0 B6R0.1 C#CC(=O)OCC Z104478880 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 C#CCC(=O)OC Z1198160347 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCC(=O)COC Z825742020 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCCC(=O)CN Z1203579017 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCCC(=O)NO Z59181937 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCCC(C)NC Z394693580 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCCC(N)CC Z1642389626 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCNC(=N)NC Z1357224692 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCNC(=O)CN Z54747476 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CCNC(=O)CO Z431952024 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CCNC(=S)NN Z56965890 [0,0,0,0,0,0|2,1,0]=3 11 B6R0.1 CCNC(C)CC Z2509351098 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCOC(=N)CC Z3033961910 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCOC(=O)CN Z594038186 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 CCOC(=O)CO Z385458066 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCOC(=O)NN Z104478458 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.1 CCOC(C)CN Z844631802 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCS(=O)CCN Z1266854910 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 CNC(=O)CC#N Z56945997 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 CNC(=O)CCCl Z239813512 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 CNC(=O)CCN Z425449754 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 CNC(=O)CCO Z975909370 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 CNC(C)CCO Z1198266877 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CNC(C)COC Z815264298 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CNC(C)CSC Z995116552 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CNCC(=O)NC Z57981096 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 CNCC(=O)OC Z89264972 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.1 CONC(=O)CCl Z234816732 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.1 N#CCC(=O)NN Z104474618 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|0,0,0]=1 41 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|1,1,0]=3 42 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.2 C/C=C/OCC Z281777810 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.2 CC#CCNC Z2679312432 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 CCNOCC Z223690220 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.2 CCOCC#N Z295205412 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 CNCCOC Z1259162131 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 CNCCSC Z1398461959 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.3 C/N=C(\N)/NC Z1089996530 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.3 C/N=C(\N)/SC Z107728770 [1,0,0,0,0,0|1,1,1]=4 72 B5R0.3 C=C(CC)CN Z2238934536 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 CCC(=O)CC Z104476878 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.3 CCC(=O)CN Z1203579016 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.3 CCC(=O)NN Z56886418 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.3 CNC(=N)NN Z2301534051 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.3 CNC(=O)CCl Z56891219 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.3 CNC(=O)CN Z57981102 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.3 CNC(=O)CS Z1203730878 [1,0,0,0,0,0|1,0,0]=2 83 B5R0.3 CNC(C)CN Z941154208 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 COC(=O)CN Z57042020 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.3 N=C(CN)NO Z223781376 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.3 NCC(=O)CN Z1198147360 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.3 O=C(CO)CO Z1255442144 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,1,0,0,0,0|2,1,0]=4 91 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 C#CCNC(=O)CC Z220957516 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 C#CCNC(=O)NC Z177091744 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.3 C#CCOC(=O)CN Z3401786508 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.3 CCCCC(C)NC Z446022384 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.3 CCCNC(=S)NN Z56985754 [0,1,0,0,0,0|2,1,0]=4 111 B7R0.3 CCNCC(=O)NC Z55849445 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.3 CCNCC(=O)OC Z138464962 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 CCSCC(C)NC Z1238713281 [0,1,0,0,0,0|1,1,1]=4 114 B7R0.3 CNC(=N)CCOC Z2739543518 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,0,0,0,0|0,0,0]=1 118 B7R0.3 CNCCC(=O)NC Z852427258 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.3 CNCCC(=O)OC Z140562916 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.3 COC(=O)CCC#N Z1179894109 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.7 CCCC(C)CNC Z3214687920 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.7 CCNC(=O)CCCl Z239813542 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.7 CCNC(=O)CNC Z594038090 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.7 CCOC(=N)CSC Z4498865780 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.7 CCOC(=O)CC#N Z104473162 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.7 CCOC(=O)CNC Z1262237263 [0,1,0,0,0,0|0,0,0]=1 145 B7R0.7 CCOC(=O)OCC Z104482516 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.7 CCOC(C)OCC Z104476998 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.10 CNC(=O)N(C)N=O Z1198155659 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.11 CCCS(=O)(=O)NC Z55026691 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.11 CNS(=O)(=O)CCN Z1778350436 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.1 CNC1=NCCN1 Z3072981652 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.1 CNC1=NCCS1 Z744843656 [0,0,0,1,0,0|1,1,0]=3 171 B7R1.1 CNC1=NN=CO1 Z235540568 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.1 CNC1CCCC1 Z102766802 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.1 COC1=NCCC1 Z147641734 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.1 CSC1=NCCN1 Z56790627 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|2,0,0]=3 181 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|1,0,0]=2 183 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,0|1,0,1]=3 185 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|0,0,0]=1 189 B7R1.2 CC1CNC(C1)C Z1250222491 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,1,0,0|1,1,1]=4 199 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|1,0,1]=3 201 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|1,1,0]=3 205 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|0,0,0]=1 213 B7R1.3 O=C1NCNCN1 Z1255437058 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.3 S=C1NCNCN1 Z56756573 [0,0,0,1,0,0|2,1,0]=4 216 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|1,0,1]=3 217 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,1,0,0|1,0,2]=4 221 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,1,0,0|0,0,2]=3 222 B7R1.4 CN1C=NNC1=O Z1526503443 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|1,0,0]=2 224 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|1,0,0]=2 225 B7R1.4 CN1CCSC1=N Z3242405392 [0,0,0,1,0,0|1,1,0]=3 226 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.4 CN1NC=NC1=O Z1582263737 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.4 CN1SC=CC1=O Z3227502095 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|2,1,0]=4 231 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|2,1,0]=4 233 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|2,1,0]=4 234 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.22 CNC(=N)C1CC1 Z2120060845 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.22 CNC(C)C1CC1 Z270730248 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.22 N=C(NN)C1CC1 Z951367962 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.25 CNC1(CCC1)C Z1255443634 [0,0,0,1,0,0|2,0,1]=4 245 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|1,0,1]=4 246 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|1,0,1]=4 247 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 248 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 249 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|1,0,0]=3 250 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|1,0,0]=3 251 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|1,0,0]=3 252 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|0,0,0]=2 253 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,0]=3 254 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|0,1,0]=3 255 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,2]=4 257 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|0,0,0]=2 259 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.1 COC(=N)N Z1741976783 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|0,0,0]=2 262 B4R0.1 CSC(=N)N Z1741980405 [2,0,0,0,0,0|1,1,0]=4 263 B4R0.1 N=C(N)CCl Z204878288 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|1,0,0]=3 268 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,0]=3 271 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|2,0,0]=4 272 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.2 CC(=O)NC(=O)N Z104476284 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.2 CC(C)NC(=N)N Z1650168329 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.2 CC(C)NC(=S)N Z56979374 [1,1,0,0,0,0|1,1,0]=4 287 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.3 CCN(C)C(=N)N Z1718490393 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.4 C#CCNC(=O)C Z220957448 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 C#CCNC(=O)N Z198194920 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 C#CCOC(=O)N Z1203578973 [1,1,0,0,0,0|0,0,1]=3 310 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|0,0,0]=2 316 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,1,0]=4 325 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|0,0,0]=2 326 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.4 CCOCC(C)N Z839575202 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.4 N#CCNC(=O)N Z600498544 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.4 N=C(N)NCCN Z2235813444 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.4 N=C(N)NCCO Z911465228 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.4 N=C(N)SCCO Z57111959 [1,1,0,0,0,0|1,1,0]=4 342 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|0,0,0]=2 345 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|0,0,0]=2 349 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.5 CCNS(=O)(=O)C Z53825320 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.5 CCOS(=O)(=O)N Z2751120716 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.6 CCCOCCN Z4449042604 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.6 CCOCCCO Z1080358490 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.6 CNCCCCN Z2939606540 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.6 CNCCCCO Z839096662 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.6 CNCCCOC Z137847932 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.6 CNCCCSC Z102766932 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.8 CCC(C)(C)NC Z335250498 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.8 COP(=O)([S-])OC Z3670332895 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.8 COS(=O)(=O)OC Z104473216 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.9 C/N=C(/NC)\SC Z107728778 [1,1,0,0,0,0|1,1,0]=4 362 B6R0.9 CCC(C#N)NC Z2472860014 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.9 CCC(CC)NC Z1262254286 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.9 CCN(CC)N=O Z1255485632 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.9 CN=C(NC)NC Z1089996514 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.9 CNC(=NN)NC Z1601562190 [1,1,0,0,0,0|2,0,0]=4 367 B8R0.2 CCC(=O)N(C)C(C)C Z280750384 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.2 CCN(C)C(=O)C(C)N Z1450265575 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,2,0,0,0,0|1,0,0]=3 370 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,2,0,0,0,0|1,0,0]=3 371 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|1,0,0]=3 381 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,2,0,0,0,0|1,0,1]=4 382 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.5 CNCC(=O)NC(C)C Z46191420 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,2,0,0,0,0|1,0,1]=4 386 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,2,0,0,0,0|1,0,1]=4 388 B8R0.23 CC(C)NC(=O)C(C)Cl Z85917590 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.23 CC(C)NC(=O)C(C)N Z1449741458 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.23 CC(C)NC(=O)C(C)O Z431951892 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.23 CC(C)OC(=O)[C@@H](C)N Z1431904013 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.24 CC(C)(C)OC(=O)CCl Z56915921 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.24 CC(C)(C)OC(=O)CN Z1268152400 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [0,2,0,0,0,0|1,0,0]=3 396 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,2,0,0,0,0|0,0,0]=2 397 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.1 C#CCNC(=O)CCN Z4191042568 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.1 C=CCCC(=O)CCC Z406377524 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.1 CCCNC(=O)CNC Z56979317 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.1 CCNC(=O)NCCN Z2205958434 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.1 CCNC(=O)NCCO Z425745170 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.1 CCNCC(=O)NCC Z55849446 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,2,0,0,0,0|0,0,0]=2 408 B8R0.1 CCOC(=O)NCCO Z31725113 [0,2,0,0,0,0|0,0,0]=2 409 B8R0.1 COCCC(=O)COC Z992968820 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.3 CCOC(=O)C(C)C#N Z878438822 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,2,0,0,0,0|0,0,0]=2 419 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.6 CCCCCC(=O)NO Z59181978 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.6 CCCNCC(=O)NC Z104884728 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.6 CNC(=O)COCCN Z1457935024 [0,2,0,0,0,0|0,0,0]=2 430 B8R0.6 CNC(=O)NCCCN Z3475808324 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.6 CNC(=O)NCCCO Z177090148 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,2,0,0,0,0|0,0,0]=2 433 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.6 CNCCCC(=O)OC Z415636552 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.6 COC(=O)CCCC#N Z415715362 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.6 COC(=O)NCCCN Z3772660622 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.8 C#CCNC(=O)N(C)C Z208334488 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.8 CC(N)C(=O)NCCF Z1992147476 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.8 CC(N)C(=O)NCCN Z1080379186 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.8 CCCNC(=O)C(C)Cl Z147652134 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.8 CCCNC(=O)C(C)N Z89265000 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.8 CCNCC(=O)N(C)C Z104765936 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.8 CN(C)C(=O)CCCN Z815264106 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.8 CN(C)C(=O)CCCO Z839108358 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.8 CN(C)C(=O)NCCO Z208334210 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.8 CN(C)C(=O)OCCN Z2517220618 [0,2,0,0,0,0|0,0,0]=2 448 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.8 CSCCC(=O)N(C)C Z32013664 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.9 CN(C)CCC(=O)NN Z56959747 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.11 C/N=C(\NC)/NCCN Z5090006880 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.11 C/N=C(\NC)/NCCO Z911465230 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.25 CCCCS(=O)(=O)NC Z55258068 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.25 CNCCS(=O)(=O)NC Z3061184024 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.25 CNS(=O)(=O)CCCN Z2731710906 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.25 CNS(=O)(=O)CCOC Z838129520 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.14 CCCC(=O)C(C)(C)C Z406377804 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.14 CCNC(=O)C(C)(C)C Z54718267 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.14 CCNC(=O)C(C)(C)N Z1449756823 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.14 CCOC(=O)C(C)(C)N Z1263529587 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.14 CCOC(=O)C(C)(F)F Z1201623583 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|1,0,1]=4 468 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.13 CNC(=O)C(C)(C)CN Z878097856 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|2,0,0]=4 473 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.2 CC1=NCCS1 Z104480256 [1,0,0,1,0,0|1,1,0]=4 475 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 478 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 479 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|0,0,0]=2 484 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|0,1,0]=3 485 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 486 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.2 SC1=NCCN1 Z104497392 [1,0,0,1,0,0|1,1,0]=4 488 B6R1.9 CC1OC1(C)C Z1255419606 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,1,0,0|1,0,0]=3 492 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|1,0,1]=4 494 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|1,0,1]=4 495 B6R1.7 CNC1(CC1)C Z2310723089 [1,0,0,1,0,0|1,0,1]=4 496 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.1 CNC1=NOC(=C1)C Z3069017324 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|0,0,0]=2 505 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|0,0,0]=2 513 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.4 CC1CNCC(O1)C Z104472602 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,1,0,0|0,1,1]=4 531 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,1,0,0|0,1,1]=4 533 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.18 CC1CC(=NN1C)N Z1623872195 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.18 CC1CN(C(=N)S1)C Z56872057 [0,1,0,1,0,0|1,1,0]=4 542 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.40 CNC(=N)NC1CC1 Z1200960752 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,1,0,1,0,0|0,0,0]=2 553 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.83 CC1CC1C(=O)NN Z58981971 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.2 CSC1=NCCCN1 Z104341704 [0,1,0,1,0,0|1,1,0]=4 558 B8R1.2 NCC1=NCCCN1 Z994488026 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.3 CN1CN=C(NC1)S Z57980315 [0,1,0,1,0,0|1,1,0]=4 568 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.5 CN1CNCNC1=O Z5130722475 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|0,0,0]=2 598 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|0,0,1]=3 609 B8R1.50 CN1CCN(C1=N)C Z3847494837 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.52 CNC1(CCOC1)C Z3824199181 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.19 CN1CCNS1(=O)=O Z1198163791 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.37 COCC(=O)C1CC1 Z1172086177 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.8 CC/C=C\1/CCNC1 Z1353044913 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.8 CCOC1=CNN=C1 Z1726113833 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.8 CCOC1=NNC=C1 Z1416187675 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.8 CNCC1CCCO1 Z137696198 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.11 C=CN1CCCC1=O Z104475034 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.11 CCN1C=CNC1=O Z1198329853 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.11 CCN1CCNC1=O Z1179328150 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.11 CSC1=NCCN1C Z1269243967 [0,1,0,1,0,0|1,1,0]=4 634 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.72 O=S1(=O)NCCCN1 Z1551944962 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.82 CCOC1(CC1)C=O Z2301376664 [0,1,0,1,0,0|1,0,1]=4 641 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,0]=3 642 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|1,0,0]=3