0 B7R1.3 C1C=COCC1=O BC245013 [0,0,0,0,0,0|1,0,2]=3 1 B7R1.3 C1CC(=O)CNC1 BC677163 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.3 C1CC(CNC1)N BC205656 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 C1CC(CNC1)N BC226535 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 C1CC(COC1)O BC666036 [0,0,0,0,0,0|1,0,3]=4 5 B7R1.3 C1CCC(=O)CC1 BC214118 [0,0,0,0,0,0|0,0,2]=2 6 B7R1.3 C1CCC(CC1)N BC206665 [0,0,0,0,0,0|1,0,3]=4 7 B7R1.3 C1CCNC(C1)O BC219297 [0,0,0,0,0,0|1,0,3]=4 8 B7R1.3 C1CNC(=O)CN1 BC204568 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.3 C1CNCCC1=O BC222569 [0,0,0,0,0,0|1,0,2]=3 10 B7R1.3 C1COC(=O)CO1 BC683885 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 C1COC(=O)OC1 BC201342 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 C1COCCC1=O BC210699 [0,0,0,0,0,0|1,0,2]=3 13 B7R1.3 C1C[C@@H](CNC1)O BC208981 [0,0,0,0,0,0|1,0,3]=4 14 B7R1.3 C1C[C@H](CNC1)N BC209976 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 C1C[C@H](CNC1)O BC679086 [0,0,0,0,0,0|1,0,3]=4 16 B7R1.3 CC1CCCCN1 BC200305 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 C[C@H]1CCCCN1 BC209006 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.3 C[C@H]1CCCNC1 BC208984 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.3 Cc1cccnc1 BC228007 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.3 c1cc(cnc1)Cl BC209276 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.3 c1cc(cnc1)I BC225230 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.3 c1cc(cnc1)S BC244412 [0,0,0,0,0,0|1,1,2]=4 25 B7R1.3 c1cc(nnc1)Cl BC675997 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.3 c1cc(nnc1)N BC649957 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.3 c1ccnc(c1)Cl BC653330 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 c1cnc[nH]c1=O BC209585 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 c1cnccc1Br BC204910 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.3 c1cnccc1F BC219199 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.3 c1cnccc1F BC227092 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.3 c1cnccc1I BC206126 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.3 c1cnccc1N BC227053 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.3 c1cncnc1Cl BC667224 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.3 c1cncnc1N BC653395 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.3 c1cncnc1O BC228083 [0,0,0,0,0,0|2,0,2]=4 37 B7R1.3 c1cnncc1Br BC659695 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.3 c1cnncc1N BC659705 [0,0,0,0,0,0|3,0,1]=4 39 B6R1.1 C1CC=CC=C1 BC207599 [1,0,0,0,0,0|0,0,1]=2 40 B6R1.1 C1CC=COC1 BC208296 [1,0,0,0,0,0|1,0,0]=2 41 B6R1.1 C1CSCSC1 BC219460 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.1 c1ccncc1 BC220698 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.2 C1CCC(CC1)C=O BC205561 [0,1,0,0,0,0|0,0,3]=4 44 B8R1.2 c1cc(cnc1)C=O BC221128 [0,1,0,0,0,0|1,0,2]=4 45 B8R1.2 c1cc(nnc1)C=O BC667339 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.2 c1ccc(cc1)N=O BC684726 [0,1,0,0,0,0|0,0,3]=4 47 B8R1.2 c1cncnc1C=O BC652156 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [0,1,0,0,0,0|0,0,3]=4 49 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,1,0,0,0,0|0,0,3]=4 50 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,1,0,0,0,0|1,0,2]=4 51 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,1,0,0,0,0|0,0,2]=3 53 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,1,0,0,0,0|1,0,2]=4 54 B8R1.3 c1cc(n[nH]c1=O)Cl BC225810 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [0,1,0,0,0,0|1,0,1]=3 56 B8R1.4 C1CNC(=O)CC1N BC678826 [0,1,0,0,0,0|1,0,1]=3 57 B8R1.4 C1CNC(=O)CC1O BC678827 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.4 c1c(cn[nH]c1=O)I BC244710 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,1,0,0,0,0|1,0,2]=4 60 B8R1.5 C1CCC(=O)C(=O)C1 BC680226 [0,1,0,0,0,0|0,0,1]=2 61 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [0,1,0,0,0,0|0,0,2]=3 62 B8R1.5 C1CCN(C(=O)C1)N BC682035 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.5 C1CN(C(=O)OC1)N BC636881 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.5 C1COCC(C1=O)O BC600171 [0,1,0,0,0,0|1,0,2]=4 65 B8R1.5 CC1CNCCC1=O BC219286 [0,1,0,0,0,0|1,0,2]=4 66 B8R1.5 c1c(c(=O)nc[nH]1)Br BC666251 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.72 C1CCS(=O)(=O)OC1 BC222891 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 CCOC(=O)C#C BC219557 [0,0,1,0,0,0|1,0,2]=4 70 B6R0.1 CCOC(=O)C=O BC222485 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.1 CCOC(=O)CBr BC206664 [0,0,1,0,0,0|2,0,1]=4 72 B6R0.1 CCOC(=O)CN BC676695 [0,0,1,0,0,0|2,0,1]=4 73 B6R0.1 CCOC(=O)NO BC202244 [0,0,1,0,0,0|3,0,0]=4 74 B6R0.1 COC(=O)CCS BC219495 [0,0,1,0,0,0|2,0,1]=4 75 B6R0.4 C(CC(=O)O)C#N BC670380 [0,0,1,0,0,0|2,0,1]=4 76 B6R0.4 C(CC(=O)O)CBr BC219750 [0,0,1,0,0,0|2,0,0]=3 77 B6R0.4 C(CC(=O)O)CN BC204189 [0,0,1,0,0,0|2,0,0]=3 78 B6R0.4 C(\C=C\C(=O)O)O BC224091 [0,0,1,0,0,0|2,0,0]=3 79 B6R0.4 C=CCCC(=O)O BC678220 [0,0,1,0,0,0|1,0,1]=3 80 B6R0.4 C=CCOC(=O)Cl BC676725 [0,0,1,0,0,0|2,0,1]=4 81 B6R0.4 CC(=O)OCC=C BC219433 [0,0,1,0,0,0|1,0,2]=4 82 B6R0.4 CC(=O)OCCBr BC677702 [0,0,1,0,0,0|2,0,1]=4 83 B6R0.6 CCC\C=C\C=O BC231929 [0,0,1,0,0,0|0,0,0]=1 84 B6R1.2 C1C(=O)O[Pt]O1 BC679461 [0,0,0,0,1,0|3,0,0]=4 85 B6R1.2 C1C=CC(=O)O1 BC201413 [0,0,0,0,1,0|1,0,0]=2 86 B6R1.2 C1CC(=O)C=C1 BC652225 [0,0,0,0,1,0|0,0,0]=1 87 B6R1.2 C1CC(=O)NC1 BC225697 [0,0,0,0,1,0|1,0,0]=2 88 B6R1.2 C1CCC(C1)Cl BC221902 [0,0,0,0,1,0|1,0,2]=4 89 B6R1.2 C1CNC(=O)N1 BC202712 [0,0,0,0,1,0|2,0,0]=3 90 B6R1.2 C1CNCC1=O BC208274 [0,0,0,0,1,0|1,0,1]=3 91 B6R1.2 C1COCC1=O BC244549 [0,0,0,0,1,0|1,0,1]=3 92 B6R1.2 C1COS(=O)O1 BC201343 [0,0,0,0,1,0|3,0,0]=4 93 B6R1.2 C1CSC(=N1)N BC216465 [0,0,0,0,1,0|3,0,0]=4 94 B6R1.2 CC1CCCN1 BC208988 [0,0,0,0,1,0|2,0,1]=4 95 B6R1.2 CC1CCCO1 BC205640 [0,0,0,0,1,0|2,0,1]=4 96 B6R1.2 C[C@@H]1CCCN1 BC677871 [0,0,0,0,1,0|2,0,1]=4 97 B6R1.2 C[C@H]1CCCN1 BC208991 [0,0,0,0,1,0|2,0,1]=4 98 B6R1.2 Cc1ccno1 BC226936 [0,0,0,0,1,0|3,0,0]=4 99 B6R1.2 c1c[nH]nc1Br BC221788 [0,0,0,0,1,0|3,0,0]=4 100 B6R1.2 c1c[nH]nc1N BC207676 [0,0,0,0,1,0|3,0,0]=4 101 B6R1.2 c1cc(oc1)Br BC675565 [0,0,0,0,1,0|2,0,1]=4 102 B6R1.2 c1cc(sc1)Br BC676814 [0,0,0,0,1,0|2,0,1]=4 103 B6R1.2 c1cc(sc1)Br BC677960 [0,0,0,0,1,0|2,0,1]=4 104 B6R1.2 c1cc(sc1)F BC211749 [0,0,0,0,1,0|2,0,1]=4 105 B6R1.2 c1cocc1Br BC227194 [0,0,0,0,1,0|2,0,1]=4 106 B6R1.2 c1conc1N BC215684 [0,0,0,0,1,0|3,0,0]=4 107 B6R1.2 c1cscc1Br BC210528 [0,0,0,0,1,0|2,0,1]=4 108 B6R1.2 c1cscc1N BC677154 [0,0,0,0,1,0|2,0,1]=4 109 B6R1.2 c1cscc1N BC686803 [0,0,0,0,1,0|2,0,1]=4 110 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,0,0,0,0,1|0,0,2]=3 111 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,0,0,0,0,1|0,0,2]=3 112 B8R1.22 C1CNCCNC1=O BC270533 [0,0,0,0,0,1|1,0,1]=3 113 B8R1.22 C1COCC(=O)CO1 BC686130 [0,0,0,0,0,1|1,0,1]=3 114 B5R0.1 C(CN)C(=O)O BC219368 [1,0,1,0,0,0|2,0,0]=4 115 B5R0.1 C(CS)C(=O)O BC226809 [1,0,1,0,0,0|2,0,0]=4 116 B5R0.1 CC(=CCBr)C BC211224 [1,0,1,0,0,0|2,0,0]=4 117 B5R0.1 CC(=O)\C=N/O BC671081 [1,0,1,0,0,0|2,0,0]=4 118 B5R0.1 CCCC(=[NH2+])N BC202602 [1,0,1,0,0,0|2,0,0]=4 119 B5R0.1 CCOC(=O)Cl BC222115 [1,0,1,0,0,0|2,0,0]=4 120 B5R0.1 C\C=C\C(=O)O BC206359 [1,0,1,0,0,0|1,0,0]=3 121 B5R0.2 C(CC=O)C=O BC222879 [1,0,1,0,0,0|1,0,0]=3 122 B5R0.2 C=CCCCBr BC202057 [1,0,1,0,0,0|1,0,0]=3 123 B5R0.3 COC(=O)C=C BC222749 [1,0,1,0,0,0|1,0,0]=3 124 B5R0.3 COC(=O)C=O BC202567 [1,0,1,0,0,0|2,0,0]=4 125 B5R0.3 COC(=O)CN BC215108 [1,0,1,0,0,0|2,0,0]=4 126 B5R0.3 COC(=O)OC BC205807 [1,0,1,0,0,0|2,0,0]=4 127 B7R0.2 C[C@@H](CC(=O)OC)O BC228164 [0,1,1,0,0,0|1,0,1]=4 128 B7R0.3 C=CC(=O)OCCO BC222742 [0,1,1,0,0,0|1,0,0]=3 129 B7R0.3 C=CCNC(=O)C=C BC669442 [0,1,1,0,0,0|0,0,2]=4 130 B7R0.3 CCCCC(=O)NN BC211453 [0,1,1,0,0,0|2,0,0]=4 131 B7R0.3 COC(=O)\C=C\CBr BC203932 [0,1,1,0,0,0|1,0,0]=3 132 B7R0.3 COCCC(=O)OC BC210937 [0,1,1,0,0,0|1,0,1]=4 133 B7R0.5 CCOC(=O)C(=O)C BC676704 [0,1,1,0,0,0|1,0,1]=4 134 B7R0.5 CCOC(=O)C(C)F BC221922 [0,1,1,0,0,0|1,0,1]=4 135 B7R0.5 CCOC(=O)[C@H](C)O BC678545 [0,1,1,0,0,0|1,0,1]=4 136 B7R0.7 CCCC(=O)OCCl BC203403 [0,1,1,0,0,0|1,0,1]=4 137 B7R0.7 CCOC(=O)CC=O BC222385 [0,1,1,0,0,0|1,0,1]=4 138 B7R0.10 COC(=O)C(=O)CBr BC208895 [0,1,1,0,0,0|2,0,0]=4 139 B7R0.10 COC(=O)C(=O)OC BC211734 [0,1,1,0,0,0|2,0,0]=4 140 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [0,1,1,0,0,0|1,0,1]=4 141 B7R0.4 C(CCBr)CC(=O)O BC220689 [0,1,1,0,0,0|1,0,1]=4 142 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [0,1,1,0,0,0|1,0,1]=4 143 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [0,1,1,0,0,0|1,0,1]=4 144 B7R0.1 CC\C=C\C=C\C=O BC218794 [0,1,1,0,0,0|0,0,1]=3 145 B7R1.1 C1CC(OC1)C=O BC677017 [0,1,0,0,1,0|1,0,1]=4 146 B7R1.1 C1CCC(C1)C=O BC228665 [0,1,0,0,1,0|0,0,2]=4 147 B7R1.1 c1c[nH]nc1C=O BC207627 [0,1,0,0,1,0|2,0,0]=4 148 B7R1.1 c1cc([nH]c1)C=O BC210794 [0,1,0,0,1,0|1,0,1]=4 149 B7R1.1 c1cc(sc1)C=O BC225721 [0,1,0,0,1,0|1,0,1]=4 150 B7R1.1 c1cnsc1C=O BC677321 [0,1,0,0,1,0|2,0,0]=4 151 B7R1.1 c1conc1C=O BC201897 [0,1,0,0,1,0|2,0,0]=4 152 B7R1.1 c1cscc1C=O BC676777 [0,1,0,0,1,0|1,0,1]=4 153 B7R1.2 C1=CC(=O)OC1=O BC200750 [0,1,0,0,1,0|1,0,1]=4 154 B7R1.2 C1C(=O)NC(=O)N1 BC220746 [0,1,0,0,1,0|2,0,0]=4 155 B7R1.2 C1CC(=O)OC1=O BC676904 [0,1,0,0,1,0|1,0,0]=3 156 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,1,0,0,1,0|1,0,0]=3 157 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,1,0,0,1,0|1,0,0]=3 158 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,1,0,0,1,0|0,0,0]=2 159 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,1,0,0,1,0|1,0,1]=4 160 B7R1.4 C1CC(=C(C1)Br)Br BC213699 [0,1,0,0,1,0|1,0,0]=3 161 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [0,1,0,0,1,0|1,0,0]=3 162 B7R1.4 CC1CCNC1=O BC676006 [0,1,0,0,1,0|1,0,0]=3 163 B7R1.4 CN1CCCC1=O BC675578 [0,1,0,0,1,0|1,0,0]=3 164 B7R1.4 CN1CCNC1=O BC207797 [0,1,0,0,1,0|2,0,0]=4 165 B7R1.4 Cn1c(=O)ccs1 BC200617 [0,1,0,0,1,0|2,0,0]=4 166 B7R1.14 C1CCS(=O)(=O)C1 BC200816 [0,1,0,0,1,0|1,0,1]=4 167 B7R1.14 C1COS(=O)(=O)C1 BC201347 [0,1,0,0,1,0|2,0,0]=4 168 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,1,0,0,0,1|1,0,1]=4 169 B9R1.6 B(C1=CCCCC1)(O)O BC689335 [0,2,0,0,0,0|0,0,2]=4 170 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [0,2,0,0,0,0|0,0,1]=3 171 B9R1.8 C1CCC(=CC1)CCN BC209653 [0,2,0,0,0,0|1,0,1]=4 172 B9R1.10 C1CC(CCC1=O)(F)F BC668157 [0,2,0,0,0,0|0,0,2]=4 173 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [0,0,1,1,0,0|2,0,0]=4 174 B7R1.18 C1COC1C(=O)O BC653175 [0,0,1,1,0,0|2,0,0]=4 175 B7R1.20 C1CC1CC(=O)O BC205620 [0,0,1,1,0,0|1,0,1]=4 176 B9R2.25 C1C2C1C(=O)OC2=O BC680768 [0,1,0,1,0,0|1,0,0]=3 177 B5R1.1 C1C=CCN1 BC204537 [1,0,0,0,1,0|1,0,0]=3 178 B5R1.1 C1C=CCN1 BC678848 [1,0,0,0,1,0|1,0,0]=3 179 B5R1.1 C1COC=C1 BC209508 [1,0,0,0,1,0|1,0,0]=3 180 B5R1.2 C1C(=O)CN1 BC653134 [0,0,0,0,2,0|1,0,0]=3 181 B5R1.2 C1C(=O)CO1 BC254016 [0,0,0,0,2,0|1,0,0]=3 182 B5R1.2 C1C(=O)CS1 BC669058 [0,0,0,0,2,0|1,0,0]=3 183 B5R1.2 C1CC(=O)C1 BC209625 [0,0,0,0,2,0|0,0,0]=2 184 B5R1.2 C1CC(C1)O BC202494 [0,0,0,0,2,0|0,0,2]=4 185 B9R1.50 C1CCCC(=O)CCC1 BC226157 [0,0,0,0,0,2|0,0,2]=4 186 B9R1.50 C1CCCNC(=O)CC1 BC677015 [0,0,0,0,0,2|0,0,2]=4