0 B6R0.4 C#CCCC(=O)O Z295890062 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 C#CCCC(C)O Z854048672 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCNC(=O)C Z220957448 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C#CCNC(=O)N Z198194920 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C#CCOC(=O)N Z1203578973 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 C=CCCC(=O)C Z406376894 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 C=CCCC(=O)O Z995028722 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.4 C=CCNC(=O)C Z32064466 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 C=CCNC(=O)N Z56904662 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CC(=O)CCC#N Z1251352415 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.4 CC(=O)NCCCl Z57983106 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 CC(=O)OCCN Z1973465551 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.4 CC(C)CCCN Z992716898 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 CC(C)NCCO Z137800940 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.4 CC(C)OCCO Z104478444 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.4 CC(N)CCCN Z2230911100 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.4 CC(N)CCCO Z1203578676 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.4 CC(O)CCCN Z1198178891 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.4 CCC#CC(=O)O Z1205493735 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.4 CCCCB(O)O Z1147227739 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 CCCCC(=N)N Z1723418909 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 CCCCC(=O)N Z104476278 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.4 CCCCC(=O)O Z104473312 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.4 CCCCC(C)N Z3300506318 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.4 CCCNC(=O)C Z33030314 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.4 CCCNC(=S)N Z56930715 [0,0,0,0,0,0|3,1,0]=4 27 B6R0.4 CCCOC(=O)N Z1198148877 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.4 CCNCC(=O)N Z1459435506 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.4 CCNCC(=O)O Z744593094 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.4 CCNCC(C)O Z138692768 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.4 CCOCC(=O)O Z104495232 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.4 CNCCC(=O)C Z1536943318 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 CNCCC(C)O Z1203731868 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.4 COCCC(=N)N Z1592042674 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.4 COCCC(=O)C Z362119682 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.4 COCCC(=O)N Z394696458 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.4 COCCC(=O)O Z285184634 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.4 COCCC(C)O Z818738042 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.4 CSCCC(=N)N Z1266823407 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.4 CSCCC(=O)O Z54719251 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.4 N#CCCC(=N)N Z3771050569 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.4 N#CCCC(=O)N Z57160408 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.4 N#CCNC(=O)N Z600498544 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.4 N=C(N)NCCN Z2235813444 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.4 N=C(N)NCCO Z911465228 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.4 N=C(N)SCCO Z57111959 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.4 NC(=O)CCCO Z1203578394 [0,0,0,0,0,0|1,0,0]=1 49 B6R0.4 NC(=O)NCCF Z1203582184 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 NC(=O)OCCO Z1198158440 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.4 NCCCC(=O)N Z398513418 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.4 NCCCC(=O)O Z104475620 [0,0,0,0,0,0|1,0,0]=1 53 B6R0.4 NCCCC(F)F Z1198165810 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.4 NCCCS(=O)O Z1203579399 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.4 NCCNC(=O)N Z1268152381 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.4 NCCOC(=O)N Z1587257433 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,0,0,0,0,0|0,0,2]=2 58 B6R0.4 O=C(O)C#CCO Z1198169479 [0,0,0,0,0,0|0,0,2]=2 59 B6R0.4 O=C(O)CCCS Z147642510 [0,0,0,0,0,0|0,1,0]=1 60 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,2]=3 61 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,2]=3 62 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,0]=1 72 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 94 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,0]=2 101 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|0,1,0]=2 102 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.2 C#CCCCN Z1945700461 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 C=CCCC#N Z1219746591 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|3,0,0]=4 108 B5R0.2 CC#CCCO Z1033337288 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|1,0,0]=2 110 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.2 N#CCCCN Z1649677743 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.2 OC/C=C/CO Z237581088 [1,0,0,0,0,0|0,0,3]=4 120 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.2 CC(C)CC(N)CO Z734151210 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.2 CC(CO)CC(F)F Z2285508033 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.2 CN(C)CC(N)CO Z2092369044 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.3 CC(CN)CCCO Z2234185702 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.3 CCCCN(C)N=O Z1198149449 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.3 CCNCC(=O)NC Z55849445 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.3 CCNCC(=O)OC Z138464962 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.3 CNCCC(=O)NC Z852427258 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.3 CNCCC(=O)OC Z140562916 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.3 COC(=O)CCC#N Z1179894109 [0,1,0,0,0,0|1,0,1]=3 156 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.4 C#CCOCC(=O)O Z362807246 [0,1,0,0,0,0|1,0,1]=3 165 B7R0.4 C#CCSCC(=O)O Z149151642 [0,1,0,0,0,0|1,0,1]=3 166 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,0,0,0,0|1,0,0]=2 167 B7R0.4 C=CCNCC(=O)O Z803145546 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.4 C=CCOCC(=O)O Z362807794 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.4 C=CCSCC(=O)O Z149151274 [0,1,0,0,0,0|1,0,1]=3 170 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.4 CC(C)CNCCO Z3269089575 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.4 CC(C)NCCCO Z56799938 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.4 CC(C)OCCCO Z1080358780 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.4 CCCCCC(=N)N Z3490473907 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.4 CCCCNC(=S)N Z56930717 [0,1,0,0,0,0|2,1,0]=4 181 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,0,0,0,0|1,0,0]=2 187 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,0,0,0,0|1,0,0]=2 189 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.4 CNCCNC(=O)C Z1456777974 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.4 COCCCC(=N)N Z1267882086 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.4 COCCCC(=O)C Z406376722 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.4 COCCCC(=O)O Z316258912 [0,1,0,0,0,0|0,0,0]=1 196 B7R0.4 COCCCC(C)O Z854048762 [0,1,0,0,0,0|1,0,1]=3 197 B7R0.4 COCCCN(C)C Z2894648941 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.4 COCCNC(=O)N Z56904572 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.4 COCOCC(=N)N Z1723549321 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,0,0,0,0|0,1,0]=2 201 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,1,0,0,0,0|1,0,0]=2 202 B7R0.4 N#CCSCC(=O)O Z19691779 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|1,0,0]=2 204 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,0,0,0,0|1,0,0]=2 205 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,0,0,0,0|2,0,0]=3 206 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|1,0,0]=2 207 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,0,0,0,0|2,0,0]=3 208 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,0,0,0,0|1,0,0]=2 212 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,0,0,0,0|0,1,0]=2 214 B7R0.4 O=C(O)CNCCO Z425411352 [0,1,0,0,0,0|0,0,0]=1 215 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|0,0,1]=2 216 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,0,0,0,0|0,0,1]=2 217 B7R0.4 OCCNCC(F)F Z608352548 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.4 OCCOCC(F)F Z1251415632 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|1,0,1]=3 222 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|1,0,1]=3 223 B7R0.5 CC(C)C(N)CCO Z979743766 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|1,0,0]=2 226 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|1,0,0]=2 231 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|1,0,0]=2 232 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|1,0,0]=2 240 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|0,0,0]=1 241 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|1,0,0]=2 242 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|1,0,0]=2 243 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|0,0,0]=1 245 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|0,0,0]=1 246 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,1,0,0,0,0|0,0,2]=3 247 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,1,0,0,0,0|1,0,2]=4 251 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,1,0,0,0,0|1,0,0]=2 253 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,0,0,0,0|1,0,0]=2 259 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,1,0,0,0,0|0,0,0]=1 261 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,1,0,0,0,0|1,0,1]=3 264 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,1,0,0,0,0|0,0,3]=4 268 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,1,0,0,0,0|0,0,1]=2 269 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.8 CC(C)(C)CCCO Z1183459256 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,1,0,0,0,0|1,0,1]=3 276 B7R0.8 CS(=O)(=O)NCCO Z57801016 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,1,0,0,0,0|2,0,0]=3 279 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,1,0,0,0,0|1,0,1]=3 280 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|1,0,0]=2 283 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|3,0,0]=4 293 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|1,0,2]=4 295 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|0,0,2]=3 296 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|1,0,2]=4 300 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|2,0,0]=3 301 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|1,0,0]=2 303 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|1,1,0]=3 304 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|2,0,0]=3 305 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,1,0,0|1,1,0]=3 307 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,1,0,0|3,0,0]=4 308 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|3,0,0]=4 309 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|2,1,0]=4 310 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,1,0,0|2,1,0]=4 311 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,1,0,0|1,1,1]=4 316 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,0,0,1,0,0|2,0,1]=4 320 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [0,0,0,1,0,0|2,0,1]=4 321 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [0,0,0,1,0,0|2,0,1]=4 322 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|2,0,0]=3 323 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,0]=3 324 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,0]=2 325 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,0]=2 326 B7R1.14 CC1(CCCC1)O Z449370856 [0,0,0,1,0,0|2,0,1]=4 327 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,0,0,1,0,0|3,0,0]=4 328 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,1,0,0|2,0,1]=4 330 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,1,0,0|3,0,0]=4 331 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|2,0,0]=3 332 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|3,0,0]=4 333 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|1,0,0]=2 334 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|1,0,0]=2 335 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|2,0,0]=3 336 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|2,0,0]=3 337 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,0,0,1,0,0|2,0,1]=4 339 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|2,0,0]=3 340 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,0|3,0,0]=4 341 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|1,0,0]=2 342 B7R1.23 CC1(CC1CO)C Z1198310193 [0,0,0,1,0,0|2,0,1]=4 343 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 344 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 346 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 349 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 351 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 352 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 353 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 354 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 357 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 359 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|2,0,0]=4 360 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 361 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 362 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,0]=3 363 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 365 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 366 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|0,0,0]=2 368 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 369 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 370 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,1]=3 371 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,1]=4 374 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 375 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,0]=3 376 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 378 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,0]=2 382 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 388 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 391 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|0,0,2]=4 395 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|0,0,1]=3 396 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|0,0,2]=4 397 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,0]=2 402 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|2,0,0]=4 403 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,0]=3 404 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|0,0,0]=2 405 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,0]=3 408 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|0,0,0]=2 410 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|0,0,2]=4 411 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|0,0,1]=3 412 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|0,0,2]=4 413 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|1,0,0]=3 415 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|0,0,0]=2 416 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|0,0,0]=2 419 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|0,0,0]=2 420 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,0]=3 421 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|0,0,0]=2 422 B6R0.3 CCC(O)C(C)O Z1251352132 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|0,0,0]=2 424 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|0,0,0]=2 425 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|0,0,0]=2 426 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|2,0,0]=4 428 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|2,0,0]=4 430 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|0,0,0]=2 433 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|0,1,0]=3 434 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|1,0,0]=3 435 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|1,0,0]=3 437 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|0,0,0]=2 438 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|0,1,0]=3 439 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|0,0,0]=2 440 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.5 NS(=O)(=O)CCO Z1267897807 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.6 C=CCCCCN Z1198160046 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.6 C=CCNCCO Z137800938 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.6 C=CCOCCN Z976678988 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.6 C=CCSCCN Z1262237162 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.6 CCCCCCO Z104473568 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.6 CCNCCCO Z138139914 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.6 CCOCCCO Z1080358490 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.6 CNCCCCO Z839096662 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.6 CNCCCOC Z137847932 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.6 COCCCC#N Z295205400 [1,1,0,0,0,0|1,0,1]=4 454 B6R0.6 COCCCCO Z431605254 [1,1,0,0,0,0|0,0,1]=3 455 B6R0.6 COCCN=C=O Z1094719556 [1,1,0,0,0,0|1,0,1]=4 456 B6R0.6 CONCCCN Z2492414217 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.6 N#CCCCCO Z431952150 [1,1,0,0,0,0|1,0,1]=4 458 B6R0.6 O=CCCCC=O Z57127529 [1,1,0,0,0,0|0,0,1]=3 459 B6R0.6 OCCNCCO Z104475196 [1,1,0,0,0,0|0,0,1]=3 460 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,2,0,0,0,0|1,0,1]=4 461 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|1,0,0]=3 464 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|1,0,0]=3 468 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|1,0,0]=3 470 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,2,0,0,0,0|0,0,2]=4 482 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|0,0,0]=2 483 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,2,0,0,0,0|1,0,1]=4 490 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,2,0,0,0,0|0,0,2]=4 493 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,2,0,0,0,0|1,0,0]=3 495 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,2,0,0,0,0|1,0,1]=4 497 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,2,0,0,0,0|1,0,0]=3 498 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,2,0,0,0,0|1,0,0]=3 499 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,2,0,0,0,0|1,0,0]=3 500 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,2,0,0,0,0|1,0,0]=3 501 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,2,0,0,0,0|2,0,0]=4 502 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,2,0,0,0,0|0,0,2]=4 505 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,2,0,0,0,0|0,0,2]=4 506 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,2,0,0,0,0|1,0,0]=3 508 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,2,0,0,0,0|1,0,1]=4 510 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,2,0,0,0,0|0,0,2]=4 514 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,2,0,0,0,0|0,0,2]=4 515 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,2,0,0,0,0|0,0,2]=4 516 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,2,0,0,0,0|0,0,2]=4 517 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,2,0,0,0,0|0,0,1]=3 518 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,2,0,0,0,0|1,0,0]=3 519 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,2,0,0,0,0|0,0,1]=3 520 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,2,0,0,0,0|0,0,1]=3 521 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,2,0,0,0,0|0,0,2]=4 522 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,2,0,0,0,0|0,0,1]=3 523 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,2,0,0,0,0|0,0,1]=3 524 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,2,0,0,0,0|0,0,1]=3 525 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,2,0,0,0,0|0,0,1]=3 526 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,2,0,0,0,0|1,0,1]=4 528 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,2,0,0,0,0|1,0,1]=4 530 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.34 CC(C)(CO)CC(=N)N Z4074619777 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|1,0,0]=3 533 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|1,0,0]=3 534 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.1 CCNC(=O)NCCO Z425745170 [0,2,0,0,0,0|2,0,0]=4 538 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.1 CCOC(=O)NCCO Z31725113 [0,2,0,0,0,0|1,0,0]=3 541 B8R0.1 COCCC(=O)COC Z992968820 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.1 N#CCC(=O)NCCO Z57906863 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|1,0,1]=4 544 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|2,0,0]=4 545 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|2,0,0]=4 546 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|1,0,0]=3 547 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,0]=3 548 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|1,0,0]=3 549 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,2,0,0,0,0|1,0,1]=4 551 B8R0.6 CC(CO)CSCCO Z1270309408 [0,2,0,0,0,0|1,0,1]=4 552 B8R0.6 CCCCCC(=O)NO Z59181978 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,2,0,0,0,0|2,0,0]=4 555 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.6 CCCNCC(=O)NC Z104884728 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,2,0,0,0,0|1,0,0]=3 558 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.6 CNC(=O)COCCN Z1457935024 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.6 CNC(=O)NCCCN Z3475808324 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.6 CNC(=O)NCCCO Z177090148 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.6 CNCCCC(=O)OC Z415636552 [0,2,0,0,0,0|1,0,0]=3 565 B8R0.6 COC(=O)CCCC#N Z415715362 [0,2,0,0,0,0|1,0,0]=3 566 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|1,0,0]=3 567 B8R0.6 COC(=O)CCN=C=S Z237517204 [0,2,0,0,0,0|0,1,1]=4 568 B8R0.6 COC(=O)NCCCN Z3772660622 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.6 COCCNC(=O)CCl Z56887684 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,2,0,0,0,0|1,0,1]=4 571 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|1,0,1]=4 572 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|1,0,0]=3 573 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|1,0,1]=4 574 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|1,0,1]=4 575 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,2,0,0,0,0|2,0,0]=4 576 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|2,0,0]=4 577 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|1,0,0]=3 578 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|1,0,0]=3 583 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|1,0,0]=3 584 B8R0.8 CN(C)C(=O)CCCN Z815264106 [0,2,0,0,0,0|2,0,0]=4 585 B8R0.8 CN(C)C(=O)CCCO Z839108358 [0,2,0,0,0,0|1,0,0]=3 586 B8R0.8 CN(C)C(=O)NCCO Z208334210 [0,2,0,0,0,0|2,0,0]=4 587 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|0,0,0]=2 588 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|0,0,0]=2 589 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|0,1,0]=3 590 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|0,1,0]=3 591 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|0,1,0]=3 592 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|0,1,0]=3 593 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|1,0,0]=3 596 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|1,0,0]=3 597 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|0,0,0]=2 599 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|0,0,1]=3 600 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,2,0,0,0,0|1,0,0]=3 601 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,2,0,0,0,0|1,0,0]=3 603 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,2,0,0,0,0|1,0,0]=3 604 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,2,0,0,0,0|1,0,1]=4 605 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,2,0,0,0,0|1,0,0]=3 609 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,2,0,0,0,0|0,0,2]=4 613 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,2,0,0,0,0|0,0,1]=3 614 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,2,0,0,0,0|0,0,0]=2 616 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,2,0,0,0,0|0,1,0]=3 617 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,2,0,0,0,0|1,0,0]=3 618 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,2,0,0,0,0|1,0,1]=4 619 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,2,0,0,0,0|1,0,0]=3 620 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,2,0,0,0,0|1,0,0]=3 621 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,2,0,0,0,0|1,0,0]=3 623 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,2,0,0,0,0|1,0,0]=3 626 B8R0.7 CC#CCNCC(=O)O Z4923954034 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,2,0,0,0,0|2,0,0]=4 628 B8R0.7 CC(=O)NCCCCN Z600498842 [0,2,0,0,0,0|2,0,0]=4 629 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|1,0,0]=3 630 B8R0.7 CCCCNCC(=O)N Z398513412 [0,2,0,0,0,0|2,0,0]=4 631 B8R0.7 CCCCOCC(=O)O Z409190912 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.7 CCCCSCC(=O)O Z239951532 [0,2,0,0,0,0|1,0,0]=3 633 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,2,0,0,0,0|1,0,0]=3 635 B8R0.7 CCNCCNC(=O)C Z123868526 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.7 CCOCCCC(=O)O Z316258950 [0,2,0,0,0,0|0,0,0]=2 637 B8R0.7 CCOCCNC(=O)N Z432417116 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,2,0,0,0,0|1,0,0]=3 639 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.7 COCCCCC(=O)O Z362633826 [0,2,0,0,0,0|0,0,0]=2 641 B8R0.7 COCCCNC(=N)N Z1269638449 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.7 COCCCNC(=O)N Z56979275 [0,2,0,0,0,0|1,0,0]=3 643 B8R0.7 COCCCOC(=O)C Z1123440688 [0,2,0,0,0,0|1,0,0]=3 644 B8R0.7 COCCNCC(=O)N Z1262250392 [0,2,0,0,0,0|1,0,0]=3 645 B8R0.7 COCCNCC(=O)O Z1276446903 [0,2,0,0,0,0|0,0,0]=2 646 B8R0.7 COCCOCC(=O)C Z447894346 [0,2,0,0,0,0|1,0,0]=3 647 B8R0.7 COCCOCC(=O)O Z104477918 [0,2,0,0,0,0|0,0,0]=2 648 B8R0.7 COCCSCC(=O)O Z167837764 [0,2,0,0,0,0|0,0,0]=2 649 B8R0.7 CSCCCCC(=O)O Z732206636 [0,2,0,0,0,0|0,1,0]=3 650 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,2,0,0,0,0|0,1,0]=3 651 B8R0.7 N#CCCSCC(=O)O Z1205494587 [0,2,0,0,0,0|1,0,0]=3 652 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,2,0,0,0,0|1,0,0]=3 653 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,2,0,0,0,0|1,0,0]=3 654 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,2,0,0,0,0|1,0,0]=3 655 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,2,0,0,0,0|1,0,0]=3 656 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,2,0,0,0,0|1,0,0]=3 657 B8R0.7 O=C(O)CCNCCO Z53116574 [0,2,0,0,0,0|0,0,0]=2 658 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,2,0,0,0,0|0,0,1]=3 659 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,2,0,0,0,0|1,0,1]=4 660 B8R0.21 COCCCS(=O)(=O)N Z734461458 [0,2,0,0,0,0|1,0,1]=4 661 B8R0.21 CS(=O)(=O)NCCCO Z57801017 [0,2,0,0,0,0|1,0,1]=4 662 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,2,0,0,0,0|0,0,1]=3 666 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,2,0,0,0,0|0,0,2]=4 667 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,2,0,0,0,0|0,0,2]=4 668 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,2,0,0,0,0|1,0,0]=3 669 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,2,0,0,0,0|2,0,0]=4 670 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,2,0,0,0,0|2,0,0]=4 671 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,2,0,0,0,0|1,0,0]=3 672 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,2,0,0,0,0|1,0,0]=3 673 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,2,0,0,0,0|1,0,0]=3 674 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,2,0,0,0,0|1,0,0]=3 675 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,2,0,0,0,0|1,0,0]=3 676 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,2,0,0,0,0|1,0,0]=3 677 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,2,0,0,0,0|0,0,1]=3 678 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,2,0,0,0,0|0,0,1]=3 679 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,2,0,0,0,0|0,0,1]=3 681 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,2,0,0,0,0|0,0,2]=4 682 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,2,0,0,0,0|0,0,2]=4 683 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,2,0,0,0,0|0,0,2]=4 684 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,2,0,0,0,0|0,0,0]=2 685 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,2,0,0,0,0|0,0,1]=3 686 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,2,0,0,0,0|0,0,1]=3 687 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,2,0,0,0,0|0,0,1]=3 688 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|1,0,0]=3 689 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,2,0,0,0,0|0,0,1]=3 690 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|1,0,0]=3 691 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 692 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|1,0,0]=3 693 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|1,0,0]=3 694 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|2,0,0]=4 696 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|2,0,0]=4 697 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|2,0,0]=4 698 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|2,0,0]=4 699 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,2,0,0,0,0|1,0,0]=3 700 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|1,0,0]=3 701 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|1,0,0]=3 702 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|1,0,0]=3 703 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|2,0,0]=4 704 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|2,0,0]=4 705 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.29 CC(=O)CCC(F)(F)F Z1235985192 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,2,0,0,0,0|1,0,0]=3 710 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,2,0,0,0,0|2,0,0]=4 711 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,2,0,0,0,0|2,0,0]=4 712 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,2,0,0,0,0|1,0,0]=3 713 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [0,2,0,0,0,0|0,0,2]=4 714 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,2,0,0,0,0|0,0,1]=3 715 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,2,0,0,0,0|1,0,0]=3 716 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.29 NC(=O)CCC(F)(F)F Z1203585658 [0,2,0,0,0,0|2,0,0]=4 718 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.29 O=C(O)CSC(F)(F)F Z57932525 [0,2,0,0,0,0|2,0,0]=4 721 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 722 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 723 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 724 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 725 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 726 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 727 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|1,1,0]=4 728 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 729 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,0]=3 730 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 731 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 732 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 733 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,1]=4 734 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [1,0,0,1,0,0|1,0,1]=4 735 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|1,0,1]=4 736 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [1,0,0,1,0,0|2,0,0]=4 737 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 738 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|1,0,1]=4 739 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|2,0,0]=4 740 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|1,0,1]=4 741 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,0]=3 742 B8R1.1 CC1=NOC(C1)CN Z2235810232 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,1,0,0|1,0,1]=4 746 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.1 NCC1CC(=NO1)Cl Z4371346417 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|0,0,2]=4 756 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|1,0,1]=4 774 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|0,0,2]=4 775 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,1,0,1,0,0|1,0,1]=4 781 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,1,0,1,0,0|1,0,1]=4 783 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|2,0,0]=4 785 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|0,0,0]=2 792 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.43 CC(=O)C1CC1C#N Z1514030424 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,1,0,1,0,0|1,0,0]=3 798 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|0,0,1]=3 800 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|0,0,1]=3 801 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|0,0,1]=3 802 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.51 O=S1(=O)CCC(C1)O Z57161902 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.62 NC1(CC(C1)O)CO Z4354944969 [0,1,0,1,0,0|1,0,1]=4 809 B8R1.62 N[C@@]1(C[C@@H](C1)O)CO Z4425391382 [0,1,0,1,0,0|1,0,1]=4 810 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.83 CC1CC1C(=O)NN Z58981971 [0,1,0,1,0,0|2,0,0]=4 813 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.2 N#CC1=COCCC1 Z1134174156 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,1,0,0|1,0,1]=4 818 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,1,0,0|1,0,0]=3 819 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,1,0,0|1,0,1]=4 822 B8R1.2 OCC1=COCCO1 Z1101443027 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,1,0,0|1,0,1]=4 824 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,1,0,0|2,0,0]=4 825 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,1,0,0|1,0,1]=4 828 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|1,1,0]=4 835 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|1,0,1]=4 838 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|2,0,0]=4 839 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.22 OC1CNCCOC1 Z2234631219 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,1,0,0|0,0,2]=4 857 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,1,0,1,0,0|1,0,1]=4 858 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|1,0,1]=4 859 B8R1.6 C=CCC1CC(=O)N1 Z1203730933 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,1,0,1,0,0|2,0,0]=4 861 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,1,0,1,0,0|1,0,1]=4 866 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,1,0,1,0,0|1,0,1]=4 867 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,1,0,1,0,0|1,0,1]=4 868 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|2,0,0]=4 876 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|1,0,0]=3 878 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|0,1,1]=4 879 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|0,0,1]=3 880 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|0,0,1]=3 881 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|1,0,1]=4 882 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|1,0,1]=4 883 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|0,0,0]=2 886 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|0,1,0]=3 887 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|1,0,0]=3 888 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|0,0,0]=2 889 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|0,0,0]=2 890 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|0,1,0]=3 891 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|0,1,0]=3 893 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|0,0,0]=2 894 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|0,1,0]=3 895 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|1,0,0]=3 899 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|1,0,1]=4 900 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,1,0,1,0,0|2,0,0]=4 903 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,1,0,1,0,0|1,0,0]=3 905 B8R1.36 OCCOCC1CO1 Z332379868 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|1,0,0]=3 908 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|2,0,0]=4 909 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,1,0,0|0,0,1]=3 912 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,1,0,0|0,0,2]=4 913 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|1,0,0]=3 918 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,0]=3 919 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|1,0,0]=3 920 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|2,0,0]=4 923 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|1,0,0]=3 924 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|2,0,0]=4 925 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|1,0,0]=3 929 B8R1.77 NC(=O)C1CC1(F)F Z1203638703 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,1,0,1,0,0|1,0,0]=3 931 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.56 CC(C)(O)CC1CO1 Z1504674674 [0,1,0,1,0,0|1,0,1]=4 933 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|2,0,0]=4 934 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|2,0,0]=4 935 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,2,0,0|1,0,1]=4