0 B9R1.35 B(c1cc([nH]n1)C)(O)O TS94351 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.35 B(c1cc(cs1)C)(O)O TS06632 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 C1C(NC(=O)N1)C(=O)O TS36460 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC(=O)c1ncc(s1)Br TS87763 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC(c1cn(cn1)C)O TS91763 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 Cc1[nH]cc(n1)C(=S)N TS37506 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.35 Cc1[nH]cc(n1)[N+](=O)[O-] TS94753 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,0,0,0,0,0|0,0,2]=2 17 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 Cc1cc(no1)C(=O)Cl TS07136 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.35 Cc1cc(no1)C(=S)N TS37587 [0,0,0,0,0,0|2,1,0]=3 22 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,0,0,0,0,0|1,0,1]=2 24 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 Cc1nc(cs1)C(=O)N TS02166 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.35 Cc1nnc(o1)C(=O)O TS29444 [0,0,0,0,0,0|1,0,1]=2 41 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.35 Cn1cc(nc1)C(=O)N TS77120 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.35 c1(n[nH]c(=S)s1)C(=O)N TS11428 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.35 c1c(csc1C(=O)O)F TS09710 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.35 c1c(csc1C(=O)O)N TS14480 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.35 c1c(csc1F)C(=O)O TS87661 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.35 c1c(n[nH]c1N)C(=O)O TS05251 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.35 c1c(n[nH]c1N)C(F)F TS92756 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.1 C(=O)c1nnc(s1)N TS05449 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.1 CCc1cc([nH]n1)N TS03228 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.1 Cc1cc(no1)C=O TS08758 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.1 Cc1cc(no1)CBr TS46034 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.1 Cc1cc(no1)CCl TS09438 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.1 Cc1cc(no1)CN TS08056 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.1 Cc1cc(no1)CO TS70625 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.1 Cc1cc(sc1)C=O TS36137 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.1 Cc1cc(sc1)CO TS05369 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.1 Cc1ccc(o1)C=O TS29447 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.1 Cc1ccc(s1)C=O TS01147 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.1 Cc1coc(n1)C=O TS90033 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.1 Cc1csc(n1)C=O TS86523 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.1 Cc1nc(cs1)C=O TS55442 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 Cc1ncc(o1)C=O TS02441 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.1 Cn1cc(cn1)C=O TS00477 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.1 Cn1cc(nc1)C=O TS31819 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.1 Cn1cc(nc1)CO TS04287 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.1 c1c(coc1C=O)Br TS39327 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 c1c(csc1Br)C=O TS90833 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.1 c1c(csc1C=O)Br TS70971 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.1 c1c(csc1C=O)Cl TS88146 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.1 c1c(csc1Cl)C=O TS87564 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.1 c1c(sc(n1)C=O)Br TS88563 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 c1c(sc(n1)C=O)Cl TS88531 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.7 B(c1cc[nH]c1)(O)O TS22892 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.7 B(c1cc[nH]n1)(O)O TS00452 [1,0,0,0,0,0|1,0,1]=3 109 B8R1.7 C1C(=NC=N1)C(=O)O TS04278 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.7 C1C=CC(N1)C(=O)O TS39629 [1,0,0,0,0,0|1,0,2]=4 111 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.7 C1COC=C1C(=O)O TS32035 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [1,0,0,0,0,0|1,0,2]=4 121 B8R1.7 CC(=O)c1ccns1 TS05261 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.7 CC(=O)c1nccs1 TS08261 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.7 CC(=O)n1cccn1 TS04194 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.7 c1[nH]nc(n1)C(=O)N TS04279 [1,0,0,0,0,0|2,0,0]=3 127 B8R1.7 c1[nH]nc(n1)C(=O)O TS46767 [1,0,0,0,0,0|1,0,0]=2 128 B8R1.7 c1[nH]nc(n1)[N+](=O)[O-] TS02855 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.7 c1c(con1)C(=O)O TS56204 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.7 c1c(n[nH]n1)[N+](=O)[O-] TS04414 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.7 c1c(ncs1)C(=O)N TS01722 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.7 c1c(nn[nH]1)C(=O)O TS32000 [1,0,0,0,0,0|1,0,1]=3 137 B8R1.7 c1c(nns1)C(=O)N TS05450 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.7 c1c(nns1)C(=O)O TS59879 [1,0,0,0,0,0|1,0,1]=3 139 B8R1.7 c1c(non1)C(=O)O TS59880 [1,0,0,0,0,0|2,0,0]=3 140 B8R1.7 c1c(nsn1)C(=O)O TS46770 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.7 c1c[nH]cc1[N+](=O)[O-] TS04276 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [1,0,0,0,0,0|1,0,0]=2 144 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,0,0,0,0,0|0,0,0]=1 145 B8R1.7 c1c[nH]nc1[N+](=O)[O-] TS55490 [1,0,0,0,0,0|1,0,1]=3 146 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,0,0|2,0,1]=4 147 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,0,0|1,0,1]=3 148 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,0,0|2,0,0]=3 151 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,0,0|2,0,0]=3 154 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,0,0|2,0,1]=4 155 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,0,0|2,0,1]=4 156 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.7 c1cnoc1C(=O)Cl TS56205 [1,0,0,0,0,0|2,0,1]=4 159 B8R1.7 c1cnoc1C(=O)N TS04271 [1,0,0,0,0,0|2,0,1]=4 160 B8R1.7 c1cnsc1C(=O)O TS05447 [1,0,0,0,0,0|1,0,1]=3 161 B8R1.7 c1coc(n1)C(=O)N TS04277 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.7 c1conc1C(=O)O TS00353 [1,0,0,0,0,0|1,0,0]=2 167 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.7 c1csnc1C(=O)O TS91622 [1,0,0,0,0,0|1,0,0]=2 172 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.14 COC(=O)c1cc(no1)O TS59694 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.14 COC(=O)c1nc([nH]n1)N TS37541 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.14 COC(=O)c1ncc(s1)N TS92889 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,1,0,0,0,0|1,0,1]=3 183 B10R1.14 Cc1cc([nH]n1)C(=O)NN TS06444 [0,1,0,0,0,0|1,0,2]=4 184 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.14 Cc1cc(no1)C(=O)NN TS37480 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.14 Cc1cc(no1)C(=O)OC TS37467 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.14 Cn1cc(nc1)C(=O)OC TS33076 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.14 Cn1cnc(n1)C(=O)OC TS88313 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.31 CCc1[nH]cc(n1)C(=O)O TS37354 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.31 CCc1cc([nH]n1)C(=O)O TS85081 [0,1,0,0,0,0|0,0,2]=3 196 B10R1.31 CCc1cc(no1)C(=O)O TS65159 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.31 COc1cc(on1)C(=O)O TS39312 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.31 c1c(c[nH]c1C(=O)O)C=O TS06351 [0,1,0,0,0,0|1,0,2]=4 202 B10R1.31 c1c(nc(s1)CO)C(=O)O TS32883 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.58 Cc1cc(nn1C)C(=O)Cl TS11088 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.58 Cc1cc(nn1C)C(=O)O TS06436 [0,1,0,0,0,0|0,0,0]=1 207 B10R1.58 Cc1cc(oc1C)C(=O)C TS06264 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.58 Cn1c(cc(n1)C(=O)O)N TS87775 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.58 c1c(c(oc1C(=O)O)Br)Br TS73940 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.58 c1c(c(sc1C(=O)O)Br)Br TS54880 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.58 c1c(c(sc1C(=O)O)Br)N TS23388 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.58 c1c(c(sc1C(=O)O)Cl)Cl TS18406 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.59 Cc1[nH]c(c(n1)C(=O)N)N TS06449 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.59 Cc1c(nc(o1)C)C(=O)O TS06568 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.59 Cc1c(sc(n1)C)C(=O)O TS00649 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.59 Cc1cc(c(o1)C)C(=O)C TS06252 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.59 Cc1cc(c(o1)C)C(=O)Cl TS11083 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.59 Cc1cc(c(s1)C)C(=O)C TS10466 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.59 Cc1cc(c(s1)N)C(=O)N TS10700 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.59 Cc1cc(n(n1)C)C(=O)C TS37182 [0,1,0,0,0,0|1,0,2]=4 229 B10R1.59 Cc1cc(n(n1)C)C(=O)Cl TS11087 [0,1,0,0,0,0|1,0,2]=4 230 B10R1.59 Cc1cc(n(n1)C)C(=O)N TS06381 [0,1,0,0,0,0|1,0,2]=4 231 B10R1.59 Cc1cc(n(n1)C)C(=O)O TS00371 [0,1,0,0,0,0|0,0,2]=3 232 B10R1.59 Cn1c(cc(n1)Cl)C(=O)O TS91778 [0,1,0,0,0,0|1,0,2]=4 233 B10R1.59 c1c(c(sc1Br)Br)C(=O)O TS54881 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O TS00669 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.194 Cc1c(c[nH]c1Br)C(=O)C TS38192 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.194 Cc1c(nnn1C)C(=O)O TS37485 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.194 Cc1c(onc1C(=O)O)C TS06567 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.194 Cc1csc(c1Cl)C(=O)Cl TS51955 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.194 Cn1c(c(cn1)C(=O)O)Cl TS11333 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.194 Cn1c(c(cn1)C(=O)O)N TS37483 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.194 c1(c(nsc1Cl)C(=O)O)Cl TS18540 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.194 c1(c(snc1Cl)C(=O)O)Cl TS18541 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.194 c1c(c(c([nH]1)C(=O)O)F)F TS89314 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.194 c1c(c(c(s1)Cl)Cl)C(=O)O TS18405 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.9 CNC(=O)C=CC(=O)O TS05434 [0,0,1,0,0,0|2,0,0]=3 248 B8R0.23 C(=O)(C(=O)O)NC(=O)N TS05697 [0,0,1,0,0,0|3,0,0]=4 249 B8R0.23 CC(=CC(=O)O)C(=O)O TS36451 [0,0,1,0,0,0|3,0,0]=4 250 B8R0.23 CC(=CC(=O)O)C(=O)O TS36455 [0,0,1,0,0,0|3,0,0]=4 251 B8R0.23 CC(=O)NC(=C)C(=O)O TS05433 [0,0,1,0,0,0|3,0,0]=4 252 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,0,1,0,0,0|2,0,1]=4 253 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,0,1,0,0,0|3,0,0]=4 254 B8R0.28 CC(=O)NCCC(=O)O TS05634 [0,0,1,0,0,0|2,0,1]=4 255 B8R1.23 C1C(NC1=O)C(=O)O TS04513 [0,0,0,0,1,0|1,0,2]=4 256 B8R1.23 C1[C@@H](NC1=O)C(=O)O TS89740 [0,0,0,0,1,0|1,0,2]=4 257 B8R1.23 C1[C@H](NC1=O)C(=O)O TS32146 [0,0,0,0,1,0|1,0,2]=4 258 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,0,0,0,0,1|2,0,1]=4 261 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,0,0,0,0,1|2,0,0]=3 269 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,0,0,0,0,1|2,0,1]=4 270 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,0,0,0,0,1|2,0,1]=4 271 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,0,0,0,0,1|1,0,1]=3 272 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,0,0,0,0,1|2,0,0]=3 273 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,0,0,0,0,1|1,0,0]=2 274 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,0,0,0,0,1|1,0,0]=2 276 B10R1.13 Cc1cnc(nc1)C(=N)N TS92364 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,0,0,0,0,1|1,0,0]=2 278 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,0,0,0,0,1|1,0,1]=3 279 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [0,0,0,0,0,1|2,0,0]=3 282 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [0,0,0,0,0,1|2,0,0]=3 284 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [0,0,0,0,0,1|2,0,1]=4 285 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [0,0,0,0,0,1|2,0,1]=4 286 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [0,0,0,0,0,1|2,0,1]=4 287 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] TS11486 [0,0,0,0,0,1|2,0,1]=4 288 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,0,0,0,0,1|2,0,0]=3 290 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,0,0,0,0,1|2,0,0]=3 291 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,0,0,0,0,1|1,0,0]=2 292 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,0,0,0,0,1|2,0,0]=3 304 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,0,0,0,0,1|2,0,1]=4 305 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,0,0,0,0,1|2,0,1]=4 306 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,0,0,0,0,1|2,0,1]=4 307 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,0,0,0,0,1|2,0,1]=4 308 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,0,0,0,0,1|2,0,1]=4 309 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,0,0,0,0,1|2,0,1]=4 310 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,0,0,0,0,1|2,0,1]=4 311 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,0,0,0,0,1|2,0,0]=3 312 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,0,0,0,0,1|2,0,0]=3 313 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,0,0,0,0,1|2,0,0]=3 315 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,0,0,0,0,1|2,0,0]=3 316 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,0,0,0,0,1|2,0,0]=3 317 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,0,0,0,0,1|2,0,1]=4 318 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,0,0,0,0,1|1,0,1]=3 319 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,0,0,0,0,1|1,0,1]=3 320 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,0,0,0,0,1|1,0,1]=3 321 B10R1.54 Cc1nc([nH]n1)CC(=O)O TS37476 [0,0,0,0,0,1|1,0,2]=4 322 B10R1.54 Cc1nc(cs1)CC(=O)O TS41777 [0,0,0,0,0,1|3,0,0]=4 323 B10R1.54 c1c([nH]nc1N)CC(=O)O TS86306 [0,0,0,0,0,1|1,0,2]=4 324 B10R1.54 c1c(nc([nH]1)N)CC(=O)O TS37474 [0,0,0,0,0,1|3,0,0]=4 325 B10R1.54 c1c(sc(n1)CC(=O)O)Cl TS86877 [0,0,0,0,0,1|3,0,0]=4 326 B10R1.113 B(c1cc(ccn1)C)(O)O TS03182 [0,0,0,0,0,1|2,0,1]=4 327 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,0,0,0,0,1|3,0,0]=4 328 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,0,0,0,0,1|3,0,0]=4 329 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O TS06680 [0,0,0,0,0,1|2,0,1]=4 330 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,0,0,0,0,1|2,0,1]=4 331 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,0,0,0,0,1|1,0,1]=3 332 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,0,0,0,0,1|2,0,0]=3 333 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,0,0,0,0,1|1,0,0]=2 334 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,0,0,0,0,1|1,0,0]=2 335 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [0,0,0,0,0,1|2,0,1]=4 336 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,0,0,0,0,1|0,0,1]=2 337 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,0,0,0,0,1|3,0,0]=4 338 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,0,0,0,0,1|3,0,0]=4 340 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,0,0,0,0,1|2,0,0]=3 341 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,0,0,0,0,1|2,0,0]=3 342 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,0,0,0,0,1|1,0,0]=2 343 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] TS71230 [0,0,0,0,0,1|2,0,1]=4 344 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,0,0,0,0,1|2,0,0]=3 345 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,0,0,0,0,1|2,0,1]=4 346 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [0,0,0,0,0,1|1,0,0]=2 347 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,0,0,0,0,1|3,0,0]=4 348 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,0,0,0,0,1|3,0,0]=4 349 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,0,0,0,0,1|2,0,0]=3 350 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,0,0,0,0,1|2,0,0]=3 351 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,0,0,0,0,1|2,0,0]=3 352 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,0,0,0,0,1|3,0,0]=4 353 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,0,0,0,0,1|2,0,0]=3 354 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,0,0,0,0,1|2,0,0]=3 355 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,0,0,0,0,1|2,0,0]=3 356 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [0,0,0,0,0,1|1,0,1]=3 357 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [0,0,0,0,0,1|1,0,1]=3 359 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,0,0,0,0,1|3,0,0]=4 360 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,0,0,0,0,1|3,0,0]=4 361 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,0,0,0,0,1|3,0,0]=4 362 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,0,0,0,0,1|3,0,0]=4 363 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,0,0,0,0,1|3,0,0]=4 364 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,0,0,0,0,1|3,0,0]=4 365 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,0,0,0,0,1|3,0,0]=4 366 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,0,0,0,0,1|3,0,0]=4 367 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,0,0,0,0,1|3,0,0]=4 368 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,0,0,0,0,1|2,0,0]=3 369 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,0,0,0,0,1|2,0,1]=4 370 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,0,0,0,0,1|2,0,1]=4 371 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,0,0,0,0,1|2,0,1]=4 372 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,0,0,0,0,1|2,0,1]=4 373 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,0,0,0,0,1|2,0,1]=4 374 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,0,0,0,0,1|2,0,1]=4 375 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,0,0,0,0,1|3,0,0]=4 376 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,0,0,0,0,1|3,0,0]=4 377 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,0,0,0,0,1|2,0,0]=3 378 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,0,0,0,0,1|2,0,0]=3 379 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,0,0,0,0,1|2,0,0]=3 380 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,0,0,0,0,1|2,0,0]=3 381 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,0,0,0,0,1|2,0,0]=3 382 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,0,0,0,0,1|3,0,0]=4 383 B7R0.4 CC=CC=CC(=O)O TS31914 [1,0,1,0,0,0|2,0,0]=4 384 B7R0.5 CCC=C(C)C(=O)O TS04448 [1,0,1,0,0,0|1,0,1]=4 385 B7R0.6 C(=CC(=O)N)C(=O)N TS32051 [1,0,1,0,0,0|2,0,0]=4 386 B7R0.6 C(=CC(=O)N)C(=O)N TS32053 [1,0,1,0,0,0|2,0,0]=4 387 B7R0.6 C(=CC(=O)O)C(=O)N TS32144 [1,0,1,0,0,0|1,0,0]=3 388 B7R0.6 C(=CC(=O)O)C(=O)O TS32176 [1,0,1,0,0,0|2,0,0]=4 389 B7R0.6 C(=CC(=O)[O-])C(=O)O TS37153 [1,0,1,0,0,0|2,0,0]=4 390 B7R0.6 CC(=CCC(=O)O)C TS04452 [1,0,1,0,0,0|1,0,1]=4 391 B7R0.6 CC(=O)C=CC(=O)O TS32041 [1,0,1,0,0,0|1,0,0]=3 392 B7R0.6 CC(C)C=CC(=O)O TS04440 [1,0,1,0,0,0|1,0,1]=4 393 B7R1.1 c1c(cn[nH]1)C=O TS00454 [2,0,0,0,0,0|2,0,0]=4 394 B7R1.1 c1c(nc[nH]1)C=O TS01483 [2,0,0,0,0,0|2,0,0]=4 395 B7R1.1 c1c(nco1)C=O TS71269 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.1 c1c(ncs1)C=O TS01721 [2,0,0,0,0,0|2,0,0]=4 397 B7R1.1 c1c(nn[nH]1)C=O TS00445 [2,0,0,0,0,0|1,0,1]=4 398 B7R1.1 c1c(nns1)C=O TS32058 [2,0,0,0,0,0|1,0,1]=4 399 B7R1.1 c1c[nH]cc1C=O TS00457 [2,0,0,0,0,0|1,0,0]=3 400 B7R1.1 c1c[nH]nc1C#N TS71875 [2,0,0,0,0,0|1,0,1]=4 401 B7R1.1 c1c[nH]nc1C=O TS59363 [2,0,0,0,0,0|0,0,0]=2 402 B7R1.1 c1c[nH]nc1CO TS88889 [2,0,0,0,0,0|0,0,1]=3 403 B7R1.1 c1cc([nH]c1)C=O TS01672 [2,0,0,0,0,0|1,0,1]=4 404 B7R1.1 c1cc(oc1)C=O TS03712 [2,0,0,0,0,0|2,0,0]=4 405 B7R1.1 c1cc(sc1)C=O TS65660 [2,0,0,0,0,0|2,0,0]=4 406 B7R1.1 c1cn[nH]c1C=O TS85315 [2,0,0,0,0,0|0,0,2]=4 407 B7R1.1 c1cnc([nH]1)C=O TS77140 [2,0,0,0,0,0|2,0,0]=4 408 B7R1.1 c1cnoc1C=O TS03746 [2,0,0,0,0,0|1,0,1]=4 409 B7R1.1 c1cnsc1C=O TS04385 [2,0,0,0,0,0|1,0,1]=4 410 B7R1.1 c1coc(n1)C=O TS09404 [2,0,0,0,0,0|2,0,0]=4 411 B7R1.1 c1cocc1C=O TS02781 [2,0,0,0,0,0|2,0,0]=4 412 B7R1.1 c1conc1C=O TS56203 [2,0,0,0,0,0|1,0,0]=3 413 B7R1.1 c1conc1CO TS31471 [2,0,0,0,0,0|1,0,1]=4 414 B7R1.1 c1csc(n1)C=O TS19605 [2,0,0,0,0,0|2,0,0]=4 415 B7R1.1 c1csc(n1)C=O TS65653 [2,0,0,0,0,0|2,0,0]=4 416 B7R1.1 c1cscc1C=O TS70719 [2,0,0,0,0,0|2,0,0]=4 417 B7R1.1 c1nnc(o1)C=O TS03752 [2,0,0,0,0,0|1,0,1]=4 418 B7R1.2 C1C(=O)C=C(N1)O TS31463 [2,0,0,0,0,0|2,0,0]=4 419 B7R1.2 CC1=CC(=O)CC1 TS60019 [2,0,0,0,0,0|2,0,0]=4 420 B7R1.2 CC1=CC(=O)OC1 TS03763 [2,0,0,0,0,0|2,0,0]=4 421 B7R1.2 Cc1cc([nH]c1)C TS00646 [2,0,0,0,0,0|1,0,1]=4 422 B7R1.2 Cc1cc(n[nH]1)C TS65819 [2,0,0,0,0,0|0,0,1]=3 423 B7R1.2 Cc1cc(n[nH]1)Cl TS04650 [2,0,0,0,0,0|1,0,0]=3 424 B7R1.2 Cc1cc(n[nH]1)N TS55479 [2,0,0,0,0,0|1,0,0]=3 425 B7R1.2 Cc1cc(no1)Br TS65934 [2,0,0,0,0,0|2,0,0]=4 426 B7R1.2 Cc1cc(no1)N TS48907 [2,0,0,0,0,0|2,0,0]=4 427 B7R1.2 Cc1cc(no1)N TS60000 [2,0,0,0,0,0|2,0,0]=4 428 B7R1.2 Cc1cc(no1)O TS31468 [2,0,0,0,0,0|1,0,0]=3 429 B7R1.2 Cc1cc(on1)C TS08855 [2,0,0,0,0,0|1,0,1]=4 430 B7R1.2 c1c(n[nH]c1O)N TS31472 [2,0,0,0,0,0|2,0,0]=4 431 B9R0.48 CCNC(=O)C=CC(=O)O TS40065 [0,1,1,0,0,0|2,0,0]=4 432 B9R1.21 CCc1[nH]cc(n1)C=O TS05022 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.22 Cc1cc(c(s1)C)C=O TS37390 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.22 Cc1cc(n(n1)C)C=O TS02105 [1,1,0,0,0,0|0,0,2]=4 435 B9R1.23 Cc1cc(nn1C)CCl TS86632 [1,1,0,0,0,0|1,0,1]=4 436 B9R1.23 Cc1cc(nn1C)CN TS90299 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.23 Cc1cc(nn1C)CO TS05173 [1,1,0,0,0,0|0,0,1]=3 438 B9R1.23 Cc1cc(nn1C)NC TS05098 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.23 Cc1cc(oc1C)C=O TS32597 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.23 Cc1cc(sc1Br)C=O TS89210 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.132 Cc1c(ncn1C)C=O TS08686 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.132 Cc1c[nH]c(c1C)C=O TS88398 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.11 COC(=O)c1c[nH]nc1 TS36104 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [1,1,0,0,0,0|0,0,0]=2 447 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.11 COC(=O)c1ccco1 TS56258 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.11 COC(=O)c1cccs1 TS37577 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.11 COC(=O)c1cccs1 TS37579 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.11 COC(=O)c1ccns1 TS56200 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.11 COC(=O)c1ccoc1 TS00187 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.11 COC(=O)c1ccsc1 TS37576 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.11 COC(=O)c1cscn1 TS01560 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.11 COC(=O)c1nc[nH]n1 TS01546 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.11 c1[nH]nc(n1)C(=O)NN TS05254 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.41 Cc1c(c[nH]n1)C(=O)O TS05143 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.41 Cc1ccoc1C(=O)O TS70657 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.41 Cc1ccsc1C(=O)O TS70685 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.41 Cc1cnoc1C(=O)O TS03172 [1,1,0,0,0,0|1,0,1]=4 465 B9R1.41 Cc1conc1C(=O)O TS05238 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [1,1,0,0,0,0|0,0,2]=4 467 B9R1.41 Cn1cccc1C(=O)O TS46984 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.41 Cn1ccnc1C(=O)O TS00468 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.41 c1(c(nsn1)N)C(=O)O TS60043 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.41 c1c(c(n[nH]1)C(=O)O)Br TS17204 [1,1,0,0,0,0|0,0,0]=2 472 B9R1.41 c1c(c(n[nH]1)C(=S)N)Br TS20093 [1,1,0,0,0,0|1,1,0]=4 473 B9R1.41 c1c(c(n[nH]1)N)C(=O)O TS46439 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.41 c1c(c(n[nH]1)[N+](=O)[O-])Br TS85546 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.41 c1csc(c1C(=O)O)F TS07162 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.41 c1csc(c1C(=O)O)N TS55051 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.41 c1csc(c1F)C(=O)O TS70577 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.41 c1csc(c1I)C(=O)O TS28552 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.41 c1csc(c1N)C(=O)O TS14481 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.41 c1csc(c1N)C(=O)O TS40071 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.41 c1csc(c1O)C(=O)O TS40161 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.41 c1nc(c(s1)Br)C(=O)O TS71468 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.164 CC1(CC(=C1)C(=O)O)C TS87565 [0,1,0,0,1,0|1,0,1]=4 490 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [0,1,0,0,0,1|1,0,0]=3 493 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,1,0,0,0,1|1,0,1]=4 496 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [0,1,0,0,0,1|1,0,1]=4 498 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.3 CSc1ncc(cn1)C(=O)O TS87353 [0,1,0,0,0,1|1,0,1]=4 500 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,1,0,0,0,1|1,0,1]=4 505 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.21 Cc1cnc(cn1=O)C(=O)O TS55719 [0,1,0,0,0,1|1,0,0]=3 513 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O TS86196 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O TS89514 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O TS92409 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,1,0,0,0,1|1,0,1]=4 523 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,1,0,0,0,1|1,0,1]=4 524 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,1,0,0,0,1|1,0,1]=4 525 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.22 COC(=O)c1ncc(cn1)Br TS89654 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.22 COC(=O)c1ncc(cn1)N TS85632 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.22 COC(=O)c1ncc(cn1)N TS92309 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,1,0,0,0,1|1,0,1]=4 535 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,1,0,0,0,1|1,0,0]=3 536 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,1,0,0,0,1|1,0,1]=4 538 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,1,0,0,0,1|1,0,1]=4 539 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,1,0,0,0,1|1,0,1]=4 540 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,1,0,0,0,1|1,0,1]=4 541 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,1,0,0,0,1|1,0,1]=4 542 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,1,0,0,0,1|1,0,1]=4 546 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,1,0,0,0,1|1,0,1]=4 554 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,1,0,0,0,1|1,0,1]=4 555 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,1,0,0,0,1|1,0,1]=4 556 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,1,0,0,0,1|1,0,1]=4 557 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O TS59708 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl TS90418 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.314 c1c(o[nH]c1=O)C(C(=O)O)N TS13778 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [0,1,0,0,0,1|1,0,1]=4 579 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,1,0,0,0,1|1,0,0]=3 581 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [0,1,0,0,0,1|0,0,1]=3 582 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [0,1,0,0,0,1|1,0,1]=4 589 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [0,1,0,0,0,1|1,0,1]=4 590 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [0,1,0,0,0,1|1,0,1]=4 591 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O TS34403 [0,1,0,0,0,1|1,0,1]=4 593 B11R1.155 Cc1cc(cnc1)S(=O)(=O)O TS01163 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.155 Cc1ccnc(c1)S(=O)(=O)O TS45615 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.159 c1[nH]c(=O)c(c(n1)C(=O)O)Cl TS45855 [0,1,0,0,0,1|1,0,0]=3 603 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O TS22160 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.159 c1c(c(c(cn1)Cl)Cl)C(=O)O TS51385 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O TS13257 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.159 c1cnc(c(c1N)Cl)C(=O)O TS13260 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [0,1,0,0,0,1|1,0,1]=4 608 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [0,1,0,0,0,1|1,0,0]=3 609 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS38580 [0,1,0,0,0,1|1,0,1]=4 618 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS59599 [0,1,0,0,0,1|1,0,1]=4 619 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br TS59583 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.167 c1c(cnc(c1C(=O)O)Br)Cl TS55120 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br TS16986 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl TS00663 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F TS55246 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N TS13259 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.167 c1c(cnc(c1C(=O)O)F)Br TS71423 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl TS09844 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.167 c1c(cnc(c1C(=O)O)F)F TS42019 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS47432 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS86237 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.167 c1c(cnc(c1C(=O)O)O)Br TS09780 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl TS71493 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.167 c1c(cnc(c1C(=O)O)O)F TS10827 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.266 CCc1ccnc(c1)C(=O)O TS15879 [0,1,0,0,0,1|1,0,0]=3 635 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.266 CNc1cncc(n1)C(=O)O TS01188 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [0,1,0,0,0,1|1,0,1]=4 638 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [0,1,0,0,0,1|1,0,0]=3 640 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [0,1,0,0,0,1|1,0,0]=3 643 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.266 c1c(cncc1C(=O)O)C#N TS32655 [0,1,0,0,0,1|1,0,1]=4 646 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.266 c1cnc(cc1CO)C(=O)N TS41119 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.15 CCOC(=O)c1cc([nH]n1)N TS55952 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.15 CCOC(=O)c1cc(c[nH]1)C TS32819 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.15 CCOC(=O)c1cc(cs1)C TS94883 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.15 CCOC(=O)c1cc(n[nH]1)C TS41374 [0,2,0,0,0,0|0,0,2]=4 656 B11R1.15 CCOC(=O)c1cc(on1)C TS08518 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.15 CCOC(=O)c1cn(cn1)C TS90436 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.15 CCOC(=O)c1nc([nH]n1)Br TS08514 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.15 CCOC(=O)c1nc([nH]n1)I TS03346 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.15 CCOC(=O)c1nc([nH]n1)N TS55956 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.15 CCOC(=O)c1nnc(o1)C TS41591 [0,2,0,0,0,0|1,0,1]=4 662 B11R1.44 CCc1cc([nH]n1)C(=O)OC TS70558 [0,2,0,0,0,0|0,0,2]=4 663 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC TS41269 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.226 Cn1c(cc(n1)C(=O)OC)O TS32995 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.865 COC(=O)c1c(c(sn1)Cl)Cl TS21251 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.865 Cc1csc(c1Cl)C(=O)OC TS51205 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.865 Cc1csc(c1N)C(=O)OC TS08572 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.48 CCc1cc(nn1C)C(=O)O TS41362 [0,2,0,0,0,0|0,0,0]=2 669 B11R1.48 CCn1c(cc(n1)C(=O)O)C TS41364 [0,2,0,0,0,0|0,0,0]=2 670 B11R1.50 CCc1cc(n(n1)C)C(=O)O TS10425 [0,2,0,0,0,0|0,0,2]=4 671 B11R1.124 CCCc1cc([nH]n1)C(=O)O TS10427 [0,2,0,0,0,0|0,0,2]=4 672 B11R1.124 CCCc1cc(no1)C(=O)O TS10560 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.175 CC(=O)c1cc([nH]c1)C(=O)O TS41240 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.175 CC(C)c1cc([nH]n1)C(=O)O TS65092 [0,2,0,0,0,0|0,0,2]=4 675 B11R1.175 CC(C)c1cc(no1)C(=O)O TS41503 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.175 CC(C)n1cc(nc1)C(=O)O TS41363 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.175 c1c([nH]nc1C(=O)O)C(=O)O TS13442 [0,2,0,0,0,0|0,0,1]=3 678 B11R1.175 c1c([nH]nc1C(=O)O)C(=O)O TS41581 [0,2,0,0,0,0|0,0,1]=3 679 B11R1.175 c1c(n[nH]c1[N+](=O)[O-])C(=O)O TS55495 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.175 c1c(n[nH]c1[N+](=O)[O-])C(=O)O TS91475 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.672 Cc1c(c(nn1C)C(=O)N)N TS10440 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.672 Cc1c(c(nn1C)C(=O)O)Br TS22525 [0,2,0,0,0,0|0,0,0]=2 683 B11R1.672 Cc1cc(c(n1C)C)C(=O)O TS39216 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.49 CCn1c(cc(n1)C)C(=O)O TS41377 [0,2,0,0,0,0|0,0,2]=4 685 B11R1.673 Cc1c(c(n(n1)C)C(=O)O)Br TS22527 [0,2,0,0,0,0|0,0,2]=4 686 B11R1.673 Cc1c(c(n(n1)C)C(=O)O)Cl TS45865 [0,2,0,0,0,0|0,0,2]=4 687 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [0,0,1,1,0,0|0,0,2]=4 688 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,0,1,1,0,0|1,0,1]=4 689 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [0,0,1,1,0,0|2,0,0]=4 690 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,0,0,0,0,1|1,0,1]=4 691 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,0,0,0,0,1|1,0,0]=3 692 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,0,0,0,0,1|1,0,1]=4 693 B9R1.2 Cc1cc(ncn1)CO TS85804 [1,0,0,0,0,1|0,0,2]=4 694 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,0,0,0,0,1|1,0,0]=3 695 B9R1.2 Cc1ccnc(n1)C=O TS90032 [1,0,0,0,0,1|2,0,0]=4 696 B9R1.2 c1c(cncc1Br)C=O TS16988 [1,0,0,0,0,1|2,0,0]=4 697 B9R1.2 c1c(cncc1Cl)C=O TS37528 [1,0,0,0,0,1|2,0,0]=4 698 B9R1.2 c1c(cncc1F)C=O TS03322 [1,0,0,0,0,1|2,0,0]=4 699 B9R1.2 c1c(cncc1I)C=O TS25323 [1,0,0,0,0,1|2,0,0]=4 700 B9R1.2 c1cnc(cc1Br)C=O TS71011 [1,0,0,0,0,1|2,0,0]=4 701 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [1,0,0,0,0,1|2,0,0]=4 702 B9R1.13 c1c(nc[nH]1)CC(=O)O TS42528 [1,0,0,0,0,1|2,0,0]=4 703 B9R1.13 c1c[nH]cc1CC(=O)O TS05070 [1,0,0,0,0,1|1,0,0]=3 704 B9R1.13 c1cc([nH]c1)CC(=O)O TS94888 [1,0,0,0,0,1|1,0,1]=4 705 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [1,0,0,0,0,1|2,0,0]=4 706 B9R1.13 c1cc(sc1)CC(=O)O TS65656 [1,0,0,0,0,1|2,0,0]=4 707 B9R1.13 c1cn(nn1)CC(=O)O TS05241 [1,0,0,0,0,1|1,0,1]=4 708 B9R1.13 c1csc(n1)CC(=O)O TS88799 [1,0,0,0,0,1|2,0,0]=4 709 B9R1.13 c1cscc1CC(=O)O TS00281 [1,0,0,0,0,1|2,0,0]=4 710 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,0,0,0,0,2|2,0,0]=4 711 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,0,0,0,0,2|2,0,0]=4 712 B11R1.20 c1c(cnc(n1)CC(=O)O)Br TS87052 [0,0,0,0,0,2|2,0,0]=4 713 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [0,0,0,0,0,2|2,0,0]=4 714 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [0,0,0,0,0,2|2,0,0]=4 715 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,0,0,0,0,2|2,0,0]=4 716 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [0,0,0,0,0,2|2,0,0]=4 717 B11R1.157 c1c(cncc1F)CC(=O)O TS88577 [0,0,0,0,0,2|2,0,0]=4