0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|1,0,1]=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|4,0,0]=4 8 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CCC(N)C(C)C Z823287438 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CCC(O)C(C)O Z1251352132 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|1,1,1]=3 35 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|0,1,2]=4 60 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|0,0,0]=1 61 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.3 C#CC(N)CO Z2235790715 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.3 CC(CN)CO Z406342068 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 CC(CO)CS Z1262475362 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.3 N#CC(N)CO Z2301438409 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.3 NCC(N)CN Z1203578196 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,0,1]=3 83 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|0,0,0]=1 93 B5R0.5 CC(N)C(C)N Z2335631664 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.5 CC(O)C(C)O Z104473532 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|0,0,0]=1 99 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|0,0,0]=1 101 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,0,0,0,0|2,1,0]=4 102 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|1,0,0]=2 104 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|1,1,0]=3 105 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|0,1,0]=2 123 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|1,1,1]=4 130 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|0,1,0]=2 139 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|1,1,0]=3 147 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|1,1,0]=3 149 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|1,0,0]=2 186 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,0]=2 193 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|2,0,1]=4 195 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.4 C=C1COCC1N Z3066568668 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|1,1,0]=3 202 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|1,1,0]=3 207 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|1,1,0]=3 211 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|1,0,0]=2 222 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.22 ClCC(Cl)C1CO1 Z1205657751 [0,0,0,1,0,0|2,0,1]=4 233 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,0,0,0,0,1|2,0,1]=4 234 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|2,0,0]=3 235 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|2,0,1]=4 236 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|2,0,0]=3 237 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,1|3,0,0]=4 238 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|1,0,0]=2 239 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|3,0,0]=4 240 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|3,0,0]=4 241 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,0,0,0,0,1|2,0,1]=4 242 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,1|2,0,0]=3 243 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,1|2,0,0]=3 244 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,1|2,0,0]=3 245 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 246 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 247 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 248 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,0]=3 249 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 250 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 251 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|0,1,1]=4 254 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 260 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 261 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|0,0,1]=3 268 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.1 N=C(N)CCl Z204878288 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|0,1,1]=4 275 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|0,1,1]=4 276 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|0,0,0]=2 279 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|0,1,0]=3 281 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 282 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,0]=3 301 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,1,0,0,0,0|0,0,2]=4 303 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|1,1,0]=4 327 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|1,0,1]=4 334 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.8 CCC(C)(N)CO Z734150850 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.9 CNC(CO)CO Z1939437574 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|0,0,0]=2 347 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [1,1,0,0,0,0|1,1,0]=4 352 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [1,1,0,0,0,0|1,1,0]=4 354 B6R0.7 O=C([O-])C(F)(Cl)Cl Z56772166 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,1|2,0,0]=4 356 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,1|2,0,0]=4 357 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,1|2,0,0]=4 358 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,1|2,0,0]=4 359 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,1|2,0,0]=4 360 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,1|2,0,0]=4 361 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,1|2,0,0]=4 362 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,1|2,0,0]=4 363 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,1|2,0,0]=4 364 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,1|2,0,0]=4 365 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,1|2,0,0]=4 366 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,1|2,0,0]=4 367 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,0,0,0,1|2,0,0]=4 368 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,1|2,0,0]=4 369 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,1|2,0,0]=4 370 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,0,1|2,0,0]=4 371 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|1,0,0]=3 372 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,0,1|2,0,0]=4 373 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,1,0,0,0,1|1,0,1]=4 374 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|2,0,0]=4 375 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|1,0,0]=3 376 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,1|1,0,1]=4 377 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,1|1,0,1]=4 378 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,1|1,0,1]=4 379 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,1|1,0,1]=4 380 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,1,0,0,0,1|2,0,0]=4 381 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,1,0,0,0,1|2,0,0]=4 382 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,1|2,0,0]=4 383 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,2,0,0,0,0|2,0,0]=4 388 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|0,1,0]=3 415 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.13 COC(=O)C(C)(C)CN Z1415893842 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|1,0,0]=3 437 B8R0.20 COC(=O)C(CBr)CBr Z963753264 [0,2,0,0,0,0|1,1,0]=4 438 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [0,2,0,0,0,0|1,1,0]=4 445 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,2,0,0,0,0|0,1,0]=3 449 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|1,1,0]=4 453 B8R0.27 CC(C(=O)O)C(F)(F)F Z1205494054 [0,2,0,0,0,0|1,1,0]=4 454 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|1,0,0]=3 455 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.27 NC(=O)C(N)C(F)(F)F Z2171028120 [0,2,0,0,0,0|1,1,0]=4 464 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,2,0,0,0,0|0,1,0]=3 465 B8R0.27 O=C(O)C(O)C(F)(F)F Z3225872563 [0,2,0,0,0,0|1,1,0]=4 466 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|2,0,0]=4 470 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 475 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.3 ClCCC1CO1 Z1205657512 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|1,0,1]=4 478 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.7 CC1(CO1)CCl Z1201618277 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,0,0,1,0,1|1,0,1]=4 483 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,0,0,1,0,1|2,0,0]=4 484 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,0,0,1,0,1|2,0,0]=4 485 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,0,0,1,0,1|2,0,0]=4 486 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,0,0,1,0,1|2,0,0]=4 487 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,0,0,1,0,1|2,0,0]=4 488 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,0,0,1,0,1|2,0,0]=4 489 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,1|1,0,0]=3 490 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,1,0,1|2,0,0]=4 491 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,1|2,0,0]=4 492 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,1|2,0,0]=4 493 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,1|2,0,0]=4 494 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,0,0,1,0,1|2,0,0]=4 495 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,1|2,0,0]=4 496 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,1,0,1,0,0|1,1,0]=4 558 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,1,0,1,0,0|1,0,0]=3 559 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,0,0,0,0,2|1,0,1]=4 560 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,0,0,0,0,2|2,0,0]=4 561 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,2|2,0,0]=4 562 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,2|2,0,0]=4 563 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,2|2,0,0]=4 564 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,2|1,0,0]=3