0 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 Cc1cc([nH]n1)C(=O)O H59899 [0,0,0,0,0,0|0,0,2]=2 2 B9R1.35 Cc1cc(no1)C(=O)Cl H50693 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 Cc1cc(no1)C(=O)N H63986 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 Cc1cc(no1)C(=O)O L17577 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 Cc1cc(on1)C(=O)O H63740 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 Cc1ccc(o1)C(=O)Cl H27697 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 Cc1cnc(s1)C(=O)O H63076 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 Cn1cc(nc1)C(=O)O H51866 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 Cn1ccc(n1)C(=O)O H50317 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 c1([nH]nc(n1)N)C(=O)O A14690 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 c1c(coc1C(=O)N)Br H52355 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 c1c(nc(s1)N)C(=O)O H66459 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 c1c(sc(n1)Br)C(=O)O H27203 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 Cc1cc(no1)C#N H61553 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.1 Cc1cc(no1)CO H61948 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.1 Cc1cc(on1)CO H63114 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.1 Cc1ccc(o1)C=O A13264 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 Cc1ccc(s1)C=O A11119 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 Cn1cc(cn1)C=O H54146 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 c1c(coc1C=O)Br H26994 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 c1c(csc1C=O)Br A13304 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 B(c1cc[nH]n1)(O)O H27286 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.7 C1CC=C(C1)C(=O)O A13271 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.7 CC(=O)c1ccco1 A14938 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 CC(=O)c1ccoc1 H34071 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 CC(=O)c1ccsc1 A11078 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 CC(=O)c1nccs1 A11266 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 c1[nH]nc(n1)[N+](=O)[O-] L06845 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 c1c(nns1)C(=O)O B20842 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.7 c1c(ocn1)C(=O)O H30179 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.7 c1c[nH]cc1C(=O)O H55383 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.7 c1c[nH]nc1C(=O)O B25732 [1,0,0,0,0,0|0,0,0]=1 46 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 c1cc(oc1)C(=O)N B25075 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 c1cc(oc1)C(=O)O A11454 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 c1cc(sc1)C(=O)N A15219 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 c1cc(sc1)C(=O)O A12514 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.7 c1cnoc1C(=O)Cl A14625 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.7 c1cnoc1C(=O)O A13739 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.7 c1cocc1C(=O)O L11629 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 c1conc1C(=O)O H58438 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.7 c1csc(n1)C(=O)O H63620 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 c1cscc1C(=O)Cl H61428 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 c1cscc1C(=O)O A15712 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.14 COC(=O)c1cc(c[nH]1)Br H33918 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.14 COC(=O)c1cc(c[nH]1)I H33193 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.14 Cc1cc(n[nH]1)C(=O)OC H36130 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.14 Cc1cc(no1)C(=O)OC A19814 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.14 Cc1cnc(s1)C(=O)OC H63644 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.31 CSc1ccc(s1)C(=O)O H61106 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.55 Cc1cc(n[nH]1)C(F)(F)F H64308 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.58 Cc1cc(nn1C)C(=O)O H64475 [0,1,0,0,0,0|0,0,0]=1 70 B10R1.58 Cc1cc(sc1C)C(=O)O H27210 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.58 c1c(c(oc1C(=O)O)Br)Br L15517 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.58 c1c(c(sc1C(=O)O)Br)Br B20928 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.59 Cc1c(sc(n1)C)C(=O)O H65732 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O B20635 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.59 Cc1cc(c(o1)C)C(=O)C A15545 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.59 Cc1cc(c(o1)C)C(=O)Cl L18422 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.59 Cc1cc(c(s1)C)C(=O)C A17329 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O L19101 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.194 Cc1c(cnn1C)C(=O)O H58288 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.9 CNC(=O)\C=C/C(=O)O L00614 [0,0,1,0,0,0|2,0,0]=3 81 B8R0.23 CC(=O)NC(=C)C(=O)O L01649 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.23 CC(C)\C=C(/C)\C(=O)O B22701 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.23 C\C(=C\C(=O)O)\C(=O)O L04178 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.28 CC(=O)NCCC(=O)O H50208 [0,0,1,0,0,0|2,0,1]=4 85 B10R1.13 B(c1ccc(cn1)C)(O)O H52517 [0,0,0,0,0,1|2,0,1]=4 86 B10R1.13 C1CC(=O)NN=C1C(=O)O B20289 [0,0,0,0,0,1|1,0,1]=3 87 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,0,0,0,0,1|2,0,1]=4 92 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,0,0,0,0,1|2,0,1]=4 93 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,0,0,0,0,1|1,0,1]=3 94 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,0,0,0,0,1|1,0,0]=2 95 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [0,0,0,0,0,1|1,0,1]=3 96 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,0,0,0,0,1|2,0,0]=3 99 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,0,0,0,0,1|2,0,1]=4 110 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,0,0,0,0,1|2,0,1]=4 111 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,0,0,0,0,1|2,0,1]=4 112 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.113 B(c1cc(cnc1)C)(O)O H52891 [0,0,0,0,0,1|2,0,1]=4 119 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [0,0,0,0,0,1|1,0,1]=3 122 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [0,0,0,0,0,1|2,0,0]=3 123 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [0,0,0,0,0,1|1,0,0]=2 124 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] H31683 [0,0,0,0,0,1|2,0,1]=4 125 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [0,0,0,0,0,1|2,0,0]=3 133 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.113 c1c(cncc1F)C(=O)O H61162 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.113 c1c(cncc1N)C(=O)O H60192 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.113 c1c(cncc1O)C(=O)O H30725 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [0,0,0,0,0,1|2,0,1]=4 147 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [0,0,0,0,0,1|2,0,1]=4 149 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [0,0,0,0,0,1|2,0,1]=4 151 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [0,0,0,0,0,1|2,0,1]=4 152 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [0,0,0,0,0,1|2,0,0]=3 155 B7R0.4 C\C=C\C=C\C(=O)O A16196 [1,0,1,0,0,0|2,0,0]=4 156 B7R0.5 CC\C=C(/C)\C(=O)O A16587 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.5 CC\C=C(/C)\C(=O)O H60391 [1,0,1,0,0,0|1,0,1]=4 158 B7R0.6 C(=C/C(=O)O)/C(=O)O A14596 [1,0,1,0,0,0|2,0,0]=4 159 B7R0.6 C(=C\C(=O)N)/C(=O)N B25200 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.6 C(=C\C(=O)O)/C(=O)O A10976 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.6 C(=C\C(=O)O)/C(=O)O B25440 [1,0,1,0,0,0|2,0,0]=4 162 B7R0.6 C(=C\C(=O)[O-])/C(=O)O B24683 [1,0,1,0,0,0|2,0,0]=4 163 B7R0.6 CC(=O)\C=C\C(=O)O L02185 [1,0,1,0,0,0|1,0,0]=3 164 B7R0.6 CC(C)\C=C\C(=O)O B22639 [1,0,1,0,0,0|1,0,1]=4 165 B7R0.15 C\C=C(\C(=O)O)/OC L19293 [1,0,1,0,0,0|2,0,0]=4 166 B7R1.1 C1C=CC=C1C=O 39254 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.1 C1C=CC=C1C=O 44292 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.1 c1c(nc[nH]1)C=O B25050 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.1 c1c(ncs1)C=O H64028 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.1 c1c(nns1)C=O L20211 [2,0,0,0,0,0|1,0,1]=4 171 B7R1.1 c1c[nH]cc1C=O H35559 [2,0,0,0,0,0|1,0,0]=3 172 B7R1.1 c1cc([nH]c1)C=O A12838 [2,0,0,0,0,0|1,0,1]=4 173 B7R1.1 c1cc(oc1)C=O 31305 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.1 c1cc(oc1)C=O A16167 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.1 c1cc(sc1)C=O A14344 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.1 c1cnc([nH]1)C=O L13883 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.1 c1cocc1C=O A11334 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.1 c1csc(n1)C=O H63329 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.1 c1cscc1C=O A14628 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.2 CC1=CC(=O)CC1 A13993 [2,0,0,0,0,0|2,0,0]=4 181 B7R1.2 Cc1cc(n[nH]1)C A10157 [2,0,0,0,0,0|0,0,1]=3 182 B7R1.2 Cc1cc(n[nH]1)N A11642 [2,0,0,0,0,0|1,0,0]=3 183 B7R1.2 Cc1cc(no1)O 44450 [2,0,0,0,0,0|1,0,0]=3 184 B7R1.2 Cc1cc(on1)C A12217 [2,0,0,0,0,0|1,0,1]=4 185 B7R1.2 c1c(n[nH]c1O)N A11412 [2,0,0,0,0,0|2,0,0]=4 186 B9R0.48 CCNC(=O)\C=C/C(=O)O L00645 [0,1,1,0,0,0|2,0,0]=4 187 B9R1.23 Cc1cc(oc1C)C=O L19314 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.23 Cc1cc(sc1C)C=O H27712 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [1,1,0,0,0,0|0,0,0]=2 192 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [1,1,0,0,0,0|1,0,1]=4 193 B9R1.11 COC(=O)c1ccco1 A14009 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.11 COC(=O)c1cccs1 A12677 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.11 COC(=O)c1ccno1 B25169 [1,1,0,0,0,0|1,0,1]=4 196 B9R1.11 COC(=O)c1ccsc1 H61488 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.11 COC(=O)c1nc[nH]n1 B24750 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.11 COC(=O)c1nccs1 H63496 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.41 Cc1c(cco1)C(=O)O B24928 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.41 Cc1ccoc1C(=O)O L01763 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.41 Cc1ccsc1C(=O)O A19194 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.41 Cn1c(ccn1)C(=O)O H32874 [1,1,0,0,0,0|0,0,2]=4 203 B9R1.41 Cn1cccc1C(=O)O L05906 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.41 Cn1ccnc1C(=O)O H51859 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.41 c1c(c(n[nH]1)N)C(=O)O B23751 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.41 c1csc(c1Br)C(=O)O A11935 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.3 COc1cnc(cn1)C(=O)O H66826 [0,1,0,0,0,1|1,0,0]=3 212 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.3 c1cc(ncc1C#N)C(=O)O H33722 [0,1,0,0,0,1|1,0,1]=4 218 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.21 c1cc(nc(c1Cl)Cl)C(=O)O H64320 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O H64734 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,1,0,0,0,1|1,0,1]=4 233 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,1,0,0,0,1|1,0,1]=4 234 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,1,0,0,0,1|1,0,1]=4 240 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,1,0,0,0,1|1,0,1]=4 241 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [0,1,0,0,0,1|1,0,0]=3 247 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.74 Cc1cc(cc(c1)C(=O)O)C A11198 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.74 Cc1cc(cc(c1)F)C(=O)O H26677 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O L10544 [0,1,0,0,0,1|1,0,1]=4 251 B11R1.74 Cc1cc(cc(n1)O)C(=O)O H27716 [0,1,0,0,0,1|1,0,1]=4 252 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O H63584 [0,1,0,0,0,1|1,0,0]=3 253 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O A18594 [0,1,0,0,0,1|1,0,1]=4 254 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O B25349 [0,1,0,0,0,1|1,0,1]=4 255 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O H54596 [0,1,0,0,0,1|1,0,1]=4 256 B11R1.159 Cc1cccc(c1Br)C(=O)O H32490 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.159 Cc1cccc(c1C)C(=O)O A10383 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.159 Cc1cccc(c1F)C(=O)O A12280 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.159 Cc1cccc(c1I)C(=O)O L19876 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.159 Cc1cccc(c1N)C(=O)O B24230 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.159 Cc1cccc(c1O)C(=O)O L15825 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br H32927 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl B25347 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.167 Cc1ccc(c(c1)C(=O)O)F H26094 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.167 Cc1ccc(c(c1)C(=O)O)N L01513 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.167 Cc1ccc(c(c1)C(=O)O)O B20040 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O L10418 [0,1,0,0,0,1|1,0,1]=4 269 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br H61154 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.266 COc1cccc(c1)C(=O)O A10767 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.266 CSc1cccc(c1)C(=O)O H27200 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.266 c1cc(cc(c1)C(=O)O)CCl H60854 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.266 c1cc(cc(c1)C(=O)O)CN H64546 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.266 c1cnc(cc1C#N)C(=O)O H34233 [0,1,0,0,0,1|1,0,1]=4 277 B11R1.266 c1cnc(cc1CO)C(=O)O H32921 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.15 CCOC(=O)c1cc(n[nH]1)C A12304 [0,2,0,0,0,0|0,0,2]=4 279 B11R1.15 CCOC(=O)c1cc(no1)C H63741 [0,2,0,0,0,0|1,0,1]=4 280 B11R1.15 CCOC(=O)c1cc(on1)C A13226 [0,2,0,0,0,0|1,0,0]=3 281 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC A19980 [0,2,0,0,0,0|1,0,0]=3 282 B11R1.865 Cc1csc(c1N)C(=O)OC A10115 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.175 c1c([nH]nc1C(=O)O)C(=O)O L06731 [0,2,0,0,0,0|0,0,1]=3 284 B11R1.49 CCn1c(cc(n1)C)C(=O)O A11561 [0,2,0,0,0,0|0,0,2]=4 285 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,0,1,1,0,0|0,0,2]=4 286 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,0,1,1,0,0|1,0,1]=4 287 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,0,1,1,0,0|2,0,0]=4 288 B9R1.2 Cc1cccc(c1)C=O A15313 [1,0,0,0,0,1|2,0,0]=4 289 B9R1.2 c1c(cncc1Br)C=O H59224 [1,0,0,0,0,1|2,0,0]=4 290 B9R1.13 c1c(nc[nH]1)CC(=O)O B22473 [1,0,0,0,0,1|2,0,0]=4 291 B9R1.13 c1cc(sc1)CC(=O)O A10394 [1,0,0,0,0,1|2,0,0]=4 292 B9R1.13 c1cscc1CC(=O)O A10700 [1,0,0,0,0,1|2,0,0]=4 293 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,0,0,0,0,2|2,0,0]=4 294 B11R1.20 c1cc(ncc1Br)CC(=O)O H33181 [0,0,0,0,0,2|2,0,0]=4 295 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [0,0,0,0,0,2|2,0,0]=4 296 B11R1.157 c1c(cncc1Br)CC(=O)O L13579 [0,0,0,0,0,2|2,0,0]=4