CC1(CC1N)C Z1259335876 [1,0,0,1,0,0|1,0,1]=4 721 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|1,0,1]=4 722 B6R1.10 CC1(CCN1)C Z1198749898 [1,0,0,1,0,0|1,0,1]=4 723 B6R1.10 CC1(CNC1)C Z2142036999 [1,0,0,1,0,0|2,0,0]=4 724 B6R1.11 CC(C)C1CO1 Z1020679856 [1,0,0,1,0,0|0,0,1]=3 725 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 726 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|1,0,1]=4 727 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,1,0,1|1,0,0]=3 728 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,1,0,1|1,0,0]=3 729 B8R1.3 CC1CCC(CC1)O Z104476106 [0,0,0,1,0,1|1,0,1]=4 730 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,0,0,1,0,1|1,0,1]=4 731 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,0,0,1,0,1|1,0,1]=4 732 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,0,0,1,0,1|2,0,0]=4 733 B8R1.3 CC1COC(CN1)C Z327218388 [0,0,0,1,0,1|1,0,1]=4 734 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,0,0,1,0,1|1,0,1]=4 735 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,0,0,1,0,1|1,0,1]=4 736 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,0,0,1,0,1|2,0,0]=4 737 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,0,0,1,0,1|2,0,0]=4 738 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,0,0,1,0,1|2,0,0]=4 739 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,1|1,0,1]=4 740 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,0,0,1,0,1|2,0,0]=4 741 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,0,0,1,0,1|2,0,0]=4 742 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,0,0,1,0,1|1,0,0]=3 743 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,1|0,0,0]=2 744 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,1|1,0,0]=3 745 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,0,0,1,0,1|2,0,0]=4 746 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,0,0,1,0,1|2,0,0]=4 747 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,1|1,0,0]=3 748 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,0,0,1,0,1|1,0,1]=4 749 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,1|1,0,1]=4 750 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,0,0,1,0,1|1,0,0]=3 751 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,0,0,1,0,1|1,0,1]=4 752 B8R1.35 CC(C)OCC1CO1 Z147642824 [0,0,0,1,0,1|1,0,1]=4 753 B8R1.35 CC(C)OC[C@@H]1CO1 Z1993604786 [0,0,0,1,0,1|1,0,1]=4 754 B8R1.35 CC(C)OC[C@H]1CO1 Z1993604787 [0,0,0,1,0,1|1,0,1]=4 755 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,0,1,0,1|1,0,0]=3 756 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,0,0,1,0,1|1,0,0]=3 757 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,0,0,1,0,1|0,0,1]=3 758 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,0,1,0,1|0,0,0]=2 759 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [0,0,0,1,0,1|1,0,1]=4 760 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,0,0,1,0,1|1,0,0]=3 761 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,1|0,0,0]=2 762 B8R1.51 CC1(CN=C(N1)N)C Z1262644333 [0,0,0,1,0,1|2,0,0]=4 763 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,0,0,1,0,1|0,0,0]=2 764 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [0,0,0,1,0,1|2,0,0]=4 765 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [0,0,0,1,0,1|1,0,1]=4 766 B8R1.77 CC1(CC1C(=N)N)C Z1203638454 [0,0,0,1,0,1|2,0,0]=4 767 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,1|0,0,0]=2 768 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,0,0,1,0,1|2,0,0]=4 769 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,0,0,1,0,1|2,0,0]=4 770 B8R1.1 CC1CC(=NO1)C=O Z2732442537 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,1,0,1,0,0|1,0,1]=4 772 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|0,0,0]=2 780 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|0,0,2]=4 784 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,1,0,0|1,0,1]=4 797 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|2,0,0]=4 799 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,1,0,0|1,0,1]=4 800 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,1,0,0|1,0,1]=4 802 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.18 CC1CC(=NN1C)N Z1623872195 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,0,1]=4 805 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.29 CC1(C[C@H]([C@H]1O)N)C Z3486644250 [0,1,0,1,0,0|1,0,1]=4 812 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,0]=3 813 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,1,0,1,0,0|0,0,2]=4 820 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|0,0,0]=2 821 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.40 C=CC(=O)NC1CC1 Z276666586 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|0,0,0]=2 824 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.40 NC(CO)CC1CC1 Z1198179456 [0,1,0,1,0,0|1,0,1]=4 826 B8R1.40 NCC(=O)NC1CC1 Z94599161 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.40 NCC(O)CC1CC1 Z2310701824 [0,1,0,1,0,0|1,0,1]=4 828 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.40 O=C(CCl)NC1CC1 Z56867231 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,1,0,1,0,0|1,0,0]=3 831 B8R1.42 CC1(CC1)CC(=N)N Z3804798505 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.43 CC(=O)C1CC1C#N Z1514030424 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|0,0,0]=2 834 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,1,0,1,0,0|0,0,1]=3 835 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,1,0,1,0,0|0,0,1]=3 836 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|0,0,0]=2 837 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|0,0,1]=3 838 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|0,0,1]=3 839 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|0,0,1]=3 840 B8R1.53 CC1(CC(C1)C=O)C Z1511834993 [0,1,0,1,0,0|1,0,1]=4 841 B8R1.53 CC1(CC(C1)CO)C Z1255460358 [0,1,0,1,0,0|1,0,1]=4 842 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.62 CC1CC(C1)(C)C=O Z1813377235 [0,1,0,1,0,0|1,0,1]=4 845 B8R1.65 CC1(CC1(C)C=O)C Z1511852399 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|0,0,0]=2 847 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.83 CC1CC1C(=O)NN Z58981971 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.21 CC1CC1S(=O)(=O)N Z2418729163 [0,1,0,1,0,0|1,0,1]=4 851 B8R1.56 CC(C)(O)CC1CO1 Z1504674674 [0,1,0,1,0,0|1,0,1]=4 852 B8R1.56 NS(=O)(=O)CC1CC1 Z734461550 [0,1,0,1,0,0|1,0,1]=4 853 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|0,0,0]=2 854 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|0,0,2]=4 855 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|0,0,0]=2 858 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 859 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|0,0,0]=2 860 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|0,0,0]=2 863 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|0,0,0]=2 864 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,0]=3 865 B8R2.53 CC1CC2(C1)CO2 Z1847083841 [0,0,0,2,0,0|1,0,1]=4 866 B8R2.24 C1CC1C[C@@H]2CO2 Z3271410540 [0,0,0,2,0,0|1,0,1]=4 867 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,2|0,0,1]=3 868 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,2|1,0,1]=4 869 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,2|1,0,1]=4 870 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,2|1,0,1]=4 871 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,2|0,0,0]=2 872 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [0,0,0,0,0,2|2,0,0]=4 873 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,0,0,0,0,2|1,0,0]=3 874 B8R0.28 CC(C)CCNC(=S)N Z56930716 [0,0,0,0,0,2|1,1,0]=4 875 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,0,0,0,0,2|1,0,0]=3 876 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,0,0,0,2|0,0,0]=2 877 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,0,0,0,2|0,0,0]=2 878 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,2|0,0,0]=2 879 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,2|0,0,0]=2 880 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,2|1,0,0]=3 881 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,0,0,0,2|1,0,0]=3 882 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,0,0,0,2|1,0,1]=4 883 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,0,0,0,0,2|1,0,1]=4