0 B6R0.4 C(CC(=O)O)C#N BC670380 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C(CC(=O)O)CBr BC219750 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 C(CC(=O)O)CN BC204189 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.4 C(\C=C\C(=O)O)O BC224091 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C=CCCC(=O)O BC678220 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 C=CCOC(=O)Cl BC676725 [0,0,0,0,0,0|1,1,2]=4 6 B6R0.4 CC(=O)OCC=C BC219433 [0,0,0,0,0,0|0,1,2]=3 7 B6R0.4 CC(=O)OCCBr BC677702 [0,0,0,0,0,0|1,1,0]=2 8 B6R0.4 CC(C)CCCBr BC219799 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CN(C)CCCBr BC201788 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 CN(C)CCCBr BC600124 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 CN(C)CCCCl BC225643 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CN(C)CCCCl BC675427 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CN(C)CCCN BC206138 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 CN(C)CCCO BC210758 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 C(CN)C(=O)O BC219368 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 C(CS)C(=O)O BC226809 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CC(=CCBr)C BC211224 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(=O)\C=N/O BC671081 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CCCC(=[NH2+])N BC202602 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CCOC(=O)Cl BC222115 [1,0,0,0,0,0|1,1,0]=3 21 B5R0.1 CN(C)CCCl BC226043 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CSCC(=N)N BC223707 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C[C@H](CCO)O BC655806 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C\C=C\C(=O)O BC206359 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.2 C(CC=O)C=O BC222879 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 C=CCCCBr BC202057 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 CCOCCCl BC214993 [1,0,0,0,0,0|1,1,1]=4 28 B5R0.2 CNCCNC BC686207 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 CCC(C)CC(C)C BC677965 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.3 C=CC(=O)OCCO BC222742 [0,1,0,0,0,0|1,1,1]=4 34 B7R0.3 CCCCC(=O)NN BC211453 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.3 COC(=O)\C=C\CBr BC203932 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.3 COCCC(=O)OC BC210937 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.4 C(CCBr)CC(=O)O BC220689 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.5 CCOC(=O)C(=O)C BC676704 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.5 COCC(C(=O)O)Cl BC686173 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.5 COCC(C(=O)O)N BC686174 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.5 COC[C@H](C(=O)O)N BC679204 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.6 CC(=O)CCC(=O)C BC676318 [0,1,0,0,0,0|1,0,1]=3 49 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.6 CC(=O)CNC(=O)C BC220001 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.6 CC(C)COC(=O)Cl BC226048 [0,1,0,0,0,0|1,1,0]=3 52 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.8 CCCC[N+](C)(C)C BC202405 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,0,0,1,0,0|1,0,2]=4 57 B7R1.2 CC1=NNC(=O)C1 BC649952 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.3 C1CC(=O)CNC1 BC677163 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.3 C1CCC(=O)CC1 BC214118 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.3 C1CCC(CC1)N BC206665 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.3 C1CCNC(C1)O BC219297 [0,0,0,1,0,0|1,0,2]=4 62 B7R1.3 C1CNC(=O)CN1 BC204568 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.3 C1CNCCC1=O BC222569 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.3 C1COC(=O)CO1 BC683885 [0,0,0,1,0,0|1,1,0]=3 65 B7R1.3 C1COC(=O)OC1 BC201342 [0,0,0,1,0,0|1,1,0]=3 66 B7R1.3 C1COCCC1=O BC210699 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.3 CC1CCCCN1 BC200305 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 C[C@H]1CCCCN1 BC209006 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.14 C1CCS(=O)(=O)C1 BC200816 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.14 C1COS(=O)(=O)C1 BC201347 [0,0,0,1,0,0|2,1,0]=4 71 B7R1.18 C1C(CN1)C(=O)O BC202058 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.18 C1C(CN1)C(=O)O BC225187 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.18 C1COC1C(=O)O BC653175 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.20 C1CC1CC(=O)O BC205620 [0,0,0,1,0,0|2,0,0]=3 76 B4R0.1 C(C(=O)N)N BC679380 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 C(C(=O)O)Br BC651357 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 C(C(=O)O)N BC204500 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 C(C(=O)[O-])S BC223764 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 CC(=O)CBr BC253377 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 CC(=O)CN BC220002 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 CC(=O)NN BC211460 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.1 CCC(=O)Cl BC658482 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 CC[C@@H](C)N BC678458 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 COC(=O)Cl BC225650 [2,0,0,0,0,0|1,1,0]=4 86 B4R0.1 COC(=O)N BC219589 [2,0,0,0,0,0|1,1,0]=4 87 B4R0.2 CCCC#N BC207705 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.2 CCOC=C BC208832 [2,0,0,0,0,0|0,1,1]=4 89 B4R0.2 CC[NH2+]CC BC620750 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.2 CSCC=O BC296573 [2,0,0,0,0,0|1,0,0]=3 91 B4R0.2 C\C=C\CN BC220709 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.1 C(C(=O)NCO)Cl BC214951 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.1 CCOC(=O)C#C BC219557 [1,1,0,0,0,0|0,1,1]=4 94 B6R0.1 CCOC(=O)C=O BC222485 [1,1,0,0,0,0|0,1,1]=4 95 B6R0.1 CCOC(=O)CBr BC206664 [1,1,0,0,0,0|0,1,0]=3 96 B6R0.1 CCOC(=O)CN BC676695 [1,1,0,0,0,0|0,1,0]=3 97 B6R0.1 CCOC(=O)NO BC202244 [1,1,0,0,0,0|1,1,0]=4 98 B6R0.1 COC(=O)CCS BC219495 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.2 CC(C)CC(=O)O BC677309 [1,1,0,0,0,0|1,0,0]=3 100 B6R0.2 CC(CC(=O)O)N BC233414 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.2 CC(CC(=O)O)N BC675902 [1,1,0,0,0,0|1,0,0]=3 102 B6R0.2 CC(CN(C)C)Cl BC214983 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.2 CC(CN(C)C)N BC600236 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.2 CC(CN(C)C)N BC640377 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.2 CC(OC(=O)C)Br BC650646 [1,1,0,0,0,0|0,1,0]=3 106 B6R0.2 CN(C)CC(=O)Cl BC252135 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [1,1,0,0,0,0|1,0,0]=3 108 B6R0.2 C[C@H](CC(=O)O)N BC677178 [1,1,0,0,0,0|1,0,0]=3 109 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [1,1,0,0,0,0|0,0,2]=4 110 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [1,1,0,0,0,0|0,0,2]=4 111 B6R0.3 C(C(C(=O)O)N)N BC202898 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 C(C(C(=O)O)N)O BC205416 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 C([C@@H](C(=O)O)O)N BC210645 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.3 CC(=O)C(=O)CBr BC241276 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.3 CC(=O)N(C)OC BC210650 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 CC[C@@H](C(=O)N)N BC209264 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 CC[C@H](C(=O)O)N BC681077 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.5 CS(=O)(=O)CCN BC685474 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.6 CCCCCCS BC231905 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.6 CCCNCCC BC219597 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.6 CCCSSSC BC218808 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.6 CCC\C=C\C=O BC231929 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,2,0,0,0,0|1,0,1]=4 130 B8R0.19 CCC(=O)CC(=O)OC BC651002 [0,2,0,0,0,0|1,0,1]=4 131 B8R0.19 COC(=O)C[C@@H](CBr)O BC201655 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.23 CC(C)CC(=O)C(=O)[O-] BC219743 [0,2,0,0,0,0|2,0,0]=4 133 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.1 CCOC(=O)CCCN BC200163 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.1 CCOCC(=O)OCC BC224632 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.3 CCOC(=O)C(=O)CBr BC219415 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.3 COC(=O)C(CCBr)Br BC243321 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.3 COC(=O)[C@@H](CCCl)N BC222662 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.3 COCC(C(=O)OC)N BC654794 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.6 CCCCOC(=O)C=O BC202578 [0,2,0,0,0,0|0,1,1]=4 141 B8R0.6 COC(=O)COCCCl BC214305 [0,2,0,0,0,0|1,1,0]=4 142 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.8 CC(=C)C(=O)NCCO BC669167 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.8 CSCCC(C(=O)O)N BC201484 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.8 CSCCC(C(=O)[O-])O BC650591 [0,2,0,0,0,0|2,0,0]=4 148 B8R0.8 CSCC[C@@H](C(=O)N)N BC215117 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.9 CC(COC(=O)C=C)O BC222741 [0,2,0,0,0,0|0,1,1]=4 150 B8R0.7 C(CCC(=O)O)CCBr BC206267 [0,2,0,0,0,0|2,0,0]=4 151 B8R0.7 C(CCC(=O)O)CCN BC204341 [0,2,0,0,0,0|2,0,0]=4 152 B8R0.7 CC(=O)OCCOCBr BC224182 [0,2,0,0,0,0|0,1,0]=3 153 B8R0.21 CCCCOS(=O)(=O)C BC224238 [0,2,0,0,0,0|1,1,0]=4 154 B8R0.28 CC(C)CCNC(=O)C BC600079 [0,2,0,0,0,0|1,0,0]=3 155 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,1,0,0|0,0,2]=4 156 B6R1.2 C1CC(=O)NC1 BC225697 [1,0,0,1,0,0|1,0,0]=3 157 B6R1.2 C1CCC(C1)Cl BC221902 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.2 C1CNC(=O)N1 BC202712 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.2 C1CNCC1=O BC208274 [1,0,0,1,0,0|1,0,0]=3 160 B6R1.2 C1COCC1=O BC244549 [1,0,0,1,0,0|1,0,0]=3 161 B6R1.2 C1CSC(=N1)N BC216465 [1,0,0,1,0,0|2,0,0]=4 162 B6R1.2 CC1CCCN1 BC208988 [1,0,0,1,0,0|1,0,1]=4 163 B6R1.2 CC1CCCO1 BC205640 [1,0,0,1,0,0|0,0,2]=4 164 B6R1.2 C[C@@H]1CCCN1 BC677871 [1,0,0,1,0,0|1,0,1]=4 165 B6R1.2 C[C@H]1CCCN1 BC208991 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.11 C1C(O1)C(=O)O BC224303 [1,0,0,1,0,0|2,0,0]=4 167 B6R1.11 C1CC1C(=N)N BC210033 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.1 C1CC=COC1 BC208296 [1,0,0,1,0,0|0,1,1]=4 169 B6R1.1 C1CSCSC1 BC219460 [1,0,0,1,0,0|0,1,1]=4 170 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.4 C1CNC(=O)CC1N BC678826 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.4 C1CNC(=O)CC1O BC678827 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.2 C1CCC(CC1)C=O BC205561 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,1,0,1,0,0|1,0,1]=4 176 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.5 C1CCC(=O)C(=O)C1 BC680226 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.5 C1CCN(C(=O)C1)N BC682035 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.5 C1CN(C(=O)OC1)N BC636881 [0,1,0,1,0,0|1,1,0]=4 183 B8R1.5 C1COCC(C1=O)O BC600171 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.5 CC1CNCCC1=O BC219286 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.22 C1CNCCNC1=O BC270533 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.22 C1COCC(=O)CO1 BC686130 [0,1,0,1,0,0|1,1,0]=4 189 B8R1.38 COC(=O)C1CNC1 BC678556 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.7 C1CC(OC1)C(=O)O BC226570 [0,1,0,1,0,0|1,1,0]=4 191 B8R1.7 C1CNCC1C(=O)O BC202146 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [0,1,0,1,0,0|1,1,0]=4 196 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.7 CC(=O)C1CCCC1 BC225383 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.72 C1CCS(=O)(=O)OC1 BC222891 [0,1,0,1,0,0|1,1,0]=4 199 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.54 C1CC1[C@@H](C(=O)O)N BC225197 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.54 C1CC1[C@H](C(=O)O)N BC225198 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.77 CC1(C[C@@H]1C(=O)N)C BC205635 [0,1,0,1,0,0|2,0,0]=4