0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(C)C(=N)N Z823287482 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.3 CCC(O)C(C)O Z1251352132 [0,0,0,0,0,0|1,0,3]=4 12 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.3 CN(C)C(=O)CN Z54751082 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 CN(C)C(=O)CO Z431952018 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CNC(=O)C(C)N Z105197440 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 CNC(=O)C(C)O Z431951884 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.3 CNC(=O)C(F)F Z32016385 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 COC(=O)C(C)N Z56968898 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.3 NCC(=C(Cl)Cl)Cl Z1945984228 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|1,0,0]=1 43 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,3]=4 44 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,1]=2 45 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,1]=2 51 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 NCC=C(Cl)Cl Z2469606492 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 NCC=C(F)F Z4511316967 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.3 C=C(CC)CN Z2238934536 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.3 CCC(=O)CC Z104476878 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.3 CCC(=O)CN Z1203579016 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.3 CCC(=O)NN Z56886418 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|0,0,3]=4 78 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 CCN(C)N=O Z1198147516 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.3 CNC(=O)CCl Z56891219 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 CNC(=O)CN Z57981102 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.3 CNC(=O)CS Z1203730878 [1,0,0,0,0,0|1,1,1]=4 86 B5R0.3 COC(=O)CN Z57042020 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 N=C(CN)NO Z223781376 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.3 NCC(=O)CN Z1198147360 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 O=C(CO)CO Z1255442144 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|0,0,0]=1 94 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|0,1,1]=3 104 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|0,0,3]=4 111 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|1,0,1]=3 116 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|1,0,1]=3 133 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|0,0,2]=3 139 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|1,0,1]=3 141 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.10 CCC(=O)C(C)C#N Z385381340 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.10 CNC(=O)N(C)N=O Z1198155659 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.10 OC/C(=C(\I)/CO)/I Z2943434815 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|1,0,1]=3 173 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|0,0,2]=3 174 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|0,0,3]=4 180 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|0,0,2]=3 182 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|0,1,1]=3 183 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|1,0,1]=3 190 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|0,1,1]=3 197 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|1,0,1]=3 199 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.16 CC(Cl)C(=O)N(C)C Z104378282 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|1,0,1]=3 202 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,1]=3 207 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,1]=3 208 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,1]=3 211 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|1,0,1]=3 218 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|1,1,1]=4 219 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|1,1,1]=4 221 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|1,1,1]=4 222 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,1]=3 227 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,1]=3 228 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|1,0,1]=3 231 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|1,0,1]=3 232 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|1,0,1]=3 238 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|1,0,1]=3 240 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|0,0,2]=3 241 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,0,0,0,0,1|1,0,2]=4 242 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,0,0,0,0,1|2,0,0]=3 243 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|2,0,1]=4 244 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|1,0,0]=2 245 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,1|1,0,0]=2 246 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|1,0,1]=3 247 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,1|2,0,1]=4 248 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|1,0,1]=3 249 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|2,0,0]=3 250 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,0,0,0,0,1|3,0,0]=4 251 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,0,1|1,0,0]=2 252 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,0,0,0,0,1|2,0,0]=3 253 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,0,0,0,0,1|3,0,0]=4 254 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|2,0,1]=4 255 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,0,0,0,0,1|2,0,0]=3 256 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,0,0,0,0,1|2,0,0]=3 257 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,1|1,0,2]=4 258 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,1|1,0,2]=4 259 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,1|1,0,2]=4 260 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 261 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,1]=3 265 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|0,0,0]=2 266 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 268 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 271 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 272 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 273 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,1]=4 280 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 285 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,2]=4 286 B4R0.2 NC/C=C/Cl Z2941400887 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,1]=3 290 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 294 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|0,0,1]=3 297 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|0,0,2]=4 298 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|0,0,1]=3 300 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,1]=3 304 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|0,0,1]=3 307 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|0,0,1]=3 309 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|0,0,2]=4 312 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,2]=4 313 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,0]=2 316 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|0,0,1]=3 317 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,1]=3 319 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,1]=3 323 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|0,0,1]=3 324 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,1]=3 328 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,0,1]=3 329 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,1]=3 330 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,1]=4 334 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,1]=3 335 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,1]=3 339 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,2]=4 340 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,1]=3 341 B6R0.8 C=CS(=O)(=O)CC Z448248158 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,1|1,0,0]=3 347 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,1|1,0,1]=4 348 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,1|1,0,1]=4 349 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,1|1,0,1]=4 350 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,1|1,0,1]=4 351 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,1|1,0,1]=4 352 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,1|0,0,2]=4 353 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,1|1,0,1]=4 354 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,1|1,0,1]=4 355 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,1,0,0,0,1|2,0,0]=4 356 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,1|1,0,1]=4 357 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,0,0,0,1|1,0,0]=3 358 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,1|1,0,1]=4 359 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,0,0,0,1|0,0,2]=4 360 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,0,0,0,1|2,0,0]=4 361 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,1,0,0,0,1|1,0,1]=4 362 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,1|1,0,1]=4 363 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,1,0,0,0,1|1,0,0]=3 364 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,1,0,0,0,1|1,1,0]=4 365 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [0,1,0,0,0,1|1,0,1]=4 366 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,1,0,0,0,1|1,0,0]=3 367 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,1|1,0,1]=4 368 B8R0.5 NC(=O)NC(=O)CCCl Z196931012 [0,1,0,0,0,1|1,0,0]=3 369 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,1,0,0,0,1|1,0,0]=3 370 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,0,1|1,0,1]=4 371 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|1,0,1]=4 372 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,1,0,0,0,1|2,0,0]=4 373 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,1,0,0,0,1|2,0,0]=4 374 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,1,0,0,0,1|2,0,0]=4 375 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,1,0,0,0,1|1,0,0]=3 376 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,1,0,0,0,1|1,0,0]=3 377 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,0,1|1,0,0]=3 378 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,0,1|2,0,0]=4 379 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|1,0,1]=4 380 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|1,0,1]=4 381 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|2,0,0]=4 382 B8R0.23 CC(Cl)C(=O)NC(=O)N Z56915885 [0,1,0,0,0,1|1,0,0]=3 383 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|1,0,0]=3 384 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,1|1,0,1]=4 385 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,1|1,0,1]=4 386 B8R0.34 CCS(=O)(=O)CC(=O)C Z1192378722 [0,1,0,0,0,1|2,0,0]=4 387 B8R0.34 CCS(=O)(=O)CC(=O)N Z417003926 [0,1,0,0,0,1|2,0,0]=4 388 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,1,0,0,0,1|1,0,0]=3 389 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,1,0,0,0,1|2,0,0]=4 390 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,1]=4 392 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|1,0,1]=4 398 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|0,0,2]=4 401 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|1,0,1]=4 402 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|1,0,1]=4 403 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|0,0,2]=4 409 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|1,0,1]=4 416 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|0,0,2]=4 419 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|1,0,1]=4 420 B8R0.12 CCOP(=O)([O-])C(=O)[O-] Z1726084881 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|0,0,2]=4 424 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,2,0,0,0,0|1,0,1]=4 426 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|1,0,1]=4 427 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|0,0,2]=4 429 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|0,0,2]=4 431 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|0,0,2]=4 432 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|1,0,1]=4 434 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|1,0,1]=4 435 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|0,0,2]=4 436 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|1,0,1]=4 441 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|0,0,2]=4 442 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|0,0,2]=4 444 B8R0.27 C=C(C(=O)O)C(F)(F)F Z826034004 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|0,0,0]=2 448 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|0,0,2]=4 450 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|1,0,1]=4 451 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|0,0,2]=4 453 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|1,0,1]=4 457 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|0,0,2]=4 458 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|0,1,1]=4 461 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,1]=3 463 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,0]=3 466 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 467 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|1,0,1]=4 470 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [0,0,0,1,0,1|2,0,0]=4 471 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,0,0,1,0,1|2,0,0]=4 472 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,0,0,1,0,1|1,1,0]=4 473 B8R1.1 CCC1=NOC(=C1)N Z360168622 [0,0,0,1,0,1|2,0,0]=4 474 B8R1.1 CCC1=NOC(=N1)N Z991477732 [0,0,0,1,0,1|2,0,0]=4 475 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,0,0,1,0,1|2,0,0]=4 476 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,0,0,1,0,1|2,0,0]=4 477 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,1,0,1|2,0,0]=4 478 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,1|1,0,1]=4 479 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,0,0,1,0,1|2,0,0]=4 480 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,0,0,1,0,1|1,0,0]=3 481 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,0,0,1,0,1|1,0,0]=3 482 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,0,0,1,0,1|0,1,0]=3 483 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,0,0,1,0,1|2,0,0]=4 484 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,0,1,0,1|2,0,0]=4 485 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,0,0,1,0,1|2,0,0]=4 486 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,0,0,1,0,1|2,0,0]=4 487 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,0,0,1,0,1|1,0,0]=3 488 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,0,0,1,0,1|1,0,0]=3 489 B8R1.18 CC1SC(=NC1=O)N Z57104427 [0,0,0,1,0,1|1,1,0]=4 490 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,0,0,1,0,1|2,0,0]=4 491 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,0,0,1,0,1|2,0,0]=4 492 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,0,0,1,0,1|2,0,0]=4 493 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,0,1|2,0,0]=4 494 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,1|1,0,1]=4 495 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,1|1,0,0]=3 496 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,1,0,1|1,0,1]=4 497 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,1,0,1|1,0,0]=3 498 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,1|1,0,1]=4 499 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,1,0,1|2,0,0]=4 500 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,1|1,0,1]=4 501 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,1|1,0,1]=4 502 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|0,1,0]=3 506 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|0,0,1]=3 507 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|0,0,1]=3 508 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|0,1,1]=4 512 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|0,0,2]=4 514 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|0,0,2]=4 515 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|0,1,1]=4 516 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|0,1,1]=4 518 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|0,0,2]=4 519 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|0,1,1]=4 520 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|0,0,2]=4 535 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|0,0,2]=4 542 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|0,0,2]=4 543 B8R1.11 CCC1=NON=C1N Z359374178 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.25 O=C1C(=O)C(=C1O)O Z56347217 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|0,0,2]=4 558 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|0,0,2]=4 561 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|0,0,1]=3 562 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|1,0,1]=4 563 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [0,0,0,0,0,2|2,0,0]=4 564 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,2|0,0,0]=2 565 B8R0.9 CCC(=O)NC=C(Cl)Cl Z57906704 [0,0,0,0,0,2|2,0,0]=4 566 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,2|0,0,0]=2 567 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,2|1,0,1]=4 568 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,2|1,0,1]=4 569 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,2|1,0,1]=4 570 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,0,0,0,2|2,0,0]=4 571 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,0,0,0,0,2|1,0,0]=3 572 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,0,0,0,0,2|2,0,0]=4 573 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,0,0,0,0,2|1,0,0]=3 574 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,0,0,0,0,2|1,0,0]=3 575 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,0,0,0,0,2|1,0,0]=3 576 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,0,0,0,0,2|1,0,0]=3 577 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,0,0,0,0,2|1,0,0]=3 578 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,0,0,0,0,2|1,0,0]=3