0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC(C)C(N)CN Z1266933925 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC(O)C(N)CN Z1250080890 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(C)C(=N)N Z823287482 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 CCC(C)C(C)N Z335455612 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.3 CCC(N)C(C)C Z823287438 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 CCC(O)C(C)C Z445987082 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CCC(O)C(C)O Z1251352132 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|0,0,0]=0 19 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|0,0,0]=0 21 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 COC(C)C(=N)N Z1365534351 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.3 CSC(C)C(C)O Z1273036711 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|1,0,0]=1 38 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|1,0,0]=1 39 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|1,0,0]=1 40 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,2]=3 42 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,2]=3 43 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,0]=1 51 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.3 C#CC(N)CO Z2235790715 [1,0,0,0,0,0|0,0,3]=4 81 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.3 CC(CN)CO Z406342068 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 CC(CO)CS Z1262475362 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|0,0,1]=2 90 B5R0.3 CCC(O)C#N Z419078094 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.3 CCC(O)CN Z419084746 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.3 CCN(C)N=O Z1198147516 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|0,0,1]=2 97 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|0,0,1]=2 98 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 CSC(C)CO Z1273053291 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.3 N#CC(N)CO Z2301438409 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.3 NCC(N)CN Z1203578196 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,2]=4 106 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,0]=2 115 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|1,0,0]=2 116 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|0,0,0]=1 117 B5R0.5 CC(N)C(C)N Z2335631664 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.5 CC(O)C(C)O Z104473532 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,0]=2 122 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|0,0,0]=1 123 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|1,0,0]=2 124 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|0,0,0]=1 125 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,0]=3 129 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|0,0,1]=2 132 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|0,0,1]=2 133 B7R0.5 CC(C)C(N)CCO Z979743766 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|0,0,0]=1 139 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|0,0,0]=1 140 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|0,0,0]=1 141 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.5 CNCC(N)C(C)C Z756920458 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|0,0,0]=1 151 B7R0.5 COCC(N)C(C)C Z825742262 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|0,0,0]=1 154 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|0,0,0]=1 156 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|0,0,0]=1 158 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|0,0,0]=1 160 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|0,0,0]=1 161 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.10 CCC(C)C(O)CN Z802901690 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|3,0,0]=4 174 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|1,0,0]=2 177 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,0,0|1,0,2]=4 183 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|0,0,0]=1 198 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|2,0,0]=3 201 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.14 CCC(N)C(C)(F)F Z4077526422 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.14 CC[C@H](N)C(F)(F)F Z1809367787 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|0,0,1]=2 209 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,1,0,0,0,0|2,1,0]=4 212 B7R0.15 CCC(CN)C(C)C Z608350088 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.15 CCC(CN)N(C)C Z367678736 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|0,0,0]=1 216 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|1,0,0]=2 218 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|1,0,0]=2 221 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.15 COC(OC)C(=O)N Z56754520 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|1,0,0]=2 224 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|1,0,0]=2 231 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,0]=2 232 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|0,0,0]=1 234 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,0,0]=2 235 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|1,0,0]=2 236 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|0,0,0]=1 237 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|0,0,0]=1 238 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|1,0,0]=2 239 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,0]=2 240 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|0,0,0]=1 243 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|0,0,0]=1 244 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|0,0,0]=1 246 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|2,0,1]=4 248 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|1,0,1]=3 249 B7R1.4 C=C1COCC1N Z3066568668 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.4 CC1SCCC1N Z2408712737 [0,0,0,1,0,0|1,1,1]=4 255 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|2,0,1]=4 259 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|1,0,1]=3 260 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|0,0,0]=1 261 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|0,1,0]=2 262 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|1,0,0]=2 264 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|1,0,1]=3 265 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|1,0,1]=3 267 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|0,1,0]=2 268 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|1,0,1]=3 271 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|0,1,0]=2 272 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|2,0,0]=3 275 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,0]=2 279 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.17 CC1(CCC1N)C Z1813195196 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.18 FC(F)C1CCN1 Z2230912640 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|1,0,0]=2 287 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|0,0,0]=1 288 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|1,0,0]=2 292 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|3,0,0]=4 293 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|1,0,0]=2 297 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|1,0,0]=2 298 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|0,0,0]=1 299 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|1,0,0]=2 300 B7R1.30 C[C@@H]1[C@H](C1(F)F)N Z4196355975 [0,0,0,1,0,0|2,0,1]=4 301 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|2,0,0]=3 302 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|1,0,1]=3 303 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,1|2,0,1]=4 304 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|1,0,0]=2 305 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,1|2,0,0]=3 306 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,0,0,0,0,1|2,1,0]=4 307 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|0,0,0]=1 308 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|2,0,0]=3 309 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,0,1|2,0,1]=4 310 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,0,1|3,0,0]=4 311 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|2,0,0]=3 312 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,1|2,0,0]=3 313 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,1|2,0,0]=3 314 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,1|2,0,0]=3 315 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 316 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 317 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 318 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,0]=3 319 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 320 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 321 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|1,0,1]=4 324 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|1,0,1]=4 325 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 327 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|1,0,1]=4 328 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|0,0,1]=3 329 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 330 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|0,1,1]=4 331 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|0,0,1]=3 332 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,0]=3 333 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|1,0,1]=4 335 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|1,0,1]=4 337 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|0,0,1]=3 338 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 339 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|1,0,1]=4 344 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|1,0,1]=4 345 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,1]=4 346 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,0]=3 347 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|0,0,0]=2 348 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 350 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 351 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 352 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 353 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,1]=3 354 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,1]=4 358 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 360 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,0]=2 363 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 375 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|0,0,2]=4 376 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|0,0,1]=3 377 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|0,0,2]=4 378 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,0]=2 383 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|0,0,0]=2 386 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|0,0,0]=2 391 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|0,0,1]=3 394 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,1]=3 396 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,1]=3 401 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|0,0,1]=3 402 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,0]=3 405 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,0]=2 406 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,1,0]=4 408 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,0]=3 409 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,0]=3 410 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,0]=2 411 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|0,0,0]=2 413 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 414 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,0]=3 417 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,0]=2 419 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,0,2]=4 421 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,0]=2 423 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,1]=4 424 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,0]=3 425 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|2,0,0]=4 426 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,0]=3 428 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,0]=2 429 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,2]=4 433 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,2]=4 434 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,0]=2 435 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.8 CCC(C)(C)CO Z995039230 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.8 CCC(C)(N)CC Z1267881628 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.8 CCC(C)(N)CN Z425861002 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.8 CCC(C)(N)CO Z734150850 [1,1,0,0,0,0|0,0,1]=3 442 B6R0.9 C#CC(CC)CN Z5851994475 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.9 CCC(C#N)NC Z2472860014 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.9 CCC(CC)NC Z1262254286 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.9 CCC(CN)OC Z2168541798 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.9 CCC(CO)CO Z1198261463 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.9 CCC(CO)OC Z1255373272 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.9 CNC(CO)CO Z1939437574 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|1,0,0]=3 454 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|0,0,0]=2 455 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,0]=3 456 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [1,1,0,0,0,0|2,0,0]=4 461 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,1|2,0,0]=4 462 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,1|1,0,1]=4 463 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,1|1,0,0]=3 464 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,1|1,0,0]=3 465 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,1|2,0,0]=4 466 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,1|1,0,0]=3 467 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,1|1,0,0]=3 468 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,1|1,0,0]=3 469 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,1|1,0,0]=3 470 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,1|1,0,0]=3 471 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,1|1,0,0]=3 472 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,1|2,0,0]=4 473 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,1|2,0,0]=4 474 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,1|2,0,0]=4 475 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,1|2,0,0]=4 476 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,1|1,0,0]=3 477 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,0,0,0,1|1,0,1]=4 478 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,1|1,0,0]=3 479 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,0,0,0,1|1,0,0]=3 480 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,0,0,0,1|2,0,0]=4 481 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,1|1,0,0]=3 482 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,1,0,0,0,1|1,0,1]=4 483 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,1|1,0,0]=3 484 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,1,0,0,0,1|2,0,0]=4 485 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,1,0,0,0,1|1,0,1]=4 486 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,0,1|1,0,0]=3 487 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|0,0,0]=2 488 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,1,0,0,0,1|2,0,0]=4 489 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,0,1|1,0,0]=3 490 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [0,1,0,0,0,1|2,0,0]=4 491 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,1,0,0,0,1|1,0,1]=4 492 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,1,0,0,0,1|2,0,0]=4 493 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|1,0,0]=3 494 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|0,0,0]=2 495 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|2,0,0]=4 496 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|2,0,0]=4 497 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,1|2,0,0]=4 498 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,1|1,0,1]=4 499 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,1|1,0,1]=4 500 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,1|1,0,1]=4 501 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,1|1,0,1]=4 502 B8R0.24 CCC(N)CS(=O)(=O)C Z3015223301 [0,1,0,0,0,1|1,0,1]=4 503 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,1,0,0,0,1|2,0,0]=4 504 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,1,0,0,0,1|2,0,0]=4 505 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,1|1,0,0]=3 506 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,1,0,0,0,1|2,0,0]=4 507 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,1,0,0,0,1|2,0,0]=4 508 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,0,1|2,0,0]=4 509 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|0,0,1]=3 510 B8R0.3 CCC(C)C(=O)CC#N Z360167402 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|1,0,0]=3 513 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|0,0,0]=2 514 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|0,0,0]=2 515 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|0,0,0]=2 524 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|0,0,0]=2 525 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|1,0,1]=4 526 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|0,0,0]=2 527 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|2,0,0]=4 528 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|1,0,0]=3 529 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|0,0,0]=2 530 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,2,0,0,0,0|1,0,1]=4 531 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|0,0,0]=2 533 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|0,0,0]=2 534 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|1,0,0]=3 535 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|0,0,0]=2 536 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|1,0,0]=3 537 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|0,0,0]=2 538 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|0,0,0]=2 539 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|1,0,0]=3 540 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|0,0,0]=2 541 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|0,0,0]=2 542 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|0,0,0]=2 544 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|0,0,0]=2 545 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|0,0,0]=2 546 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|0,0,0]=2 547 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|1,0,1]=4 548 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|1,0,0]=3 549 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,2,0,0,0,0|1,0,1]=4 550 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|0,0,0]=2 551 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|0,0,0]=2 553 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,2,0,0,0,0|1,0,0]=3 557 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|0,0,0]=2 558 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|1,0,0]=3 559 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|1,0,0]=3 560 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,2,0,0,0,0|1,0,0]=3 561 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|0,0,0]=2 563 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|1,0,0]=3 564 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|0,0,0]=2 565 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|1,0,0]=3 566 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|1,0,0]=3 567 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|0,0,0]=2 568 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|0,0,0]=2 570 B8R0.13 COC(=O)C(C)(C)CN Z1415893842 [0,2,0,0,0,0|2,0,0]=4 571 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|0,0,0]=2 572 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|1,0,0]=3 573 B8R0.20 CCC(N)C(OC)OC Z1860991708 [0,2,0,0,0,0|0,0,2]=4 574 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|0,0,0]=2 575 B8R0.20 COC(=O)C(CBr)CBr Z963753264 [0,2,0,0,0,0|2,0,0]=4 576 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|1,0,0]=3 577 B8R0.20 COC(=O)C(OC)OC Z1013699654 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,2,0,0,0,0|1,0,1]=4 579 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|0,0,1]=3 580 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|0,0,0]=2 582 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,2,0,0,0,0|1,0,1]=4 583 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|0,0,0]=2 584 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,2,0,0,0,0|1,0,0]=3 585 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [0,2,0,0,0,0|2,0,0]=4 586 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|1,0,1]=4 590 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,2,0,0,0,0|1,0,0]=3 591 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|0,0,0]=2 592 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|1,0,0]=3 593 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|1,0,0]=3 595 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|1,0,0]=3 596 B8R0.27 CC(C(=O)O)C(F)(F)F Z1205494054 [0,2,0,0,0,0|2,0,0]=4 597 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|2,0,0]=4 598 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|1,0,1]=4 599 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|0,0,0]=2 600 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|1,0,0]=3 601 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|1,0,0]=3 602 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|0,0,0]=2 603 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|1,0,0]=3 604 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|1,0,0]=3 605 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|0,0,0]=2 606 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|0,0,0]=2 607 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|0,0,0]=2 608 B8R0.27 CC(O)C(O)P(=O)(O)O Z2050515563 [0,2,0,0,0,0|2,0,0]=4 609 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|2,0,0]=4 610 B8R0.27 NC(=O)C(N)C(F)(F)F Z2171028120 [0,2,0,0,0,0|2,0,0]=4 611 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.27 O=C(O)C(O)C(F)(F)F Z3225872563 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|0,0,0]=2 614 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|2,0,0]=4 616 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|0,0,0]=2 617 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|1,0,0]=3 618 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 619 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 620 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 621 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 622 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 623 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 625 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 626 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,0]=3 627 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 628 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 629 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 630 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|1,0,1]=4 631 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 632 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|1,0,1]=4 633 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,1]=4 634 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,0]=3 635 B6R1.7 C#CC1(CC1)N Z1203653659 [1,0,0,1,0,0|1,0,1]=4 636 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|1,0,0]=3 637 B6R1.7 CCC1(CC1)N Z2234631229 [1,0,0,1,0,0|1,0,1]=4 638 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|1,0,1]=4 639 B6R1.7 N#CC1(CC1)N Z1741972043 [1,0,0,1,0,0|1,0,1]=4 640 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,1,0,0|0,0,1]=3 641 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [1,0,0,1,0,0|1,0,1]=4 642 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [1,0,0,1,0,0|1,0,1]=4 643 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [0,0,0,1,0,1|1,0,1]=4 644 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,0,0,1,0,1|2,0,0]=4 645 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,1|2,0,0]=4 646 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,0,0,1,0,1|2,0,0]=4 647 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,0,0,1,0,1|1,0,1]=4 648 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,0,0,1,0,1|2,0,0]=4 649 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,0,0,1,0,1|2,0,0]=4 650 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,0,0,1,0,1|2,0,0]=4 651 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,0,0,1,0,1|2,0,0]=4 652 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,0,0,1,0,1|2,0,0]=4 653 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,0,0,1,0,1|2,0,0]=4 654 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,1|2,0,0]=4 655 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,1|2,0,0]=4 656 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,1|2,0,0]=4 657 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,0,0,1,0,1|1,0,1]=4 658 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,0,0,1,0,1|1,0,1]=4 659 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,0,0,1,0,1|1,0,1]=4 660 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,0,0,1,0,1|1,0,1]=4 661 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,1,0,1|2,0,0]=4 662 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,0,1|2,0,0]=4 663 B8R1.18 CC1CC(C(O1)C)N Z2719326610 [0,0,0,1,0,1|1,0,1]=4 664 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,0,0,1,0,1|1,0,1]=4 665 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,1|0,0,0]=2 666 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,1|1,0,1]=4 667 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,1,0,1|1,0,0]=3 668 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,1,0,1|2,0,0]=4 669 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,0,0,1,0,1|2,0,0]=4 670 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,1,0,1|1,0,1]=4 671 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,1|1,0,0]=3 672 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,1,0,1|2,0,0]=4 673 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,1|1,0,0]=3 674 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,1|2,0,0]=4 675 B8R1.51 NC1CCS(=O)(=O)C1 Z56998603 [0,0,0,1,0,1|1,0,1]=4 676 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,1|1,0,0]=3 677 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|0,0,2]=4 710 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|0,0,1]=3 711 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|1,0,1]=4 712 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|0,0,0]=2 714 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|0,0,0]=2 717 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|0,0,0]=2 718 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|0,0,0]=2 721 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|0,0,0]=2 722 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|0,0,0]=2 725 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|0,0,0]=2 726 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|0,0,0]=2 727 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|0,0,0]=2 728 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|0,0,0]=2 733 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|0,0,0]=2 739 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|0,0,0]=2 743 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|1,0,0]=3 747 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|0,0,0]=2 752 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|0,0,0]=2 753 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,1,0,1,0,0|1,0,1]=4 761 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.11 N#CC1CCCC1=O Z951172672 [0,1,0,1,0,0|1,0,1]=4 763 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|1,0,1]=4 764 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,1,0,1,0,0|1,0,1]=4 765 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.39 CC1(CC1)C(=O)CCl Z1395264728 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|0,0,0]=2 774 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.39 COC(C)C1(CC1)N Z5185499673 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.39 NC1(CC1)C(O)CO Z4280384138 [0,1,0,1,0,0|0,0,2]=4 777 B8R1.39 O=C(CCl)C1(CC1)Cl Z1198174332 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.39 O=C(CCl)C1(CC1)F Z1649763687 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|1,0,1]=4 780 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|0,0,0]=2 782 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|1,0,0]=3 787 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,1,0,0|0,0,1]=3 788 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|0,0,0]=2 790 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,1,0,1,0,0|2,0,0]=4 795 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|2,0,0]=4 796 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|2,0,0]=4 797 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,0,0,0,0,2|0,0,2]=4 798 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,0,0,0,0,2|2,0,0]=4 799 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,2|1,0,1]=4 800 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,2|1,0,1]=4 801 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,0,0,0,0,2|2,0,0]=4 802 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,2|1,0,0]=3 803 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,2|1,0,0]=3 804 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,2|1,0,0]=3 805 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,0,0,0,2|2,0,0]=4 806 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,0,2|2,0,0]=4 807 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,0,0,0,2|2,0,0]=4 808 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,2|1,0,0]=3