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NCC(=O)CCC(=O)O Z1741972992 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.3 C/C=C/CC(N)CO Z1718361642 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 CC(CN)CCCO Z2234185702 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 CCC(C)NCCO Z335251014 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCC(N)CCOC Z818738108 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.3 CCC(O)CCCN Z1259162031 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CCCCC(N)CC Z3303777618 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.3 CCCCC(N)CN Z756921038 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 C#CCOCC(=O)O Z362807246 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.4 C#CCSCC(=O)O Z149151642 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.4 CC(=O)NCCCO Z353570744 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,0,0,0,0|0,0,2]=3 38 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|0,0,0]=1 40 B7R0.4 CCCCCC(C)N Z104495176 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CCCCNC(=S)N Z56930717 [1,0,0,0,0,0|2,1,0]=4 42 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.4 COCCCC(=N)N Z1267882086 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.4 COCCCC(C)O Z854048762 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 COCCNC(=O)N Z56904572 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.4 N#CCSCC(=O)O Z19691779 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.4 NC(=O)COCCO Z1198148880 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.4 NC(=O)NCCCO Z198194722 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.4 NCCCOC(=O)N Z3337481796 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 NCCOCC(=O)N Z1428158847 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.4 O=C([O-])COCCO Z1744715804 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,0|0,0,0]=1 88 B7R0.6 CC(N)CCC(F)F Z2737504348 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.6 CC(N)CCN(C)C Z316119490 [1,0,0,0,0,0|3,0,0]=4 90 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.6 N=C(N)NCC(=O)O Z586248684 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.7 CC(C)C(=O)NCC(=O)O Z85886685 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,1,0,0,0,0|0,0,0]=1 102 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [0,1,0,0,0,0|2,0,0]=3 103 B9R0.7 CC(S)C(=O)NCC(=O)O Z2681891170 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,0,0|1,0,1]=3 109 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,1,0,0,0,0|1,0,0]=2 110 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,0,0|1,0,1]=3 112 B9R0.21 CCC(N)CNS(=O)(=O)C Z2235330301 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.23 CCC(N)C(C)CN(C)C Z4870681119 [0,1,0,0,0,0|3,0,0]=4 115 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.24 COC(=O)CCC(C)OC Z1634338049 [0,1,0,0,0,0|2,0,0]=3 118 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|1,0,1]=3 119 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|1,0,0]=2 121 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.43 CCN(CC)CCC(=O)O Z1259161971 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,1,0,0,0,0|2,0,0]=3 126 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,1,0,0,0,0|1,0,1]=3 127 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,1,0,0,0,0|1,0,1]=3 128 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,1,0,0,0,0|2,0,0]=3 130 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [0,1,0,0,0,0|2,0,0]=3 131 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,1,0,0,0,0|3,0,0]=4 133 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [0,1,0,0,0,0|2,0,0]=3 135 B9R0.64 CCS(=O)(=O)NCC(=O)O Z54814318 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.64 CNS(=O)(=O)CCC(=O)O Z351064476 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.10 CC1(CCC(CC1)N)C Z1198179746 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.10 CC1(CCC(CC1)O)O Z1813153932 [0,0,0,1,0,0|2,0,1]=4 141 B9R1.10 C[C@@]1(CC[C@H](CC1)N)F Z3790481810 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.10 N=S1(=O)CCC(CC1)N Z4761632957 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.10 N=S1(=O)CCC(CC1)O Z4202670484 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.10 O=S1(=O)CCC(CC1)O Z501749164 [0,0,0,1,0,0|2,0,1]=4 145 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,0,0,1,0,0|2,0,0]=3 147 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|1,0,2]=4 150 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|1,0,0]=2 152 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,0,0,1,0,0|3,0,0]=4 154 B9R1.35 CN(C)[C@@H]1CC[C@@H](C1)N Z2568756766 [0,0,0,1,0,0|3,0,0]=4 155 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.35 NC(=O)N1CCC(C1)N Z1342879018 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,0,0,1,0,0|1,0,0]=2 162 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,0,0,1,0,0|0,0,2]=3 163 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|0,0,0]=1 164 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|1,0,0]=2 165 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,0|2,0,0]=3 168 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,0|2,0,1]=4 171 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|1,0,1]=3 172 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|2,0,1]=4 174 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|2,0,1]=4 175 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|2,0,1]=4 177 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,0|2,0,1]=4 178 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,0,0,1,0,0|3,0,0]=4 181 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,0,0,1,0,0|0,0,0]=1 183 B9R1.69 CC1CC(=O)CCN1C Z825754016 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.69 CC1CCC(C(C1)C)N Z854046330 [0,0,0,1,0,0|2,0,1]=4 185 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.69 CC1CN(CCC1N)C Z825754008 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,0,0,1,0,0|1,0,0]=2 188 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,0,0,1,0,0|2,0,1]=4 189 B9R1.84 O=C(O)/C=C/C1CCC1 Z1868431084 [0,0,0,1,0,0|1,0,2]=4 190 B9R1.84 O=C(O)C#CC1CCC1 Z1235950879 [0,0,0,1,0,0|1,0,2]=4 191 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,0,0,1,0,0|2,0,0]=3 192 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,0,1,0,0|2,0,0]=3 194 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,0,0,1,0,0|2,0,1]=4 195 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,0,1,0,0|2,0,0]=3 196 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [0,0,0,1,0,0|3,0,0]=4 197 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.125 CC1(CNC(=O)O1)CN Z5851683025 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.125 CCC1(CNC(=O)C1)C Z1203748294 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,0,0,1,0,0|1,0,0]=2 201 B9R1.133 NCC1CCS(=O)(=O)N1 Z2310707968 [0,0,0,1,0,0|2,0,1]=4 202 B9R1.138 C[C@@H]1[C@@H](CCS1(=O)=O)N Z2311221483 [0,0,0,1,0,0|1,0,1]=3 203 B9R1.147 CC1(CC1)C#CC(=O)O Z2079608413 [0,0,0,1,0,0|1,0,2]=4 204 B9R1.147 NC1(CC1)C#CC(=O)O Z4183251961 [0,0,0,1,0,0|0,0,2]=3 205 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,1,0|2,0,0]=3 206 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,1,0|1,0,2]=4 207 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,1,0|2,0,1]=4 208 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,1,0|1,0,0]=2 209 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,1,0|3,0,0]=4 210 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,1,0|0,0,0]=1 211 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,1,0|2,0,0]=3 212 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,1,0|2,0,1]=4 213 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,1,0|3,0,0]=4 214 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,1,0|2,0,0]=3 215 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,1,0|2,0,0]=3 216 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,1,0|2,0,0]=3 217 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,1,0|2,0,0]=3 218 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,0,0,0,0,1|1,0,1]=3 219 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,0,0,0,0,1|2,0,1]=4 220 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,0,0,0,0,1|2,0,1]=4 221 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,0,0,0,0,1|2,0,1]=4 222 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,0,0,0,0,1|2,0,1]=4 223 B6R0.1 C#CCC(N)CC Z969111798 [2,0,0,0,0,0|0,0,2]=4 224 B6R0.1 C=CCC(N)CC Z1981870426 [2,0,0,0,0,0|0,0,1]=3 225 B6R0.1 C=CCC(N)CO Z1815149150 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.1 C=CCC(O)CC Z808662120 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.1 CC(CN)CCO Z1203581915 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.1 CCC(N)CCO Z1258578227 [2,0,0,0,0,0|0,0,0]=2 229 B6R0.1 CCC(N)COC Z825742260 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.1 CCC(O)CCN Z406342052 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.1 CCC(O)CCO Z1198157972 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.1 CCCC(N)CC Z1642389626 [2,0,0,0,0,0|0,0,1]=3 233 B6R0.1 CCCC(N)CN Z425861040 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.1 CNC(C)CCO Z1198266877 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.1 CSC(C)CCO Z1262258908 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|0,0,2]=4 237 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|0,0,2]=4 238 B6R0.4 C=CCCC(C)N Z3681295487 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.4 CC(=O)OCCN Z1973465551 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.4 CC(N)CCCN Z2230911100 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.4 CC(N)CCCO Z1203578676 [2,0,0,0,0,0|0,0,1]=3 242 B6R0.4 CC(O)CCCN Z1198178891 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,2]=4 244 B6R0.4 CCC#CC(=O)O Z1205493735 [2,0,0,0,0,0|0,0,2]=4 245 B6R0.4 CCCCB(O)O Z1147227739 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.4 CCCCC(=N)N Z1723418909 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,0]=2 249 B6R0.4 CCCCC(C)N Z3300506318 [2,0,0,0,0,0|1,0,1]=4 250 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.4 CCNCC(=O)N Z1459435506 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,0]=3 259 B6R0.4 COCCC(C)N Z361881180 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|0,0,0]=2 264 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|1,0,0]=3 265 B6R0.4 NCCNC(=O)N Z1268152381 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.4 NCCOC(=O)N Z1587257433 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.6 C=CCCCCN Z1198160046 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.6 CCCCCCO Z104473568 [2,0,0,0,0,0|0,0,1]=3 270 B6R0.6 CCNCCCO Z138139914 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.6 CCOCCCO Z1080358490 [2,0,0,0,0,0|1,0,1]=4 272 B6R0.6 CNCCCCO Z839096662 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.6 O=CCCCC=O Z57127529 [2,0,0,0,0,0|1,0,1]=4 275 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.8 COCCC(N)C(C)C Z4913680141 [1,1,0,0,0,0|2,0,0]=4 277 B8R0.11 CCC(CC)CCCO Z1198265454 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.19 CCC(C)CC(N)CO Z1198179422 [1,1,0,0,0,0|1,0,1]=4 279 B8R0.19 CCC(N)CC(C)CO Z1270456881 [1,1,0,0,0,0|0,0,1]=3 280 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,1,0,0,0,0|0,0,2]=4 282 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|0,0,0]=2 283 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|0,0,0]=2 284 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,1,0,0,0,0|1,0,0]=3 285 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,1,0,0,0,0|1,0,0]=3 286 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|1,0,0]=3 287 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,1,0,0,0,0|0,0,2]=4 288 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,1,0,0,0,0|0,0,2]=4 289 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,1,0,0,0,0|0,0,2]=4 290 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,1,0,0,0,0|0,0,2]=4 291 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,1,0,0,0,0|0,0,2]=4 292 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,1,0,0,0,0|0,0,1]=3 293 B8R0.7 CC#CCNCC(=O)O Z4923954034 [1,1,0,0,0,0|0,0,2]=4 294 B8R0.7 CC(=O)CCCCC#N Z2350907379 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.7 CC(=O)NCCCCN Z600498842 [1,1,0,0,0,0|2,0,0]=4 296 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,1,0,0,0,0|2,0,0]=4 297 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,0,0,0,0|0,0,0]=2 298 B8R0.7 CCCCCNC(=N)N Z1090000368 [1,1,0,0,0,0|2,0,0]=4 299 B8R0.7 CCCCNCC(=O)N Z398513412 [1,1,0,0,0,0|1,0,0]=3 300 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|0,0,0]=2 301 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,0,0,0,0|0,0,0]=2 302 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,0,0,0,0|0,0,0]=2 303 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,0,0,0,0|0,0,0]=2 304 B8R0.7 CCNCCNC(=O)C Z123868526 [1,1,0,0,0,0|2,0,0]=4 305 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,0,0,0,0|0,0,0]=2 306 B8R0.7 CCOCCNC(=O)N Z432417116 [1,1,0,0,0,0|2,0,0]=4 307 B8R0.7 CCSCCCC(=N)N Z1861964086 [1,1,0,0,0,0|2,0,0]=4 308 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,0,0,0,0|0,0,0]=2 309 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,1,0,0,0,0|2,0,0]=4 310 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|0,0,0]=2 311 B8R0.7 COCCCNC(=O)N Z56979275 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.7 COCCCOC(=O)C Z1123440688 [1,1,0,0,0,0|2,0,0]=4 313 B8R0.7 COCCNCC(=O)N Z1262250392 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.7 COCCOCC(=O)C Z447894346 [1,1,0,0,0,0|2,0,0]=4 316 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,0,0,0,0|1,0,0]=3 317 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,0,0,0,0|0,0,0]=2 319 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,1,0,0,0,0|1,0,0]=3 320 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,1,0,0,0,0|1,0,1]=4 321 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,0,0,0,0|0,0,0]=2 322 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,1,0,0,0,0|1,0,0]=3 323 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,1,0,0,0,0|1,0,0]=3 324 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,0,0,0,0|0,0,0]=2 325 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,0,0,0,0|0,0,0]=2 326 B8R0.7 O=C(O)CCNCCO Z53116574 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.7 O=C([O-])CNCCCO Z5147896273 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,1,0,0,0,0|0,0,2]=4 331 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,0,0,0,0|0,0,1]=3 332 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|0,0,0]=2 335 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,1,0,0,0,0|2,0,0]=4 336 B8R0.28 CC(C)CNCC(=O)N Z234894923 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,1,0,0,0,0|1,0,0]=3 338 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,1,0,0,0,0|1,0,0]=3 340 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,1,0,0,0,0|1,0,0]=3 341 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|0,0,0]=2 342 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,1,0,0,0,0|0,0,1]=3 344 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [1,1,0,0,0,0|1,0,0]=3 349 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [1,1,0,0,0,0|1,0,0]=3 350 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,1,0,0,0,0|1,0,0]=3 352 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,1,0,0,0,0|1,0,0]=3 353 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,1,0,0,0,0|1,0,0]=3 354 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,1,0,0,0,0|1,0,0]=3 355 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [1,1,0,0,0,0|2,0,0]=4 356 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,1,0,0,0,0|2,0,0]=4 357 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,1,0,0,0,0|2,0,0]=4 358 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [1,1,0,0,0,0|2,0,0]=4 361 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,1,0,0,0,0|2,0,0]=4 362 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [1,1,0,0,0,0|2,0,0]=4 363 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,1,0,0,0,0|2,0,0]=4 364 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,1,0,0,0,0|0,0,0]=2 365 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [1,1,0,0,0,0|2,0,0]=4 366 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,1,0,0,0,0|2,0,0]=4 371 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [1,1,0,0,0,0|2,0,0]=4 372 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [1,1,0,0,0,0|1,0,0]=3 373 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [1,1,0,0,0,0|2,0,0]=4 374 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [1,1,0,0,0,0|2,0,0]=4 375 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [1,1,0,0,0,0|0,0,2]=4 376 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [1,1,0,0,0,0|0,0,0]=2 377 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [1,1,0,0,0,0|2,0,0]=4 378 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [1,1,0,0,0,0|1,0,0]=3 380 B8R0.29 CC(N)CCS(=O)(=O)C Z992990700 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [1,1,0,0,0,0|2,0,0]=4 383 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,1,0|2,0,0]=4 384 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,1,0|1,0,1]=4 385 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,1,0|1,0,0]=3 386 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,1,0|2,0,0]=4 387 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,1,0|1,0,0]=3 388 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,1,0|1,0,0]=3 389 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,1,0|1,0,0]=3 390 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,1,0|1,0,0]=3 391 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,1,0|1,0,0]=3 392 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,1,0|1,0,0]=3 393 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,1,0|2,0,0]=4 394 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,1,0|2,0,0]=4 395 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,1,0|2,0,0]=4 396 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,1,0|2,0,0]=4 397 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,1,0|1,0,0]=3 398 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,1,0|0,0,0]=2 399 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,1,0,0,1,0|2,0,0]=4 400 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,1,0|1,0,0]=3 401 B8R0.24 CCC(N)CS(=O)(=O)C Z3015223301 [0,1,0,0,1,0|1,0,1]=4 402 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,1,0,0,1,0|2,0,0]=4 403 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,1,0,0,1,0|2,0,0]=4 404 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,1,0|1,0,0]=3 405 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,1,0,0,1,0|2,0,0]=4 406 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,1,0|2,0,0]=4 407 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,1,0,0,0,1|1,0,0]=3 408 B10R0.3 CCNC(=O)CCCC(=O)O Z90423818 [0,1,0,0,0,1|1,0,1]=4 409 B10R0.3 CCOC(=O)CNCC(=O)O Z4643529485 [0,1,0,0,0,1|1,0,1]=4 410 B10R0.3 CCOC(=O)NCCC(=O)O Z64466763 [0,1,0,0,0,1|1,0,1]=4 411 B10R0.3 COCC(=O)NCCC(=O)O Z85914467 [0,1,0,0,0,1|1,0,1]=4 412 B10R0.3 NCCC(=O)NCCC(=O)O Z3568417658 [0,1,0,0,0,1|1,0,1]=4 413 B10R0.57 CCC(C)C(=O)NCC(=O)O Z239129928 [0,1,0,0,0,1|1,0,1]=4 414 B10R0.65 CCS(=O)(=O)NCCC(=O)O Z53825543 [0,1,0,0,0,1|2,0,0]=4 415 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,1,0,0,0,1|0,0,0]=2 416 B10R0.98 CC(C)C(=O)NCCC(=O)O Z85914336 [0,1,0,0,0,1|1,0,1]=4 417 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,1,0,0,0,1|0,0,0]=2 418 B10R0.98 CC(C)N(C)CCCC(=O)O Z1459919630 [0,1,0,0,0,1|2,0,0]=4 419 B10R0.98 CC(N)C(=O)NCCC(=O)O Z760082274 [0,1,0,0,0,1|1,0,1]=4 420 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,1,0,0,0,1|1,0,1]=4 421 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,1,0,0,0,1|1,0,1]=4 422 B10R0.12 CC(C)(C)C(=O)CCC(=O)O Z838955688 [0,2,0,0,0,0|1,0,1]=4 423 B10R0.12 NC(CCC(=O)O)C(F)(F)F Z2942397371 [0,2,0,0,0,0|1,0,0]=3 424 B10R0.13 CC(C)C(C)C(C)CC(=O)O Z2301602224 [0,2,0,0,0,0|1,0,0]=3 425 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Z1262511309 [0,2,0,0,0,0|1,0,1]=4 426 B10R0.45 CCN(CC)CCC(=O)OC Z53116565 [0,2,0,0,0,0|2,0,0]=4 427 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,0,0,0,0|1,0,0]=3 428 B10R0.72 CCC(CO)NC(C)C(=O)O Z852758198 [0,2,0,0,0,0|2,0,0]=4 429 B10R0.72 CCN(CC)CC(F)C(=O)O Z1407007490 [0,2,0,0,0,0|2,0,0]=4 430 B10R0.121 CCC(N)(CC)CCC(=O)O Z5297198805 [0,2,0,0,0,0|0,0,0]=2 431 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,2,0,0,0,0|1,0,0]=3 432 B10R0.78 CCCNC(=O)CCC(=O)O Z90423791 [0,2,0,0,0,0|1,0,1]=4 433 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,2,0,0,0,0|1,0,1]=4 434 B10R0.96 CC(CCC(=O)O)CN(C)C Z4423737143 [0,2,0,0,0,0|1,0,0]=3 435 B10R0.96 CC(CN(C)C)OCC(=O)O Z2740196787 [0,2,0,0,0,0|2,0,0]=4 436 B10R0.105 CC(C)(CCN)CCC(=O)O Z1262246206 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.1 C#CC1CCC(C1)N Z3215421078 [1,0,0,1,0,0|1,0,1]=4 438 B8R1.1 C#C[C@H]1CC[C@H](C1)N Z4607393601 [1,0,0,1,0,0|1,0,1]=4 439 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,1,0,0|1,0,0]=3 440 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,1,0,0|0,0,0]=2 441 B8R1.1 CCC1CCC(N1)C Z1582263727 [1,0,0,1,0,0|1,0,1]=4 442 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.1 CSC1CCC(C1)N Z1245790495 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.1 N#C[C@H]1CC[C@H](C1)N Z2375429659 [1,0,0,1,0,0|1,0,1]=4 446 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [1,0,0,1,0,0|1,0,0]=3 447 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [1,0,0,1,0,0|2,0,0]=4 448 B8R1.1 NCC1COC(=O)N1 Z2130644119 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.1 O=C1CCC(N1)CO Z235344363 [1,0,0,1,0,0|1,0,0]=3 450 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [1,0,0,1,0,0|1,0,0]=3 451 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.2 CCC1CCCCN1 Z839028612 [1,0,0,1,0,0|1,0,1]=4 453 B8R1.3 CC1=CCC(CC1)N Z3857655203 [1,0,0,1,0,0|1,0,1]=4 454 B8R1.3 CC1CCC(=O)CC1 Z57073963 [1,0,0,1,0,0|1,0,0]=3 455 B8R1.3 CC1CCC(=O)NC1 Z969194082 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.3 CC1CCC(CC1)O Z104476106 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.3 CN1CCC(CC1)N Z89283296 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [1,0,0,1,0,0|1,0,1]=4 459 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [1,0,0,1,0,0|0,0,0]=2 460 B8R1.3 NC1CCC(=O)NC1 Z992717028 [1,0,0,1,0,0|1,0,0]=3 461 B8R1.3 NC1CCC(CC1)N Z104477550 [1,0,0,1,0,0|1,0,1]=4 462 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [1,0,0,1,0,0|2,0,0]=4 465 B8R1.3 OC1CCC(CC1)O Z1178486717 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.5 CC1COCCC1N Z1868316869 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [1,0,0,1,0,0|1,0,1]=4 469 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [1,0,0,1,0,0|1,0,1]=4 470 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [1,0,0,1,0,0|1,0,0]=3 471 B8R1.10 O=CCCC1CCC1 Z1717769279 [1,0,0,1,0,0|1,0,0]=3 472 B8R1.10 O=CCCC1CCO1 Z2327124310 [1,0,0,1,0,0|1,0,0]=3 473 B8R1.22 NC1CCC=CCC1 Z2824346881 [1,0,0,1,0,0|1,0,0]=3 474 B8R1.22 NC1CCCCCC1 Z104477488 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.22 NC1CCCSCC1 Z3102941972 [1,0,0,1,0,0|0,1,1]=4 476 B8R1.38 CCC(N)C1CCC1 Z2941715980 [1,0,0,1,0,0|1,0,1]=4 477 B8R1.41 CC1(CC1)CCC=O Z1511890142 [1,0,0,1,0,0|1,0,0]=3 478 B8R1.41 CCCCC1(CC1)N Z2888996734 [1,0,0,1,0,0|1,0,1]=4 479 B8R1.41 COCCC1(CC1)N Z2310679165 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.41 N#CCCC1(CC1)N Z4283658756 [1,0,0,1,0,0|1,0,1]=4 481 B8R1.47 CCC1CC(C1)C=O Z3243131887 [1,0,0,1,0,0|1,0,0]=3 482 B8R1.47 COC1CC(C1)C=O Z1880960307 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.50 CC1C(=O)CCC1=O Z104503660 [1,0,0,1,0,0|1,0,1]=4 484 B8R1.50 CC1CNC(=O)C1C Z1203745887 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.52 CCC1(CCCC1)N Z2235330317 [1,0,0,1,0,0|1,0,1]=4 486 B8R1.52 CCC1(CCOC1)N Z2010009859 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,0,0,1,0,0|1,0,1]=4 488 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,0,0,1,0,0|0,0,2]=4 491 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|1,0,0]=3 492 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,1,0,0|1,0,0]=3 493 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,1,0,0|1,0,0]=3 499 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,1,0,0|2,0,0]=4 500 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,1,0,0|2,0,0]=4 501 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [1,0,0,1,0,0|2,0,0]=4 502 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,1,0,0|1,0,0]=3 503 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,1,0,0|2,0,0]=4 504 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,1,0,0|2,0,0]=4 505 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,0,0,1,0,0|2,0,0]=4 506 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.7 NC(=O)N1CCCC1 Z56907605 [1,0,0,1,0,0|2,0,0]=4 508 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|0,0,2]=4 509 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|0,0,2]=4 510 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|0,0,0]=2 511 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|1,0,0]=3 512 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|1,0,0]=3 513 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|1,0,0]=3 514 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|1,0,0]=3 515 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 516 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|1,0,0]=3 517 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|1,0,0]=3 518 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|1,0,0]=3 523 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|1,0,0]=3 525 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.7 OB(O)C1CCCC1 Z1147227731 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|1,0,0]=3 528 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|1,0,0]=3 529 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,0,1,0,0|1,0,0]=3 530 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.34 NC(=O)NC1CCC1 Z979783478 [1,0,0,1,0,0|2,0,0]=4 533 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [1,0,0,1,0,0|0,0,2]=4 534 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|0,0,0]=2 535 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [1,0,0,1,0,0|1,0,0]=3 536 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,0,1,0,0|1,0,0]=3 537 B8R1.35 NC(=O)CNC1CC1 Z104875198 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.35 NC(=O)NCC1CC1 Z247615948 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [1,0,0,1,0,0|0,0,2]=4 540 B8R1.35 O=C(O)CNC1CC1 Z432066928 [1,0,0,1,0,0|1,0,0]=3 541 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [1,0,0,1,0,0|1,0,1]=4 542 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|0,0,0]=2 543 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [1,0,0,1,0,0|1,0,1]=4 544 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [1,0,0,1,0,0|1,0,1]=4 545 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,0,1,0,0|1,0,0]=3 546 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|1,0,1]=4 548 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|1,0,1]=4 549 B8R1.72 CC1(CCCCC1)O Z449370586 [1,0,0,1,0,0|1,0,1]=4 550 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [1,0,0,1,0,0|2,0,0]=4 553 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,0]=3 554 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [1,0,0,1,0,0|2,0,0]=4 555 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [1,0,0,1,0,0|2,0,0]=4 556 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,0,0,1,0,0|0,0,0]=2 557 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [1,0,0,1,0,0|1,0,1]=4 558 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [1,0,0,1,0,0|1,0,1]=4 559 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [1,0,0,1,0,0|2,0,0]=4 560 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [1,0,0,1,0,0|1,0,0]=3 561 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [1,0,0,1,0,0|2,0,0]=4 562 B8R1.51 NC1CCS(=O)(=O)C1 Z56998603 [1,0,0,1,0,0|1,0,1]=4 563 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [1,0,0,1,0,0|1,0,0]=3 564 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [1,0,0,1,0,0|2,0,0]=4 565 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [1,0,0,1,0,0|2,0,0]=4 566 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,1,0|2,0,0]=4 567 B8R1.18 CC1CC(C(O1)C)N Z2719326610 [0,0,0,1,1,0|1,0,1]=4 568 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,1,0|1,0,0]=3 569 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,1,0,1|1,0,1]=4 570 B10R1.13 CC(=O)N1CCC(CC1)N Z90664455 [0,0,0,1,0,1|1,0,0]=3 571 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,0,0,1,0,1|1,0,0]=3 572 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,1,0,1|1,0,1]=4 573 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,0,0,1,0,1|2,0,0]=4 574 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,1,0,1|1,0,0]=3 575 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,1|1,0,0]=3 576 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,0,0,1,0,1|2,0,0]=4 577 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,0,0,1,0,1|2,0,0]=4 578 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,1,0,1|1,0,0]=3 579 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,1|1,0,0]=3 580 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,1,0,1|2,0,0]=4 581 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,1,0,1|2,0,0]=4 582 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,0,0,1,0,1|1,0,0]=3 583 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [0,0,0,1,0,1|2,0,0]=4 584 B10R1.13 NC(=O)N1CCC(CC1)N Z217651700 [0,0,0,1,0,1|1,0,0]=3 585 B10R1.13 NC(=O)N1CCC(CC1)O Z198194442 [0,0,0,1,0,1|2,0,0]=4 586 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N Z4867378872 [0,0,0,1,0,1|1,0,0]=3 587 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,1,0,1|0,0,1]=3 588 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,0,0,1,0,1|1,0,1]=4 589 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,0,0,1,0,1|1,0,0]=3 590 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,1|1,0,0]=3 591 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,1,0,1|1,0,0]=3 592 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,1|1,0,1]=4 593 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,1|1,0,1]=4 594 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,0,0,1,0,1|0,0,2]=4 595 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,0,0,1,0,1|0,0,0]=2 596 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,0,0,1,0,1|1,0,0]=3 597 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,0,0,1,0,1|2,0,0]=4 598 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,0,0,1,0,1|1,0,0]=3 599 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,0,0,1,0,1|2,0,0]=4 600 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,0,0,1,0,1|2,0,0]=4 601 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,0,0,1,0,1|2,0,0]=4 602 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,0,0,1,0,1|2,0,0]=4 603 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,0,0,1,0,1|2,0,0]=4 604 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,0,0,1,0,1|1,0,1]=4 605 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,0,1,0,1|1,0,0]=3 606 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,0,0,1,0,1|1,0,0]=3 607 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,0,0,1,0,1|1,0,0]=3 608 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,0,0,1,0,1|2,0,0]=4 609 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,0,0,1,0,1|0,0,0]=2 610 B10R1.79 O=C1CCCC(CCC1)O Z1198158812 [0,0,0,1,0,1|2,0,0]=4 611 B10R1.168 CCC1CC(C1)CC(=O)O Z1205498075 [0,0,0,1,0,1|1,0,0]=3 612 B10R1.168 CCC1CN(C1)CC(=O)O Z2587940292 [0,0,0,1,0,1|1,0,0]=3 613 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,0,0,1,0,1|2,0,0]=4 614 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,0,0,1,0,1|2,0,0]=4 615 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,0,0,1,0,1|2,0,0]=4 616 B10R1.197 CCC1CCNC(=O)CC1 Z425362288 [0,0,0,1,0,1|2,0,0]=4 617 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,1,0,1,0,0|2,0,0]=4 618 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,1,0,1,0,0|0,0,0]=2 619 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,1,0,1,0,0|0,0,0]=2 620 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [0,1,0,1,0,0|1,0,0]=3 621 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,1,0,1,0,0|1,0,0]=3 622 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,1,0,1,0,0|0,0,0]=2 623 B10R1.120 CC1(NC(=O)CCC1N)C Z2009982538 [0,1,0,1,0,0|1,0,0]=3 624 B10R1.211 O=C(O)CCC(=O)C1CC1 Z838955870 [0,1,0,1,0,0|1,0,1]=4 625 B10R1.332 NC1CC[C@@H]([C@@H](CC1)O)O Z2827859398 [0,1,0,1,0,0|0,0,2]=4 626 B10R1.349 CN(C)[C@H]1C[C@@H](C1)C(=O)O Z2310671389 [0,1,0,1,0,0|2,0,0]=4 627 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(=O)O Z2310722627 [0,1,0,1,0,0|2,0,0]=4 628 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,1,0,1,0,0|2,0,0]=4 629 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,1,0,1,0,0|1,0,0]=3 630 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,1,0,1,0,0|2,0,0]=4 631 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,1,0,1,0,0|2,0,0]=4 632 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,1,0,1,0,0|2,0,0]=4 633 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,1,0,1,0,0|1,0,0]=3 634 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.360 CC(C)C1(CC1C(=O)O)C Z979743516 [0,1,0,1,0,0|1,0,0]=3 636 B10R1.470 CC(C)C1(CCC(=O)C1)C Z1513643188 [0,1,0,1,0,0|2,0,0]=4 637 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,1,0,1,0,0|0,0,0]=2 638 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,1,0,1,0,0|1,0,0]=3 639 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,1,0,1,0,0|2,0,0]=4 640 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,1,0,1,0,0|1,0,0]=3 641 B10R1.26 CNC1CCS(=N)(=O)CC1 Z2738485685 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.26 CNC1CCS(=O)(=O)CC1 Z1272684692 [0,1,0,1,0,0|1,0,1]=4 643 B10R1.26 NCC1CCS(=O)(=O)CC1 Z1532541192 [0,1,0,1,0,0|1,0,1]=4 644 B10R1.55 CS(=O)(=O)C1CCC(C1)N Z2980341787 [0,1,0,1,0,0|1,0,1]=4 645 B10R1.152 CCC(=O)NCC1(CC1)N Z2937092972 [0,1,0,1,0,0|2,0,0]=4 646 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,1,0,1,0,0|1,0,0]=3 647 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,1,0,1,0,0|1,0,0]=3 648 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [0,1,0,1,0,0|1,0,0]=3 649 B10R1.266 CN(CC(=O)O)C1CCC1 Z1255381537 [0,1,0,1,0,0|2,0,0]=4 650 B10R1.151 COC(=O)COC1CCC1 Z959310266 [0,1,0,1,0,0|2,0,0]=4 651 B10R1.157 CC[C@@H]1C[C@@H]1CC(=O)CCl Z4994023133 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.473 CCC1(CCC(=O)CC1)C Z1255445103 [0,1,0,1,0,0|2,0,0]=4 653 B10R1.473 CCC1(CCC(CC1)N)O Z1268604751 [0,1,0,1,0,0|1,0,1]=4 654 B10R1.63 CC1CC(CCS1(=O)=O)N Z2895740497 [0,1,0,1,0,0|1,0,1]=4 655 B10R1.63 CN1CC(CCS1(=O)=O)N Z5612832205 [0,1,0,1,0,0|1,0,1]=4 656 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,1,0,1,0,0|2,0,0]=4 657 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,1,0,0|2,0,0]=4 658 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,1,0,0|1,0,0]=3 659 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,1,0,0|1,0,0]=3 660 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,1,0,0|1,0,0]=3 661 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,1,0,0|2,0,0]=4 662 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,1,0,0|1,0,0]=3 663 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,1,0,1,0,0|2,0,0]=4 664 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,1,0,0|2,0,0]=4 665 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,1,0,0|2,0,0]=4 666 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,1,0,0|2,0,0]=4 667 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,1,0,0|2,0,0]=4 668 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,1,0,0|1,0,0]=3 669 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,1,0,0|1,0,0]=3 670 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,1,0,0|0,0,0]=2 671 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,1,0,0|0,0,0]=2 672 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,1,0,1,0,0|0,0,1]=3 673 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,1,0,0|1,0,0]=3 674 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,1,0,0|1,0,0]=3 675 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,1,0,1,0,0|1,0,1]=4 676 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,0,1,0,0|1,0,0]=3 677 B10R1.235 NCC1(CC(C1)C(=O)O)O Z4075360009 [0,1,0,1,0,0|2,0,0]=4 678 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,1,0,1,0,0|2,0,0]=4 679 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,1,0,1,0,0|2,0,0]=4 680 B10R1.66 CC(=O)OCC1CCNC1 Z1201627164 [0,1,0,1,0,0|2,0,0]=4 681 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,1,0,1,0,0|1,0,0]=3 682 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,1,0,1,0,0|0,0,0]=2 683 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,1,0,1,0,0|1,0,0]=3 684 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,1,0,1,0,0|0,0,0]=2 685 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,1,0,1,0,0|1,0,0]=3 686 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,1,0,1,0,0|2,0,0]=4 687 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,1,0,1,0,0|2,0,0]=4 688 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,1,0,1,0,0|1,0,0]=3 689 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,1,0,1,0,0|2,0,0]=4 690 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,1,0,1,0,0|2,0,0]=4 691 B10R1.1 CCCC1CCC(=O)CC1 Z57073962 [0,1,0,1,0,0|2,0,0]=4 692 B10R1.1 CCNC1CCC(=O)NC1 Z5993554398 [0,1,0,1,0,0|2,0,0]=4 693 B10R1.1 NCCC1CCC(=O)NC1 Z3323194920 [0,1,0,1,0,0|2,0,0]=4 694 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,1,0,1,0,0|2,0,0]=4 695 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,1,0,1,0,0|1,0,0]=3 696 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,1,0,1,0,0|1,0,0]=3 697 B10R1.82 NC(=O)CCC1CC(C1)N Z5419595317 [0,1,0,1,0,0|2,0,0]=4 698 B10R1.82 NC1CC(C1)CCC(=O)O Z3070475300 [0,1,0,1,0,0|1,0,0]=3 699 B10R1.82 N[C@H]1C[C@@H](C1)CCC(=O)O Z3681494125 [0,1,0,1,0,0|1,0,0]=3 700 B10R1.82 N[C@H]1C[C@H](C1)CCC(=O)O Z3213800541 [0,1,0,1,0,0|1,0,0]=3 701 B10R1.93 CCOC1CC(C1)C(=O)O Z1813144098 [0,1,0,1,0,0|1,0,0]=3 702 B10R1.107 N[C@@H]1C[C@@H]([C@H]1CC(=O)O)O Z4401324718 [0,1,0,1,0,0|0,0,0]=2 703 B10R1.353 O=C([O-])CCC1(CCC1)O Z2238932944 [0,1,0,1,0,0|1,0,1]=4 704 B10R1.297 CC1(CCS(=N)(=O)CC1)N Z4918295254 [0,1,0,1,0,0|2,0,0]=4 705 B10R1.297 CC1(CCS(=O)(=O)CC1)N Z4283383628 [0,1,0,1,0,0|1,0,1]=4 706 B10R2.31 O=C1CC[C@@H]2CC[C@@H]2N1 Z4402563392 [0,0,0,2,0,0|2,0,0]=4 707 B10R2.178 NC1CCC2CCC1O2 Z3478580742 [0,0,0,2,0,0|1,0,1]=4 708 B10R2.178 N[C@@H]1CC[C@H]2C[C@@H]1CO2 Z4656798105 [0,0,0,2,0,0|1,0,1]=4 709 B10R2.178 O=C1NCC2CCC1N2 Z1203749107 [0,0,0,2,0,0|2,0,0]=4 710 B10R2.335 O=C1CCC2(CC1)CC2 Z1198235438 [0,0,0,2,0,0|2,0,0]=4 711 B10R2.571 NC12CCC(C1)(CC2)O Z2943420999 [0,0,0,2,0,0|1,0,1]=4 712 B10R2.60 NC1CC2CC1CC2O Z2941372208 [0,0,0,2,0,0|1,0,1]=4 713 B10R2.64 N[C@@H]1C[C@@H]2[C@H]1CC(=O)O2 Z3282751212 [0,0,0,2,0,0|0,0,0]=2 714 B10R2.64 O=C1C[C@H]2[C@@H](C[C@H]2N1)O Z3304095494 [0,0,0,2,0,0|2,0,0]=4 715 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,0,0,2,0,0|1,0,0]=3 716 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,0,0,2,0,0|2,0,0]=4 717 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,2,0,0|2,0,0]=4 718 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,2,0,0|2,0,0]=4 719 B10R2.175 N[C@@]12CC[C@H]([C@@H]1CC2)O Z5787659461 [0,0,0,2,0,0|1,0,1]=4 720 B10R2.332 O=C1NCC2(O1)CCC2 Z1203749291 [0,0,0,2,0,0|2,0,0]=4 721 B10R2.638 O=C(O)C1CC12CCC2 Z1201622715 [0,0,0,2,0,0|1,0,0]=3 722 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,0,0,0,1,0|1,0,1]=4 723 B6R0.2 CC(=O)CC(C)N Z57329385 [1,0,0,0,1,0|1,0,0]=3 724 B6R0.2 CC(C)CC(=O)N Z33546511 [1,0,0,0,1,0|2,0,0]=4 725 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,0,0,1,0|1,0,0]=3 726 B6R0.2 CC(N)CC(=O)N Z594220690 [1,0,0,0,1,0|1,0,0]=3 727 B6R0.2 CC(N)CC(=O)O Z147647144 [1,0,0,0,1,0|0,0,0]=2 728 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,0,0,0,1,0|2,0,0]=4 729 B6R0.2 CN(C)CC(=O)O Z235580496 [1,0,0,0,1,0|2,0,0]=4 730 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,0,0,0,1,0|0,0,0]=2 731 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,0,0,0,1,0|1,0,1]=4 732 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,2,0|0,0,2]=4 733 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,2,0|2,0,0]=4 734 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,2,0|2,0,0]=4 735 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,2,0|2,0,0]=4 736 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,2,0|1,0,0]=3 737 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,2,0|0,0,0]=2 738 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,2,0|2,0,0]=4 739 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,2,0|1,0,0]=3 740 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,2,0|0,0,0]=2 741 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,2,0|1,0,0]=3 742 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,2,0|0,0,0]=2 743 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,2,0|2,0,0]=4 744 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,2,0|2,0,0]=4 745 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,2,0|2,0,0]=4 746 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,2,0|1,0,0]=3 747 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,2,0|1,0,0]=3 748 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,2,0|1,0,0]=3 749 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,2,0|2,0,0]=4 750 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,2,0|1,0,0]=3 751 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,2,0|1,0,0]=3 752 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,2,0|1,0,0]=3 753 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,0,0,0,0,2|1,0,0]=3