0 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)c1cc(cs1)Cl BC226225 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 Cc1[nH]cc(n1)C(=O)O BC679140 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 Cc1cc(n[nH]1)[N+](=O)[O-] BC262373 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.35 Cc1cc(no1)C(=O)Cl BC684298 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 Cc1cc(no1)C(=O)O BC650587 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 Cc1cc(on1)C(=O)O BC645510 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 Cc1ccc(s1)C(=O)O BC213236 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 Cc1cnc(s1)C(=O)O BC675563 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 Cc1csc(n1)C(=O)O BC675561 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 Cc1nc(co1)C(=O)O BC203608 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 Cc1ncc(s1)C(=O)O BC681903 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 Cn1cc(nc1)C(=O)O BC219620 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 Cn1cnc(n1)C(=O)O BC256926 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 c1(nc([nH]n1)N)C(=O)O BC215681 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 c1c(csc1C(=O)O)Br BC676028 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 c1cc(sc1C(=O)O)Cl BC219931 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 Cc1cc(sc1)C=O BC645199 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 Cc1csc(n1)C=O BC203023 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 Cc1ncc(s1)C=O BC650857 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 c1c(coc1C=O)Br BC645867 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 c1c(csc1C=O)Br BC678555 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 B(c1cc[nH]n1)(O)O BC207936 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.7 c1[nH]nc(n1)C(=O)N BC210704 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 c1c([nH]cn1)C(=O)O BC223837 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.7 c1c(n[nH]n1)[N+](=O)[O-] BC653735 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.7 c1c(nco1)C(=O)O BC677324 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 c1c(scn1)C(=O)O BC677323 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 c1c[nH]nc1C(=O)O BC203654 [1,0,0,0,0,0|0,0,0]=1 31 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 c1cnsc1C(=O)O BC202175 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.7 c1cocc1C(=O)Cl BC650563 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 c1conc1C(=O)O BC207645 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.7 c1csc(n1)C(=O)O BC651955 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 c1cscc1C(=O)Cl BC681079 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 c1cscc1C(=O)O BC213229 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.14 COC(=O)c1cc(cs1)N BC672043 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.14 Cc1nc(co1)C(=O)OC BC203607 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.31 COc1cc(sc1)C(=O)Cl BC676009 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.31 c1c(csc1C(=O)O)C#N BC645474 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.13 B(c1ccc(cn1)C)(O)O BC210680 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.13 CC(=O)c1ccc(cn1)Br BC655306 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.13 Cc1ccc(cn1)C(=O)C BC678853 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.13 Cc1ccc(cn1)C(=O)O BC227043 [0,0,0,0,0,1|1,0,1]=3 48 B10R1.13 Cc1ccc(nc1)C(=O)O BC207540 [0,0,0,0,0,1|1,0,0]=2 49 B10R1.13 Cc1cnc(cn1)C(=O)O BC675245 [0,0,0,0,0,1|1,0,0]=2 50 B10R1.13 Cc1ncc(cn1)C(=O)O BC228072 [0,0,0,0,0,1|1,0,1]=3 51 B10R1.13 c1c(cnc(n1)C(=O)O)Br BC222390 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] BC208272 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.13 c1c(ncc(n1)Cl)C(=O)O BC220986 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.13 c1c(ncc(n1)O)C(=O)O BC220987 [0,0,0,0,0,1|2,0,0]=3 55 B10R1.13 c1cc(ccc1C(=O)O)I BC210636 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 c1cc(ccc1C(=O)O)N BC227499 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.13 c1cc(ccc1C(=O)O)O BC228180 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.13 c1cc(ncc1Br)C(=O)O BC213733 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.13 c1cc(ncc1C(=O)O)F BC214606 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.13 c1cc(ncc1C(=O)O)N BC213736 [0,0,0,0,0,1|2,0,1]=4 61 B10R1.13 c1cc(ncc1C(=O)O)O BC215635 [0,0,0,0,0,1|2,0,1]=4 62 B10R1.13 c1cc(ncc1Cl)C(=O)O BC224603 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.13 c1cc(ncc1F)C(=O)O BC224604 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.13 c1cc(ncc1N)C(=O)N BC228144 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.13 c1cc(ncc1N)C(=O)O BC210785 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.13 c1cc(ncc1O)C(=O)O BC224042 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.13 c1cc(nnc1C(=O)O)Cl BC686205 [0,0,0,0,0,1|1,0,1]=3 68 B10R1.113 B(c1cc(cnc1)C)(O)O BC210681 [0,0,0,0,0,1|2,0,1]=4 69 B10R1.113 CC(=O)c1cc(cnc1)Br BC200353 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.113 Cc1cc(cnc1)C(=O)O BC212576 [0,0,0,0,0,1|1,0,0]=2 71 B10R1.113 Cc1cccc(n1)C(=O)O BC210679 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.113 Cc1ccnc(c1)C(=O)C BC217946 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.113 Cc1nccc(n1)C(=O)O BC684779 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.113 c1c(cncc1Br)C(=O)O BC213725 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.113 c1c(cncc1F)C(=O)O BC228161 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.113 c1c(cncc1N)C(=O)O BC207804 [0,0,0,0,0,1|2,0,0]=3 77 B10R1.113 c1c(cncc1O)C(=O)O BC206883 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.113 c1c(nc(cn1)Cl)C(=O)O BC686580 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.113 c1c(ncnc1Cl)C(=O)O BC652478 [0,0,0,0,0,1|1,0,1]=3 80 B10R1.113 c1c(ncnc1O)C(=O)O BC202213 [0,0,0,0,0,1|1,0,1]=3 81 B10R1.113 c1cc(cc(c1)Cl)C(=O)O BC225403 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.113 c1cc(cc(c1)O)C(=O)O BC676293 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.113 c1cnc(cc1Br)C(=O)O BC208210 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.113 c1cnc(cc1C(=O)O)Br BC207062 [0,0,0,0,0,1|2,0,1]=4 85 B10R1.113 c1cnc(cc1C(=O)O)Cl BC209274 [0,0,0,0,0,1|2,0,1]=4 86 B10R1.113 c1cnc(cc1C(=O)O)N BC220337 [0,0,0,0,0,1|2,0,1]=4 87 B10R1.113 c1cnc(cc1Cl)C(=O)O BC202385 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.113 c1cnc(cc1N)C(=O)O BC651732 [0,0,0,0,0,1|2,0,0]=3 89 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [1,0,1,0,0,0|1,0,0]=3 90 B7R1.1 c1c(nc[nH]1)C=O BC207063 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.1 c1c[nH]nc1C=O BC207627 [2,0,0,0,0,0|0,0,0]=2 92 B7R1.1 c1c[nH]nc1CO BC657829 [2,0,0,0,0,0|0,0,1]=3 93 B7R1.1 c1cc([nH]c1)C=O BC210794 [2,0,0,0,0,0|1,0,1]=4 94 B7R1.1 c1cc(sc1)C=O BC225721 [2,0,0,0,0,0|2,0,0]=4 95 B7R1.1 c1cnc([nH]1)C=O BC219962 [2,0,0,0,0,0|2,0,0]=4 96 B7R1.1 c1cnsc1C=O BC677321 [2,0,0,0,0,0|1,0,1]=4 97 B7R1.1 c1conc1C=O BC201897 [2,0,0,0,0,0|1,0,0]=3 98 B7R1.1 c1cscc1C=O BC676777 [2,0,0,0,0,0|2,0,0]=4 99 B7R1.2 CC1=CC(=O)CC1 BC243785 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.2 Cc1cc(n[nH]1)C BC227849 [2,0,0,0,0,0|0,0,1]=3 101 B7R1.2 Cc1cc(no1)N BC200452 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.11 COC(=O)c1c[nH]cn1 BC220005 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.11 COC(=O)c1cc[nH]n1 BC224095 [1,1,0,0,0,0|0,0,0]=2 104 B9R1.11 COC(=O)c1ccco1 BC218745 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.41 Cc1c(nco1)C(=O)O BC650836 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.41 Cc1c(ncs1)C(=O)O BC652152 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.41 Cn1c(ccn1)C(=O)O BC649926 [1,1,0,0,0,0|0,0,2]=4 108 B9R1.41 c1csc(c1C(=O)O)F BC655882 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.41 c1csc(c1N)C(=O)O BC288632 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.3 CCc1ccc(cc1)C(=O)O BC250059 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.3 CNc1ccc(cc1)C(=O)O BC214404 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.3 COc1ccc(cn1)C(=O)O BC681662 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.3 COc1ccc(nc1)C(=O)O BC650815 [0,1,0,0,0,1|1,0,0]=3 114 B11R1.3 c1cc(ccc1CBr)C(=O)O BC211697 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.3 c1cc(ccc1CN)C(=O)O BC219606 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.3 c1cc(ccc1CO)C(=O)O BC215027 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.21 Cc1cc(ncc1Br)C(=O)O BC298265 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.21 Cc1cc(ncc1Br)C(=O)O BC672119 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.21 Cc1ccc(cc1Br)C(=O)O BC203701 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.21 Cc1ccc(cc1C)C(=O)O BC215410 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.21 Cc1ccc(cc1I)C(=O)O BC207738 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.21 Cc1ccc(cc1N)C(=O)O BC201386 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.21 Cc1ccc(cc1O)C(=O)O BC676273 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O BC200650 [0,1,0,0,0,1|1,0,0]=3 125 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O BC220525 [0,1,0,0,0,1|1,0,0]=3 126 B11R1.21 c1cc(nc(c1F)Br)C(=O)O BC297809 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.21 c1cc(nc(c1F)F)C(=O)O BC214611 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.22 COC(=O)c1ccc(cn1)Br BC219158 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.22 COC(=O)c1ccc(cn1)O BC224006 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.22 COC(=O)c1cnc(cn1)Cl BC208084 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.22 COC(=O)c1cnc(cn1)O BC219767 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.22 Cc1ccc(cn1)C(=O)OC BC207925 [0,1,0,0,0,1|1,0,1]=4 133 B11R1.166 Cc1cc(c(cn1)C(=O)O)O BC216112 [0,1,0,0,0,1|1,0,1]=4 134 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O BC676276 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.166 Cc1ccc(c(c1)F)C(=O)O BC225677 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.166 Cc1ccc(c(c1)N)C(=O)O BC225271 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl BC220335 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.23 COC(=O)c1cc(ccn1)N BC208664 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.23 COC(=O)c1cc(cnc1)Br BC207471 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.23 Cc1cccc(c1)C(=O)OC BC219811 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.74 Cc1cc(cc(c1)N)C(=O)O BC676237 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.74 Cc1cc(cc(c1)O)C(=O)O BC203205 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl BC678015 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.159 Cc1cccc(c1Br)C(=O)O BC202429 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.159 Cc1cccc(c1F)C(=O)O BC220220 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.159 Cc1cccc(c1N)C(=O)O BC210202 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br BC676166 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl BC207064 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.167 Cc1ccc(c(c1)C(=O)O)F BC220223 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.167 Cc1ccc(c(c1)C(=O)O)I BC676196 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O BC201462 [0,1,0,0,0,1|1,0,1]=4 152 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl BC219210 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F BC219207 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl BC219211 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.167 c1c(cnc(c1C(=O)O)F)F BC214613 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl BC228739 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.167 c1c(cnc(c1C(=O)O)O)Br BC209271 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.167 c1c(cnc(c1C(=O)O)O)F BC219212 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.266 COc1ccnc(c1)C(=O)O BC645914 [0,1,0,0,0,1|1,0,0]=3 160 B11R1.266 c1c(cncc1C(=O)O)C#N BC207474 [0,1,0,0,0,1|1,0,1]=4 161 B11R1.266 c1cc(cc(c1)C(=O)O)CN BC211732 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.266 c1cc(cc(c1)C(=O)O)CO BC211729 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.15 CCOC(=O)c1c[nH]c(n1)C BC679139 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.175 CC(C)c1cc(n[nH]1)C(=O)O BC262244 [0,2,0,0,0,0|0,0,0]=2 165 B11R1.175 c1c([nH]nc1C(=O)O)C(=O)O BC227853 [0,2,0,0,0,0|0,0,1]=3 166 B11R1.175 c1c(n[nH]c1[N+](=O)[O-])C(=O)O BC670360 [0,2,0,0,0,0|1,0,0]=3 167 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [0,0,1,1,0,0|2,0,0]=4 168 B9R1.2 c1c(cncc1F)C=O BC227139 [1,0,0,0,0,1|2,0,0]=4 169 B9R1.13 c1c(nc[nH]1)CC(=O)O BC224082 [1,0,0,0,0,1|2,0,0]=4 170 B9R1.13 c1cc(sc1)CC(=O)O BC201507 [1,0,0,0,0,1|2,0,0]=4 171 B9R1.13 c1cnc([nH]1)CC(=O)O BC237657 [1,0,0,0,0,1|2,0,0]=4 172 B9R1.13 c1cnn(c1)CC(=O)O BC620120 [1,0,0,0,0,1|2,0,0]=4 173 B11R1.157 c1c(cncc1Br)CC(=O)O BC670873 [0,0,0,0,0,2|2,0,0]=4