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[0,0,0,0,0,0|1,0,0]=1 17 B8R0.8 COCCC(N)C(C)C Z4913680141 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,0,0,0,0,0|1,1,0]=2 19 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,0,0,0,0,0|2,1,0]=3 20 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,0,0,0,0,0|1,1,0]=2 21 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,0,0,0,0,0|1,1,0]=2 22 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,0,0,0,0,0|0,0,0]=0 27 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.3 CCC(N)CCOC Z818738108 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.4 C#CCOCC(=O)O Z362807246 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.4 C#CCSCC(=O)O Z149151642 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 COCCCC(=N)N Z1267882086 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.4 COCCCC(C)O Z854048762 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 COCCNC(=O)N Z56904572 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|1,1,0]=3 52 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.4 N#CCSCC(=O)O Z19691779 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.4 NCCCOC(=O)N Z3337481796 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.4 NCCOCC(=O)N Z1428158847 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,0,0|1,0,1]=3 67 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.5 CC(C)C(N)CCO Z979743766 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.5 CC(CCN)S(=O)C Z1431460424 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|2,1,0]=4 81 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|1,1,0]=3 82 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|0,0,0]=1 84 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|0,0,0]=1 86 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|1,0,0]=2 87 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|0,0,0]=1 88 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|0,0,0]=1 89 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,0,0,0,0|2,0,0]=3 94 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,0,0|1,1,0]=3 96 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,0,0,0,0|1,0,0]=2 98 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,0,0|2,0,0]=3 100 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,0,0|2,0,0]=3 101 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,0,0|2,0,0]=3 102 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,1,0,0,0,0|2,0,0]=3 103 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,1,0,0,0,0|2,0,0]=3 104 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,1,0,0,0,0|2,1,0]=4 108 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|2,0,0]=3 110 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,1,0,0,0,0|2,0,0]=3 114 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,1,0,0,0,0|3,0,0]=4 115 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,1,0,0,0,0|2,0,0]=3 116 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,0,0,0,0|3,0,0]=4 117 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,0,0,0,0|3,0,0]=4 118 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,0,0,0,0|3,0,0]=4 119 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,0,0,0,0|2,0,0]=3 120 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,0,0,0,0|1,0,0]=2 121 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.47 COCCNC(C)C(=O)N Z1263820333 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,0,0,0,0|1,1,0]=3 125 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,0,0,0,0|1,0,0]=2 127 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,0,0,0,0|1,0,0]=2 128 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,1,0,0,0,0|2,0,0]=3 130 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,1,0,0,0,0|3,0,0]=4 131 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.5 NC1CCCCNC1=O Z281895050 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,1,0,0|2,0,1]=4 144 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,1,0,0|3,0,0]=4 147 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,1,0,0|3,0,0]=4 149 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,1,0,0|2,1,0]=4 155 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,1,0,0|1,1,0]=3 156 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.23 CN1CC(OC1=O)CN Z1623864195 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|2,0,0]=3 168 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|3,0,0]=4 169 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|3,0,0]=4 172 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|3,0,0]=4 173 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,0,0|3,0,0]=4 177 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,0,0,1,0,0|3,0,0]=4 181 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,0,1,0,0|3,0,0]=4 182 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,0,0,1,0,0|2,0,1]=4 183 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,0,1,0,0|2,0,0]=3 184 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,0,0,1,0,0|2,0,0]=3 187 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,0,1,0,0|3,0,0]=4 190 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,0,0,1,0,0|3,0,0]=4 192 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,0,0,1,0,0|3,0,0]=4 194 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,0,0,1,0,0|3,0,0]=4 195 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,0,0,1,0,0|3,0,0]=4 196 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,0,0,1,0,0|2,0,1]=4 199 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,0,0,1,0,0|2,0,0]=3 200 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,0,0,1,0,0|1,0,0]=2 201 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,0,0,1,0,0|1,1,0]=3 202 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,0,0,1,0,0|3,0,0]=4 203 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,0,0,1,0,0|2,0,0]=3 204 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,0,0,1,0,0|2,0,0]=3 205 B6R0.1 CC(CO)CCN Z5410631465 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.1 CCC(N)CCO Z1258578227 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.1 COCC(N)CO Z1945984156 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.4 CC(=O)OCCN Z1973465551 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.4 CC(N)CCCN Z2230911100 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.4 CC(O)CCCN Z1198178891 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|1,0,0]=3 215 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.4 COCCC(C)N Z361881180 [2,0,0,0,0,0|1,0,1]=4 221 B6R0.4 COCCC(C)O Z818738042 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,1,0]=4 223 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.4 NC(=O)OCCO Z1198158440 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|0,0,0]=2 227 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.4 NCCNC(=O)N Z1268152381 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.4 NCCOC(=O)N Z1587257433 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.4 O=C(O)/C=C/CO Z3178016098 [2,0,0,0,0,0|0,0,2]=4 231 B6R0.4 O=C(O)C#CCO Z1198169479 [2,0,0,0,0,0|0,0,2]=4 232 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|0,1,0]=3 233 B6R0.6 C=CCCCCN Z1198160046 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.6 O=CCCCC=O Z57127529 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|0,0,2]=4 237 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.3 CC(O)C(N)CN Z1250080890 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.3 CCC(C)C(=O)N Z270978420 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|0,0,0]=2 243 B6R0.3 CCC(O)C(=O)N Z965049008 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|0,0,0]=2 246 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,0]=3 247 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|0,0,0]=2 248 B6R0.3 CNC(C)C(=O)O Z1278590830 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.3 COC(C)C(=O)O Z316258898 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|0,0,0]=2 252 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|0,1,0]=3 253 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|0,0,0]=2 254 B6R0.3 NCC(O)C(=O)N Z1889902538 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|0,0,0]=2 257 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|0,1,0]=3 258 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|0,0,0]=2 259 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,0,0,0,0|1,0,0]=3 260 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|2,0,0]=4 262 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|1,0,0]=3 263 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,1,0,0,0,0|2,0,0]=4 266 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,1,0,0,0,0|2,0,0]=4 268 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.7 CC(=O)NCCCCN Z600498842 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,0,0,0,0|1,0,0]=3 276 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,0,0,0,0|1,0,0]=3 277 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|1,0,0]=3 278 B8R0.7 COCCCNC(=O)N Z56979275 [1,1,0,0,0,0|2,0,0]=4 279 B8R0.7 COCCCOC(=O)C Z1123440688 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.7 COCCNCC(=O)N Z1262250392 [1,1,0,0,0,0|2,0,0]=4 281 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,0,0,0,0|1,0,0]=3 282 B8R0.7 COCCOCC(=O)C Z447894346 [1,1,0,0,0,0|2,0,0]=4 283 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,0,0,0,0|1,0,0]=3 284 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,0,0,0,0|1,0,0]=3 285 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,0,0,0,0|1,1,0]=4 286 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,1,0,0,0,0|1,1,0]=4 287 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,0,0,0,0|1,0,0]=3 289 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,1,0,0,0,0|1,0,0]=3 290 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,1,0,0,0,0|1,0,0]=3 291 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,0,0,0,0|2,0,0]=4 292 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,0,0,0,0|2,0,0]=4 293 B8R0.7 O=C(O)CCNCCO Z53116574 [1,1,0,0,0,0|2,0,0]=4 294 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [1,1,0,0,0,0|2,0,0]=4 295 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,0,0,0,0|2,0,0]=4 296 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|2,0,0]=4 297 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|1,0,0]=3 298 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,1,0,0,0,0|2,0,0]=4 299 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,1,0,0,0,0|2,0,0]=4 300 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,1,0,0,0,0|1,0,0]=3 301 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,1,0,0,0,0|2,0,0]=4 302 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,1,0,0,0,0|2,0,0]=4 304 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,1,0,0,0,0|2,0,0]=4 305 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [1,1,0,0,0,0|1,0,0]=3 306 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [1,1,0,0,0,0|2,0,0]=4 307 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [1,1,0,0,0,0|2,0,0]=4 308 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [1,1,0,0,0,0|1,0,0]=3 309 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [1,1,0,0,0,0|1,0,0]=3 310 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [1,1,0,0,0,0|1,0,0]=3 311 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [1,1,0,0,0,0|1,0,0]=3 313 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [1,1,0,0,0,0|1,1,0]=4 316 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [1,1,0,0,0,0|1,0,0]=3 317 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [1,1,0,0,0,0|1,0,0]=3 320 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|1,0,0]=3 321 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,1,0,0,0,0|1,0,0]=3 325 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [1,1,0,0,0,0|2,0,0]=4 326 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|1,0,0]=3 329 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,0,0,0,0|1,0,0]=3 331 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [1,1,0,0,0,0|2,0,0]=4 332 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,1,0,0,0,0|2,0,0]=4 335 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,1,0,0,0,0|1,0,0]=3 336 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,1,0,0,0,0|1,0,0]=3 337 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,1,0,0,0,0|1,0,0]=3 338 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,1,0,0,0,0|1,0,1]=4 339 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,1,0,0,0,0|1,0,0]=3 341 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,1,0,0,0,0|0,0,1]=3 342 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,1,0,0,0,0|0,0,1]=3 343 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,1,0,0,0,0|0,0,1]=3 344 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,1,0,0,0,0|0,0,1]=3 346 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,1,0,0,0,0|1,0,0]=3 347 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,1,0,0,0,0|0,0,1]=3 348 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,1,0,0,0,0|0,0,1]=3 349 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,1,0,0,0,0|1,0,1]=4 353 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,1,0,0,0,1|2,0,0]=4 354 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,2,0,0,0,0|2,0,0]=4 355 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,2,0,0,0,0|1,0,0]=3 356 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,2,0,0,0,0|1,0,0]=3 357 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,2,0,0,0,0|1,0,0]=3 358 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,2,0,0,0,0|2,0,0]=4 359 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,2,0,0,0,0|2,0,0]=4 360 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,2,0,0,0,0|1,1,0]=4 361 B10R0.92 NC(CCC(F)(F)F)C(=O)O Z1954804076 [0,2,0,0,0,0|2,0,0]=4 362 B10R0.19 CCOC(=O)C(N)CCOC Z3048294005 [0,2,0,0,0,0|1,0,0]=3 363 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,2,0,0,0,0|2,0,0]=4 364 B10R0.85 CNC(CCSC)C(=O)OC Z3899878399 [0,2,0,0,0,0|1,1,0]=4 365 B10R0.124 COC(=O)C(C)(C)CCCN Z3616180689 [0,2,0,0,0,0|2,0,0]=4 366 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [0,2,0,0,0,0|1,1,0]=4 367 B10R0.17 NCCCC(C(=O)O)C(=O)O Z3379289602 [0,2,0,0,0,0|2,0,0]=4 368 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,2,0,0,0,0|2,0,0]=4 370 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,2,0,0,0,0|1,0,0]=3 371 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,2,0,0,0,0|2,0,0]=4 374 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,2,0,0,0,0|2,0,0]=4 375 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,2,0,0,0,0|2,0,0]=4 376 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.5 CC1CCCNC1=O Z1013766916 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.5 NC1CCCNC1=O Z993991168 [1,0,0,1,0,0|1,0,0]=3 380 B8R1.5 NC1CCOCC1O Z2688974552 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.5 O=C1NCCCC1F Z1203749514 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.47 COC1CC(C1)C=O Z1880960307 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.52 CC1(CCOC1)C=O Z1511835334 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,1,0,0|1,0,1]=4 390 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [1,0,0,1,0,0|0,0,2]=4 391 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|1,0,0]=3 393 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|1,0,0]=3 398 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|1,1,0]=4 399 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|1,0,0]=3 402 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|2,0,0]=4 403 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|1,0,0]=3 404 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|1,0,0]=3 406 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|2,0,0]=4 407 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [1,0,0,1,0,0|1,0,1]=4 410 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [1,0,0,1,0,0|1,0,1]=4 411 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|2,0,0]=4 413 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|2,0,0]=4 414 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [1,0,0,1,0,0|1,0,0]=3 415 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [1,0,0,1,0,0|1,0,1]=4 416 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,0,0,1,0,0|1,0,0]=3 418 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [1,0,0,1,0,0|1,0,1]=4 419 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|1,0,0]=3 420 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|1,0,0]=3 423 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|1,0,0]=3 428 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [1,0,0,1,0,0|2,0,0]=4 431 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,1,0,1|2,0,0]=4 432 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,1,0,1|2,0,0]=4 433 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,1,0,1|2,0,0]=4 434 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,0,0,1,0,1|2,0,0]=4 435 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,0,0,1,0,1|2,0,0]=4 436 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,0,0,1,0,1|2,0,0]=4 437 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,0,0,1,0,1|2,0,0]=4 438 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,0,0,1,0,1|2,0,0]=4 439 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,0,0,1,0,1|1,1,0]=4 440 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,1,0,0|2,0,0]=4 441 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,1,0,1,0,0|2,0,0]=4 443 B10R1.278 CC(C1CC1)C(N)C(=O)O Z2010010266 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,1,0,1,0,0|2,0,0]=4 445 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,1,0,1,0,0|2,0,0]=4 446 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,1,0,0|2,0,0]=4 448 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,1,0,0|2,0,0]=4 449 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,1,0,0|2,0,0]=4 450 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,1,0,1,0,0|1,0,1]=4 451 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,1,0,1,0,0|2,0,0]=4 452 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,1,0,0|2,0,0]=4 454 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,1,0,1,0,0|2,0,0]=4 455 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,1,0,1,0,0|2,0,0]=4 456 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,1,0,1,0,0|2,0,0]=4 457 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,1,0,1,0,0|2,0,0]=4 458 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,1,0,1,0,0|2,0,0]=4 459 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,1,0,1,0,0|2,0,0]=4 460 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,1,0,1,0,0|2,0,0]=4 461 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,1,0,1,0,0|2,0,0]=4 462 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,1,0,1,0,0|2,0,0]=4 463 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.14 COC(=O)C1CCC(=O)N1 Z104509614 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,1,0,0|1,1,0]=4 467 B10R1.29 NCCCC1CCOC1=O Z2752915920 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.411 COC(=O)C1(CCCC1)N Z235354625 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.411 COC(=O)C1(CCSC1)N Z3674923303 [0,1,0,1,0,0|1,1,0]=4 470 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,1,0,1,0,0|2,0,0]=4 471 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,1,0,0|2,0,0]=4 472 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,1,0,1,0,0|2,0,0]=4 473 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,1,0,0|2,0,0]=4 474 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)N Z1262618373 [0,1,0,1,0,0|2,0,0]=4 475 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,1,0,1,0,0|1,0,0]=3 476 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,1,0,1,0,0|1,0,0]=3 477 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,1,0,0|2,0,0]=4 478 B10R1.194 CN1C(=O)CCC1C(=O)O Z1021465860 [0,1,0,1,0,0|2,0,0]=4 479 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,1,0,1,0,0|2,0,0]=4 480 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,1,0,1,0,0|2,0,0]=4 481 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,1,0,1,0,0|2,0,0]=4 483 B10R1.437 COCCC1(CC1)C(=O)O Z1270131162 [0,1,0,1,0,0|2,0,0]=4 484 B10R1.469 NCC(CC1CC1)C(=O)O Z2453099346 [0,1,0,1,0,0|2,0,0]=4 485 B10R1.477 CCC1(CCCN1)C(=O)O Z1552026999 [0,1,0,1,0,0|2,0,0]=4 486 B10R1.477 CNC1(CCCC1)C(=O)O Z446011232 [0,1,0,1,0,0|2,0,0]=4 487 B10R1.477 NCC1(CCCC1)C(=O)O Z1495988402 [0,1,0,1,0,0|2,0,0]=4 488 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,1,0,0|2,0,0]=4 492 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,1,0,0|2,0,0]=4 495 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,1,0,0|2,0,0]=4 496 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,1,0,0|2,0,0]=4 497 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,1,0,1,0,0|2,0,0]=4 498 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,1,0,0|1,0,0]=3 499 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,0,1,0,0|2,0,0]=4 500 B10R1.235 NCC1(CC(C1)C(=O)O)O Z4075360009 [0,1,0,1,0,0|2,0,0]=4 501 B10R1.490 C#CC1CC(C1)(N)C(=O)O Z4657405282 [0,1,0,1,0,0|2,0,0]=4 502 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,1,0,1,0,0|1,0,0]=3 503 B10R1.93 CCOC1CC(C1)C(=O)O Z1813144098 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,1,0,0|2,0,0]=4 505 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,1,0,0|2,0,0]=4 508 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,1,0,0|1,0,0]=3 512 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,1,0,0|1,0,0]=3 513 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,1,0,0|1,1,0]=4 514 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,1,0,0|2,0,0]=4 515 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,1,0,0|1,0,0]=3 516 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,1,0,0|1,1,0]=4 517 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,1,0,0|2,0,0]=4 518 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,1,0,0|2,0,0]=4 519 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,1,0,0|2,0,0]=4 520 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,1,0,0|2,0,0]=4 521 B10R1.354 CC(N)(C(=O)O)C1CCC1 Z2235409220 [0,1,0,1,0,0|2,0,0]=4 522 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,2,0,0|2,0,0]=4 523 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,2,0,0|2,0,0]=4 524 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,2,0,0|2,0,0]=4 525 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,2,0,0|2,0,0]=4 526 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,2,0,0|2,0,0]=4 527 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,2,0,0|2,0,0]=4 528 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,2,0,0|2,0,0]=4 529 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,0,0,2,0,0|2,0,0]=4