0 B4R0.1 C#CC(=O)O Z104493798 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=C(Br)CN Z600439032 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C=C(Br)CO Z600440434 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C=CC(=C)C Z104474660 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C=CC(=O)O Z57127944 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C=CC(C)N Z1446855743 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(=O)C=O Z104495190 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(=O)CN Z1262398366 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.1 CC(=O)NN Z58981787 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(=O)NO Z59181917 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CC(F)CN Z2941405027 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CC(N)CF Z2096088772 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(N)CN Z104474490 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 CC(O)CN Z104477092 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.1 CC(O)CO Z106938868 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 CCC(=N)N Z1741969146 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CCC(=O)N Z33546482 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.1 CCC(=O)O Z104474154 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 CCC(=S)N Z241091446 [0,0,0,0,0,0|1,1,0]=2 19 B4R0.1 CCC(C)N Z104472234 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CC[C@@H](C)O Z1203162396 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 CNC(=N)C Z2146515751 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CNC(=O)C Z32016274 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 CNC(=O)N Z56932989 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 COC(=N)N Z1741976783 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 COC(=O)N Z104476722 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CSC(=N)N Z1741980405 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 C[C@@H](N)CN Z3234812272 [0,0,0,0,0,0|1,0,1]=2 28 B4R0.1 C[C@@H](N)CO Z346076140 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 C[C@@H](O)CO Z1255486379 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 C[C@H](N)CN Z1741977335 [0,0,0,0,0,0|1,0,1]=2 31 B4R0.1 C[C@H](O)CN Z1203577967 [0,0,0,0,0,0|1,0,2]=3 32 B4R0.1 C[C@H](O)CO Z1255449993 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 ClC=C(Cl)Cl Z104473870 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 N=C(N)CCl Z204878288 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 N=C(N)CN Z3798800325 [0,0,0,0,0,0|1,0,0]=1 36 B4R0.1 N=C(N)CO Z1259341033 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.1 N=C(N)NN Z1259217988 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.1 NC(=O)CF Z104475768 [0,0,0,0,0,0|1,0,0]=1 39 B4R0.1 NC(=O)CI Z1080376832 [0,0,0,0,0,0|1,0,0]=1 40 B4R0.1 NC(=O)CO Z424788508 [0,0,0,0,0,0|1,0,0]=1 41 B4R0.1 NC(=O)NO Z1203577934 [0,0,0,0,0,0|2,0,0]=2 42 B4R0.1 NCC(=O)N Z1262254285 [0,0,0,0,0,0|0,0,0]=0 43 B4R0.1 NCC(=O)O Z955123660 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 NCC(F)F Z1295543893 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 NNC(=O)N Z104473922 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 O=C(O)CBr Z104473018 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 O=C(O)CO Z104473274 [0,0,0,0,0,0|2,0,0]=2 48 B4R0.1 O=[N+]([O-])CBr Z1255485348 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 OCC(F)F Z397587054 [0,0,0,0,0,0|3,0,1]=4 50 B3R0.1 C=CCO Z104473976 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 I/C=C/I Z2417817184 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 N#CCN Z1210869368 [1,0,0,0,0,0|0,0,2]=3 53 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.1 NCCF Z1966571823 [1,0,0,0,0,0|1,0,1]=3 55 B3R0.1 NCCN Z104473714 [1,0,0,0,0,0|0,0,1]=2 56 B3R0.1 NCCO Z104473700 [1,0,0,0,0,0|0,0,2]=3 57 B3R0.1 NCCS Z104474494 [1,0,0,0,0,0|0,1,1]=3 58 B3R0.1 OCCS Z104473584 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|0,0,0]=1 60 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|1,0,0]=2 61 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|1,0,0]=2 62 B3R0.2 NC(=O)N Z104473900 [1,0,0,0,0,0|0,0,0]=1 63 B5R0.1 C#CCC(=O)O Z295890060 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 C#CCC(C)N Z3490223481 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.1 C/C=C/C(=O)O Z104476026 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 C=C(C)CCN Z1203582475 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.1 C=CCC(C)N Z1269638561 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.1 CC#CC(=O)N Z1203579284 [0,1,0,0,0,0|1,0,1]=3 70 B5R0.1 CC(=CCN)C Z1827897919 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 CC(=O)CCO Z906206900 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 CC(N)CC#N Z1267773800 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.1 CC(N)CCO Z385458430 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CC(O)CCN Z802904114 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.1 CCCC(=N)N Z1198394172 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 CCCC(=O)N Z33546461 [0,1,0,0,0,0|1,0,0]=2 77 B5R0.1 CCCC(=O)O Z104495380 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.1 CCCC(C)N Z2417819590 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 CCNC(=N)N Z2574931373 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 CCOC(=N)N Z1741973543 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.1 CCOC(=O)N Z33546369 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.1 CCSC(=N)N Z1708092306 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.1 CNCC(=O)N Z415678308 [0,1,0,0,0,0|0,0,0]=1 84 B5R0.1 CNCC(=O)O Z104480276 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 CNCC(C)C Z951367674 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.1 CNCC(C)N Z1413780485 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.1 CNCC(C)O Z138692700 [0,1,0,0,0,0|1,0,2]=4 88 B5R0.1 CNCC(F)F Z1259341074 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.1 COCC(=N)N Z1258620054 [0,1,0,0,0,0|2,0,0]=3 90 B5R0.1 COCC(=O)N Z33546778 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.1 COCC(=O)O Z104477404 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.1 COC[C@@H](C)N Z1270482298 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 COC[C@H](C)N Z1270502316 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 CS(=O)CC#N Z1198176972 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CS(=O)CCN Z802568576 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 CSCC(=N)N Z1459934800 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 CSCC(=O)N Z33545668 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.1 CSCS(=O)C Z1255438413 [0,1,0,0,0,0|3,0,0]=4 99 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,0,0,0,0|1,0,2]=4 101 B5R0.1 N#CCC(=N)N Z1198223505 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 N#CCC(=O)N Z56896153 [0,1,0,0,0,0|0,0,1]=2 103 B5R0.1 N#CCC(=O)O Z104476112 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.1 N#CCC(=S)N Z57046941 [0,1,0,0,0,0|0,1,1]=3 105 B5R0.1 N#CNC(=N)N Z203045078 [0,1,0,0,0,0|1,0,2]=4 106 B5R0.1 N=C(N)CCO Z1198394167 [0,1,0,0,0,0|2,0,0]=3 107 B5R0.1 N=C(N)NC=O Z1203578554 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.1 NC(=O)CCO Z431951940 [0,1,0,0,0,0|1,0,0]=2 109 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.1 NCC=C(F)F Z4511316967 [0,1,0,0,0,0|2,0,0]=3 111 B5R0.1 NCCC(=O)N Z415728050 [0,1,0,0,0,0|0,0,0]=1 112 B5R0.1 NCCC(=O)O Z57127544 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.1 NOCC(=O)O Z90662171 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.1 O=C(O)CCCl Z203045320 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.1 O=C(O)CCS Z104474322 [0,1,0,0,0,0|2,0,0]=3 117 B5R0.1 O=C(O)CNO Z1205493750 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.3 C#CC(N)CO Z2235790715 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.3 C/N=C(\N)/SC Z107728770 [0,1,0,0,0,0|2,1,0]=4 122 B5R0.3 C=C(CC)CN Z2238934536 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.3 C=CC(N)CO Z2146514374 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.3 CC(CN)CN Z951173758 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.3 CC(CN)CO Z406342068 [0,1,0,0,0,0|1,0,2]=4 126 B5R0.3 CC/C(=N/O)/N Z241067842 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.3 CCC(=O)CC Z104476878 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.3 CCC(=O)CN Z1203579016 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.3 CCC(=O)NN Z56886418 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.3 CCC(C)CN Z2350903977 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.3 CCC(C)NC Z594038230 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.3 CCC(N)C#N Z445129502 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.3 CCC(N)CN Z1263714131 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.3 CCC(N)CO Z104474862 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.3 CCC(O)CN Z419084746 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.3 CCN(C)C=O Z1258520870 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.3 CCN(C)N=O Z1198147516 [0,1,0,0,0,0|3,0,0]=4 138 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.3 CC[C@H](N)CO Z1203162358 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.3 CNC(=N)NN Z2301534051 [0,1,0,0,0,0|2,0,0]=3 142 B5R0.3 CNC(=O)CCl Z56891219 [0,1,0,0,0,0|1,0,0]=2 143 B5R0.3 CNC(=O)CN Z57981102 [0,1,0,0,0,0|0,0,0]=1 144 B5R0.3 CNC(=O)CO Z431952700 [0,1,0,0,0,0|1,0,0]=2 145 B5R0.3 CNC(=O)CS Z1203730878 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.3 CNC(C)CN Z941154208 [0,1,0,0,0,0|1,0,1]=3 147 B5R0.3 COC(=O)CN Z57042020 [0,1,0,0,0,0|1,0,0]=2 148 B5R0.3 COC(C)CN Z1795817756 [0,1,0,0,0,0|1,0,2]=4 149 B5R0.3 CSC(C)CN Z844632970 [0,1,0,0,0,0|1,1,1]=4 150 B5R0.3 N#CC(N)CO Z2301438409 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.3 N=C(CN)NO Z223781376 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.3 N=C(NN)NN Z90663781 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.3 NC(CO)CO Z1203577940 [0,1,0,0,0,0|1,0,2]=4 154 B5R0.3 NCC(=O)CN Z1198147360 [0,1,0,0,0,0|0,0,0]=1 155 B5R0.3 NCC(F)CN Z2733320873 [0,1,0,0,0,0|1,0,1]=3 156 B5R0.3 NCC(N)CN Z1203578196 [0,1,0,0,0,0|1,0,1]=3 157 B5R0.3 NCC(O)CF Z2311274712 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.3 NNC(=S)NN Z56823019 [0,1,0,0,0,0|1,1,0]=3 159 B5R0.3 O=C(CO)CO Z1255442144 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,1,0,0,0,0|3,0,0]=4 161 B5R0.4 CC(C)(C)CN Z291234094 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.4 CCC(C)(C)N Z104480062 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.4 CCS(=O)(=O)N Z54886646 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.4 CNS(=O)(=O)N Z56762361 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.4 COS(=O)(=O)N Z300238034 [0,1,0,0,0,0|3,0,0]=4 168 B5R0.4 CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|3,0,0]=4 169 B5R0.4 NCC(F)(F)Cl Z3208061227 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.4 NCC(F)(F)F Z235149257 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,1,0,0,0,0|3,0,0]=4 172 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.5 CC(=O)C(=O)O Z104495240 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.5 CC(=O)C(C)N Z1263529525 [0,1,0,0,0,0|1,0,0]=2 175 B5R0.5 CC(Br)C(=O)O Z57127555 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.5 CC(C)C(=N)N Z381357616 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.5 CC(C)C(=O)N Z57046209 [0,1,0,0,0,0|1,0,0]=2 178 B5R0.5 CC(C)C(=O)O Z104473380 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,1,0,0,0,0|3,0,0]=4 180 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.5 CC(N)C(=O)N Z54749436 [0,1,0,0,0,0|0,0,0]=1 183 B5R0.5 CC(N)C(=O)O Z57396987 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.5 CC(N)C(C)N Z2335631664 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.5 CC(O)C(=N)N Z2216711526 [0,1,0,0,0,0|2,0,0]=3 186 B5R0.5 CC(O)C(=O)N Z57206008 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.5 CC(S)C(=O)O Z104477082 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.5 CN(C)C(=N)N Z1839480548 [0,1,0,0,0,0|3,0,0]=4 189 B5R0.5 CN(C)C(=S)N Z56347524 [0,1,0,0,0,0|2,1,0]=4 190 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,1,0,0,0,0|0,0,0]=1 192 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,1,0,0,0,0|1,0,0]=2 193 B5R0.5 NC(=O)C(F)F Z33546481 [0,1,0,0,0,0|1,0,0]=2 194 B5R0.5 NC(=S)C(=S)N Z56347000 [0,1,0,0,0,0|0,1,1]=3 195 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.5 O=C(O)C(F)F Z104474070 [0,1,0,0,0,0|2,0,0]=3 198 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,1,0,0|2,0,1]=4 199 B5R1.2 NC1COC1 Z317054188 [0,0,0,1,0,0|2,0,1]=4 200 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,1,0,0|2,0,0]=3 201 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,1,0,0|1,0,2]=4 202 B5R1.4 CC1CC1N Z406520774 [0,0,0,1,0,0|2,0,1]=4 203 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,1,0,0|2,0,1]=4 204 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.2 C#CCCN Z1267881669 [1,1,0,0,0,0|1,0,1]=4 206 B4R0.2 CC#CCN Z1713595498 [1,1,0,0,0,0|1,0,1]=4 207 B4R0.2 CCCCN Z104474314 [1,1,0,0,0,0|1,0,1]=4 208 B4R0.2 CCCNN Z415728048 [1,1,0,0,0,0|1,0,1]=4 209 B4R0.2 CNCC#N Z1262250834 [1,1,0,0,0,0|0,0,2]=4 210 B4R0.2 N#CCCN Z1895741700 [1,1,0,0,0,0|0,0,2]=4 211 B4R0.2 NC/C=C/Cl Z2941400887 [1,1,0,0,0,0|1,0,0]=3 212 B4R0.2 NCC#CBr Z4442967693 [1,1,0,0,0,0|1,0,1]=4 213 B4R0.2 NCCCN Z104478068 [1,1,0,0,0,0|0,0,1]=3 214 B4R0.2 NCCCO Z56771034 [1,1,0,0,0,0|0,0,2]=4 215 B4R0.3 CS(=O)(=O)C Z417007936 [1,1,0,0,0,0|2,0,0]=4 216 B4R0.3 CS(=O)(=O)F Z361886230 [1,1,0,0,0,0|2,0,0]=4 217 B4R0.3 CS(=O)(=O)N Z54080282 [1,1,0,0,0,0|1,0,0]=3 218 B4R0.3 CS(=O)(=O)O Z281776238 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.1 C#CC(=O)OCC Z104478880 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.1 C#CCC(=O)OC Z1198160347 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.1 CCC(=O)COC Z825742020 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.1 CCCC(=O)CN Z1203579017 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.1 CCCC(=O)NO Z59181937 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.1 CCCC(N)CN Z425861040 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.1 CCNC(=N)NC Z1357224692 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.1 CCNC(=O)CN Z54747476 [0,2,0,0,0,0|0,0,0]=2 227 B6R0.1 CCNC(=O)CO Z431952024 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.1 CCNC(=S)NN Z56965890 [0,2,0,0,0,0|1,1,0]=4 229 B6R0.1 CCOC(=O)CN Z594038186 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.1 CCOC(=O)CO Z385458066 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.1 CCOC(=O)NN Z104478458 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.1 CCS(=O)CCN Z1266854910 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.1 CNC(=O)CC#N Z56945997 [0,2,0,0,0,0|0,0,1]=3 234 B6R0.1 CNC(=O)CCCl Z239813512 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.1 CNC(=O)CCN Z425449754 [0,2,0,0,0,0|0,0,0]=2 236 B6R0.1 CNC(=O)CCO Z975909370 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.1 CNCC(=O)NC Z57981096 [0,2,0,0,0,0|0,0,0]=2 238 B6R0.1 CNCC(=O)OC Z89264972 [0,2,0,0,0,0|1,0,0]=3 239 B6R0.1 COCC(N)CN Z1203580237 [0,2,0,0,0,0|0,0,2]=4 240 B6R0.1 CONC(=O)CCl Z234816732 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.1 N#CCC(=O)NN Z104474618 [0,2,0,0,0,0|0,0,1]=3 242 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,2,0,0,0,0|1,0,1]=4 243 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.2 CC(=O)CC(C)N Z57329385 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.2 CC(C)CC(=O)N Z33546511 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.2 CC(C)CC(=O)O Z104474910 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.2 CC(C)NC(=O)N Z56887677 [0,2,0,0,0,0|1,0,0]=3 254 B6R0.2 CC(C)NC(=S)N Z56979374 [0,2,0,0,0,0|1,1,0]=4 255 B6R0.2 CC(N)CC(=O)N Z594220690 [0,2,0,0,0,0|0,0,0]=2 256 B6R0.2 CC(N)CC(=O)O Z147647144 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.2 CN(C)CC(=O)N Z54750057 [0,2,0,0,0,0|0,0,0]=2 259 B6R0.2 CN(C)CC(=O)O Z235580496 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,2,0,0,0,0|0,0,0]=2 264 B6R0.2 N=C(N)NC(=N)N Z2574927435 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,2,0,0,0,0|0,0,0]=2 266 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,2,0,0,0,0|0,0,1]=3 268 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.3 C#CC(=O)N(C)C Z1509741471 [0,2,0,0,0,0|1,0,1]=4 270 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.3 CC(C)C(=O)NN Z56926537 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.3 CC(C)C(N)CN Z1266933925 [0,2,0,0,0,0|1,0,1]=4 275 B6R0.3 CC(CN)C(=O)O Z431542704 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.3 CC(CN)N(C)C Z367452450 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.3 CC(CO)C(=O)O Z431541400 [0,2,0,0,0,0|2,0,0]=4 278 B6R0.3 CC(O)C(N)CN Z1250080890 [0,2,0,0,0,0|0,0,2]=4 279 B6R0.3 CCC(C)C(=N)N Z823287482 [0,2,0,0,0,0|2,0,0]=4 280 B6R0.3 CCC(C)C(=O)N Z270978420 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.3 CCC(C)C(=O)O Z237374874 [0,2,0,0,0,0|2,0,0]=4 282 B6R0.3 CCC(N)C(=O)O Z104495144 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.3 CCC(O)C(=O)N Z965049008 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.3 CCC(O)C(=O)O Z246073650 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,2,0,0,0,0|1,0,0]=3 289 B6R0.3 CN(C)C(=N)CN Z220638406 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.3 CN(C)C(=O)CN Z54751082 [0,2,0,0,0,0|0,0,0]=2 291 B6R0.3 CN(C)C(=O)CO Z431952018 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,2,0,0,0,0|1,0,1]=4 293 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.3 CNC(=O)C(C)N Z105197440 [0,2,0,0,0,0|0,0,0]=2 295 B6R0.3 CNC(=O)C(C)O Z431951884 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.3 CNC(=O)C(F)F Z32016385 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,2,0,0,0,0|0,0,0]=2 298 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,2,0,0,0,0|0,0,0]=2 299 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,2,0,0,0,0|0,0,0]=2 301 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.3 COC(=O)C(C)N Z56968898 [0,2,0,0,0,0|1,0,0]=3 303 B6R0.3 COC(C)C(=N)N Z1365534351 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.3 COC(C)C(=O)C Z447898138 [0,2,0,0,0,0|2,0,0]=4 305 B6R0.3 COC(C)C(=O)N Z223645218 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.3 COC(C)C(=O)O Z316258898 [0,2,0,0,0,0|2,0,0]=4 307 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.3 CSC(C)C(=O)O Z149191750 [0,2,0,0,0,0|2,0,0]=4 309 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,2,0,0,0,0|0,0,1]=3 310 B6R0.3 NC(CO)C(=O)O Z57396986 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.3 NC(CS)C(=O)O Z966690626 [0,2,0,0,0,0|1,0,0]=3 312 B6R0.3 NCC(=C(Cl)Cl)Cl Z1945984228 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,2,0,0,0,0|0,0,1]=3 314 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,2,0,0,0,0|0,0,0]=2 315 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,2,0,0,0,0|1,0,1]=4 317 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,2,0,0,0,0|2,0,0]=4 321 B6R0.4 C#CCCC(=O)O Z295890062 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.4 C#CCNC(=N)N Z1737940712 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.4 C#CCNC(=O)C Z220957448 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.4 C#CCNC(=O)N Z198194920 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.4 C#CCOC(=O)N Z1203578973 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.4 C#CCSC(=N)N Z2805877169 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.4 C=CCCC(=O)C Z406376894 [0,2,0,0,0,0|2,0,0]=4 328 B6R0.4 C=CCCC(=O)O Z995028722 [0,2,0,0,0,0|2,0,0]=4 329 B6R0.4 C=CCNC(=O)C Z32064466 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.4 C=CCNC(=O)N Z56904662 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.4 C=CCNC(=S)N Z56911918 [0,2,0,0,0,0|1,1,0]=4 332 B6R0.4 CC(=O)CCC#N Z1251352415 [0,2,0,0,0,0|1,0,1]=4 333 B6R0.4 CC(=O)NCCCl Z57983106 [0,2,0,0,0,0|2,0,0]=4 334 B6R0.4 CC(=O)OCCN Z1973465551 [0,2,0,0,0,0|1,0,0]=3 335 B6R0.4 CC(N)CCCN Z2230911100 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,2,0,0,0,0|2,0,0]=4 337 B6R0.4 CCC#CC(=O)O Z1205493735 [0,2,0,0,0,0|2,0,0]=4 338 B6R0.4 CCCCC(=N)N Z1723418909 [0,2,0,0,0,0|2,0,0]=4 339 B6R0.4 CCCCC(=O)N Z104476278 [0,2,0,0,0,0|1,0,0]=3 340 B6R0.4 CCCCC(=O)O Z104473312 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.4 CCCNC(=O)C Z33030314 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.4 CCCNC(=S)N Z56930715 [0,2,0,0,0,0|1,1,0]=4 343 B6R0.4 CCCOC(=O)N Z1198148877 [0,2,0,0,0,0|1,0,0]=3 344 B6R0.4 CCNCC(=O)N Z1459435506 [0,2,0,0,0,0|0,0,0]=2 345 B6R0.4 CCNCC(=O)O Z744593094 [0,2,0,0,0,0|1,0,0]=3 346 B6R0.4 CCOCC(=O)O Z104495232 [0,2,0,0,0,0|2,0,0]=4 347 B6R0.4 CNCCC(=O)C Z1536943318 [0,2,0,0,0,0|1,0,0]=3 348 B6R0.4 COCCC(=N)N Z1592042674 [0,2,0,0,0,0|2,0,0]=4 349 B6R0.4 COCCC(=O)C Z362119682 [0,2,0,0,0,0|2,0,0]=4 350 B6R0.4 COCCC(=O)N Z394696458 [0,2,0,0,0,0|1,0,0]=3 351 B6R0.4 COCCC(=O)O Z285184634 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.4 CSCCC(=N)N Z1266823407 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.4 CSCCC(=O)O Z54719251 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.4 N#CCCC(=N)N Z3771050569 [0,2,0,0,0,0|1,0,1]=4 355 B6R0.4 N#CCCC(=O)N Z57160408 [0,2,0,0,0,0|0,0,1]=3 356 B6R0.4 N#CCNC(=O)N Z600498544 [0,2,0,0,0,0|0,0,1]=3 357 B6R0.4 N=C(N)NCCN Z2235813444 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.4 N=C(N)NCCO Z911465228 [0,2,0,0,0,0|2,0,0]=4 359 B6R0.4 N=C(N)SCCO Z57111959 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.4 NC(=O)CCCO Z1203578394 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.4 NC(=O)NCCF Z1203582184 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.4 NC(=O)OCCO Z1198158440 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.4 NCCCC(=O)N Z398513418 [0,2,0,0,0,0|0,0,0]=2 364 B6R0.4 NCCCC(=O)O Z104475620 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.4 NCCCS(=O)O Z1203579399 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.4 NCCNC(=O)N Z1268152381 [0,2,0,0,0,0|0,0,0]=2 367 B6R0.4 NCCOC(=O)N Z1587257433 [0,2,0,0,0,0|0,0,0]=2 368 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,2,0,0,0,0|2,0,0]=4 369 B6R0.4 O=C(O)C#CCO Z1198169479 [0,2,0,0,0,0|2,0,0]=4 370 B6R0.4 O=C(O)CCCS Z147642510 [0,2,0,0,0,0|2,0,0]=4 371 B6R0.5 CC(C)(N)CCN Z2218555716 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,2,0,0,0,0|1,0,0]=3 375 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.8 CCC(C)(N)CN Z425861002 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.8 CNC(C)(C)CN Z1511495256 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.9 CNC(=NN)NC Z1601562190 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|1,0,0]=3 382 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,2,0,0,0,0|1,1,0]=4 385 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,2,0,0,0,0|2,0,0]=4 386 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|0,0,0]=2 387 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|1,0,0]=3 388 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,2,0,0,0,0|2,0,0]=4 390 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,2,0,0,0,0|2,0,0]=4 391 B6R0.7 N=C(N)C(Cl)(Cl)Cl Z87001302 [0,2,0,0,0,0|2,0,0]=4 392 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [0,2,0,0,0,0|1,0,0]=3 393 B6R0.7 NS(=O)(=O)C(F)F Z335450076 [0,2,0,0,0,0|2,0,0]=4 394 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,2,0,0,0,0|2,0,0]=4 395 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,2,0,0,0,0|2,0,0]=4 396 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,2,0,0,0,0|2,0,0]=4 397 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,2,0,0,0,0|2,0,0]=4 398 B6R0.7 O=C([O-])C(F)(Cl)Cl Z56772166 [0,2,0,0,0,0|2,0,0]=4 399 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,1,0,0|2,0,0]=4 400 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,1,0,0|1,0,1]=4 401 B6R1.2 CC1=CCNC1 Z1203734447 [0,1,0,1,0,0|2,0,0]=4 402 B6R1.2 CC1=NCCN1 Z204020260 [0,1,0,1,0,0|2,0,0]=4 403 B6R1.2 CC1CNNC1 Z4953319766 [0,1,0,1,0,0|1,0,1]=4 404 B6R1.2 N=C1CCCN1 Z204007506 [0,1,0,1,0,0|2,0,0]=4 405 B6R1.2 NC1=CNC=N1 Z3241270014 [0,1,0,1,0,0|1,0,1]=4 406 B6R1.2 NC1=CNN=N1 Z1964347651 [0,1,0,1,0,0|1,0,1]=4 407 B6R1.2 NC1=NCCO1 Z336087916 [0,1,0,1,0,0|1,0,1]=4 408 B6R1.2 NC1=NNC=C1 Z240126818 [0,1,0,1,0,0|1,0,1]=4 409 B6R1.2 NC1=NNCC1 Z1569708704 [0,1,0,1,0,0|1,0,0]=3 410 B6R1.2 O=C1C=CCO1 Z1219048777 [0,1,0,1,0,0|2,0,0]=4 411 B6R1.2 O=C1C=CNN1 Z1198154338 [0,1,0,1,0,0|0,0,1]=3 412 B6R1.2 O=C1C=CSN1 Z1741980421 [0,1,0,1,0,0|1,0,1]=4 413 B6R1.2 O=C1CCCN1 Z104472846 [0,1,0,1,0,0|1,0,0]=3 414 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,1,0,0|1,0,0]=3 415 B6R1.2 O=C1CCNN1 Z2935001239 [0,1,0,1,0,0|0,0,0]=2 416 B6R1.2 O=C1CCSC1 Z104495638 [0,1,0,1,0,0|2,0,0]=4 417 B6R1.2 O=C1NC=CN1 Z1198148260 [0,1,0,1,0,0|1,0,1]=4 418 B6R1.2 O=C1NC=CS1 Z445210514 [0,1,0,1,0,0|1,0,1]=4 419 B6R1.2 O=C1NCCN1 Z104494954 [0,1,0,1,0,0|1,0,0]=3 420 B6R1.2 O=C1NCCO1 Z104474784 [0,1,0,1,0,0|1,0,0]=3 421 B6R1.2 O=C1NCCS1 Z55928860 [0,1,0,1,0,0|1,0,0]=3 422 B6R1.2 O=C1OCCO1 Z1172235744 [0,1,0,1,0,0|2,0,0]=4 423 B6R1.2 SC1=NCCN1 Z104497392 [0,1,0,1,0,0|1,1,0]=4 424 B6R1.5 CN1CC(C1)N Z1741969265 [0,1,0,1,0,0|1,0,1]=4 425 B6R1.5 NC1CC(C1)N Z1511513968 [0,1,0,1,0,0|1,0,1]=4 426 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,1,0,1,0,0|1,0,1]=4 427 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,1,0,0|2,0,0]=4 428 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,1,0,0|2,0,0]=4 429 B6R1.11 N=C(N)C1CC1 Z935140732 [0,1,0,1,0,0|2,0,0]=4 430 B6R1.6 NCC1CNC1 Z1198274908 [0,1,0,1,0,0|1,0,1]=4