0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 CC(C)CB(O)O Z1098324138 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 CC(C)NC(=S)N Z56979374 [0,0,0,0,0,0|3,1,0]=4 14 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,0|0,0,0]=0 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|2,0,0]=2 21 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 C=CCC(C)N Z1269638561 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CC(C)CC#N Z104473272 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CC(C)NC=O Z1201617634 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CN(C)CCF Z5487577684 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|0,0,1]=2 43 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|0,1,1]=3 44 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|0,0,0]=1 46 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CNCC(C)N Z1413780485 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 CNCC(F)F Z1259341074 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 CC(C)CC(N)CO Z734151210 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.2 CC(CN)CN(C)C Z406338972 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.2 CN(C)CC(N)CO Z2092369044 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.2 CN(C)CC(O)CN Z270894906 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,1,0,0,0,0|1,1,1]=4 113 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,1,0,0,0,0|0,0,2]=3 115 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,0,0|0,0,2]=3 116 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,0,0|2,1,0]=4 118 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|1,0,0]=2 132 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|0,0,0]=1 136 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|0,0,0]=1 139 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.2 CN1C=C(C=N1)O Z1258763763 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 CN1C=CC(=N1)O Z1343577415 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.2 CN1N=NC(=N1)O Z2299388832 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.16 CN1CC(C1)(C)N Z1945700468 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|1,0,0]=2 173 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,1,0|2,0,1]=4 174 B5R0.5 CC(=N)N(C)C Z1428159819 [0,0,0,0,1,0|2,0,0]=3 175 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|2,0,0]=3 176 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,1,0|3,0,0]=4 177 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,1,0|2,0,0]=3 178 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,1,0|3,0,0]=4 179 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,1,0|2,0,0]=3 180 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,1,0|1,0,0]=2 181 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,0,0,0,1,0|2,0,1]=4 182 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,1,0|3,0,0]=4 183 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,1,0|2,0,0]=3 184 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,1,0|3,0,0]=4 185 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|2,0,0]=3 186 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|3,0,0]=4 187 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,1,0|2,0,0]=3 188 B5R0.5 CN(C)C(=N)N Z1839480548 [0,0,0,0,1,0|2,0,0]=3 189 B5R0.5 CN(C)C(=S)N Z56347524 [0,0,0,0,1,0|1,1,0]=3 190 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|2,0,0]=3 191 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,1,0|3,0,0]=4 192 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|2,0,0]=3 193 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,1,0|3,0,0]=4 194 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,1,0|3,0,0]=4 195 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,1,0|3,0,0]=4 196 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|2,0,0]=3 197 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|2,0,0]=3 198 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|3,0,0]=4 199 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,0,0,0,0,1|1,0,1]=3 200 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,0,0,0,0,1|3,0,0]=4 201 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,1|1,0,0]=2 202 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,1|2,0,0]=3 203 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,1|2,0,0]=3 204 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,1|1,0,0]=2 205 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,0,0,0,0,1|3,0,0]=4 206 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,1|1,0,0]=2 207 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,1|1,0,0]=2 208 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,1|2,0,0]=3 209 B7R0.6 CC(N)CCN(C)C Z316119490 [0,0,0,0,0,1|2,0,1]=4 210 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,1|2,0,0]=3 211 B7R0.6 CC(O)CNC(C)C Z138692704 [0,0,0,0,0,1|2,0,1]=4 212 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,0,0,0,0,1|2,0,0]=3 213 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,1|1,0,0]=2 214 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,1|0,0,0]=1 215 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,0,0,0,0,1|1,1,0]=3 216 B7R0.6 CN(C)CCN(C)C Z56755629 [0,0,0,0,0,1|3,0,0]=4 217 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,1|2,0,0]=3 218 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,1|3,0,0]=4 219 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,1|3,0,0]=4 220 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,1|3,0,0]=4 221 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,1|3,0,0]=4 222 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,1|2,0,1]=4 223 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 224 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 226 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 228 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 229 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 232 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 235 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 236 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 237 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 238 B4R0.1 CN(C)C#N Z1255394988 [2,0,0,0,0,0|1,0,1]=4 239 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|1,0,0]=3 240 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|2,0,0]=4 241 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,0]=3 242 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|1,0,0]=3 243 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 247 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|2,0,0]=4 248 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,0]=3 254 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|0,0,0]=2 255 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 257 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.2 CNCC#N Z1262250834 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|1,0,1]=4 270 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|0,0,0]=2 272 B6R0.1 CNCC(C)OC Z2065788390 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.1 CNC[C@H](O)CO Z600533638 [1,1,0,0,0,0|0,0,2]=4 274 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.3 C#CC(C)N(C)C Z4928730999 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 CC(C)N(C)C=O Z1258520821 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 CC(CN)N(C)C Z367452450 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.3 CN(C)C(=O)CO Z431952018 [1,1,0,0,0,0|0,0,2]=4 292 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|0,0,0]=2 293 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|1,0,0]=3 294 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.3 NNC(=O)C(=O)O Z3068042919 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 C=CCNC(C)C Z607822478 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.4 C=COCC(C)C Z916978390 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,0]=2 320 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.4 CN(C)CCC#N Z57980324 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 CNCCN(C)C Z138123106 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.4 COCCN(C)C Z5121096537 [1,1,0,0,0,0|0,0,1]=3 330 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.5 CC(C)(N)CCO Z1198183553 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.5 CNCC(C)(C)O Z600453550 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.5 C[N+](C)(C)CCO Z2758800560 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,1,0|2,0,0]=4 343 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,1,0,0,1,0|2,0,0]=4 344 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,1,0,0,1,0|2,0,0]=4 345 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,1,0|1,0,0]=3 346 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,1,0,0,1,0|2,0,0]=4 347 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,1,0|1,0,0]=3 348 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,1,0,0,1,0|2,0,0]=4 349 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,1,0,0,1,0|1,0,1]=4 350 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,1,0,0,1,0|1,0,1]=4 351 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,1,0,0,0,1|2,0,0]=4 352 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,1|1,0,0]=3 353 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [0,1,0,0,0,1|2,0,0]=4 354 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [0,1,0,0,0,1|2,0,0]=4 355 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,1|1,0,0]=3 356 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,1|2,0,0]=4 357 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,1|2,0,0]=4 358 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,0,0,0,1|2,0,0]=4 359 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,1|1,0,0]=3 360 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,0,0,0,1|1,0,0]=3 361 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,0,0,0,1|1,0,0]=3 362 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,0,0,0,1|0,0,0]=2 363 B8R0.9 CN(C)CCC(=O)NN Z56959747 [0,1,0,0,0,1|1,0,0]=3 364 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,1|2,0,0]=4 365 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,1|2,0,0]=4 366 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,1|2,0,0]=4 367 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,1|2,0,0]=4 368 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,1|1,0,0]=3 369 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,0,0,0,1|1,0,0]=3 370 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,1|2,0,0]=4 371 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,1|2,0,0]=4 372 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,0,0,0,1|2,0,0]=4 373 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,1|1,0,1]=4 374 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,0,1|2,0,0]=4 375 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,0,1|1,0,0]=3 376 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|2,0,0]=4 377 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,1|2,0,0]=4 378 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,1|2,0,0]=4 379 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,1|2,0,0]=4 380 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|1,0,0]=3 381 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|1,0,0]=3 382 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,0,0,0,1|1,0,0]=3 383 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,1|1,0,0]=3 384 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,1|1,0,0]=3 385 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,1|1,0,0]=3 386 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,1|1,0,0]=3 387 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|1,0,0]=3 388 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,0,0,0,1|1,0,0]=3 389 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,0,0,0,1|1,0,0]=3 390 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|0,0,0]=2 391 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,1|0,0,0]=2 392 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,1|2,0,0]=4 393 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,1|2,0,0]=4 394 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|0,0,0]=2 395 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,1|0,0,0]=2 396 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,1,0,0,0,1|2,0,0]=4 397 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [0,1,0,0,0,1|1,0,1]=4 398 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,1,0,0,0,1|1,0,0]=3 399 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,1,0,0,0,1|2,0,0]=4 400 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,1,0,0,0,1|2,0,0]=4 401 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,1,0,0,0,1|1,0,0]=3 402 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,1,0,0,0,1|1,0,0]=3 403 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [0,1,0,0,0,1|1,0,1]=4 404 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,1,0,0,0,1|1,0,0]=3 405 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,1,0,0,0,1|2,0,0]=4 406 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [0,1,0,0,0,1|1,0,1]=4 407 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,1,0,0,0,1|1,0,1]=4 408 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,1,0,0,0,1|2,0,0]=4 409 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,0,1|2,0,0]=4 410 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.2 CC(CO)C(C)N(C)C Z1705861637 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|1,0,0]=3 419 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|1,0,0]=3 423 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.5 CC(C)CC(=O)CC#N Z360167452 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|0,0,0]=2 440 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.5 CNCC(O)CN(C)C Z330820128 [0,2,0,0,0,0|1,0,1]=4 444 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,2,0,0,0,0|0,0,0]=2 451 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,2,0,0,0,0|1,0,0]=3 457 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,2,0,0,0,0|1,0,0]=3 459 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.34 CN(C)CC(C)(O)CN Z1250164252 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.34 CN(C)CC(F)(F)CO Z3602579190 [0,2,0,0,0,0|1,0,1]=4 466 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|1,0,0]=3 468 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|1,0,1]=4 472 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|1,0,0]=3 473 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|1,0,0]=3 477 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|0,1,0]=3 482 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|1,0,0]=3 483 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|0,0,0]=2 485 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|1,0,0]=3 488 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,2,0,0,0,0|1,0,1]=4 489 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|0,0,0]=2 492 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 495 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,0]=3 497 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|2,0,0]=4 501 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|1,0,1]=4 502 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|1,0,1]=4 503 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|1,0,0]=3 504 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|1,0,1]=4 505 B6R1.5 CN1CC(C1)N Z1741969265 [1,0,0,1,0,0|1,0,1]=4 506 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|1,0,0]=3 507 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|1,0,1]=4 508 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|1,0,0]=3 509 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|1,0,0]=3 510 B6R1.8 O=CC1CC1Cl Z1262480603 [1,0,0,1,0,0|2,0,0]=4 511 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [1,0,0,1,0,0|2,0,0]=4 512 B6R1.11 CC(C)C1CO1 Z1020679856 [1,0,0,1,0,0|1,0,1]=4 513 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,1,0,1|2,0,0]=4 514 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,1,0,1|2,0,0]=4 515 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,0,0,1,0,1|2,0,0]=4 516 B8R1.3 CN1CN=C(NC1)S Z57980315 [0,0,0,1,0,1|1,1,0]=4 517 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,1|2,0,0]=4 518 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,0,0,1,0,1|2,0,0]=4 519 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,1|1,0,0]=3 520 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,1|0,0,0]=2 521 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,1|2,0,0]=4 522 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,1|2,0,0]=4 523 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,0,0,1,0,1|2,0,0]=4 524 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,0,1,0,1|2,0,0]=4 525 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,0,0,1,0,1|2,0,0]=4 526 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,0,0,1,0,1|1,0,1]=4 527 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,0,1,0,1|1,0,0]=3 528 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,0,0,1,0,1|2,0,0]=4 529 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,1|1,0,0]=3 530 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,0,0,1,0,1|1,0,0]=3 531 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,1|1,0,0]=3 532 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.1 CN1CCC(C1)CO Z976730728 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|0,0,0]=2 561 B8R1.40 CCN(C)CC1CO1 Z409025020 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.83 CC1CC1C(=O)NN Z58981971 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,0]=3 588 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|2,0,0]=4 589 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,2|1,0,0]=3 590 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,2|2,0,0]=4 591 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,2|2,0,0]=4 592 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,2|2,0,0]=4 593 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,2|1,0,0]=3 594 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,0,0,0,0,2|2,0,0]=4 595 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,0,0,0,0,2|2,0,0]=4 596 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,0,0,0,2|1,0,0]=3 597 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,0,0,0,2|1,0,0]=3 598 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,2|1,0,0]=3 599 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,2|1,0,0]=3 600 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,2|2,0,0]=4 601 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,0,0,0,2|2,0,0]=4 602 B8R0.28 CC(O)CCCN(C)C Z902046982 [0,0,0,0,0,2|1,0,1]=4