0 B9R1.35 B(c1ccc(o1)C)(O)O TS01154 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 B(c1ccc(s1)C)(O)O TS01146 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.35 CC(=O)C1CCC(=O)O1 TS36267 [0,0,0,0,0,0|1,0,3]=4 3 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,0,0,0,0,0|1,1,0]=2 11 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CC(=O)c1csc(n1)N TS37585 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC(=O)c1ncc(s1)Br TS87763 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.35 Cc1[nH]c(cn1)[N+](=O)[O-] TS55457 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 Cc1[nH]cc(n1)C(=S)N TS37506 [0,0,0,0,0,0|3,1,0]=4 19 B9R1.35 Cc1[nH]cc(n1)[N+](=O)[O-] TS94753 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 Cc1cc(no1)C(=O)Cl TS07136 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,0,0,0,0,0|0,0,0]=0 33 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,0,0,0,0,0|0,1,0]=1 36 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,0,0,0,0,0|1,1,0]=2 37 B9R1.35 Cc1ccn(n1)C(=O)N TS70674 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,0,0,0,0,0|2,1,0]=3 39 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.35 Cc1csc(n1)C(C)C TS06617 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 Cc1nc(cs1)C(=N)N TS14117 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.35 Cc1nc(cs1)C(=O)N TS02166 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 Cc1nc(cs1)C(C)N TS37630 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,0,0,0,0,0|2,1,0]=3 47 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,0,0,0,0,0|2,1,0]=3 48 B9R1.35 Cc1nnc(o1)C(=O)O TS29444 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.35 Cn1cc(nc1)C(=O)N TS77120 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.35 Cn1ccc(n1)C(=O)Cl TS40272 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 Cn1ccc(n1)[N+](=O)[O-] TS05245 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.35 c1c(csc1C(=O)O)F TS09710 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.35 c1c(csc1C(=O)O)N TS14480 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 c1c(csc1F)C(=O)O TS87661 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.35 c1c(nc(s1)N)C(=O)N TS40075 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,0,0,0,0,0|3,1,0]=4 75 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [0,0,0,0,0,0|3,1,0]=4 76 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [0,0,0,0,0,0|3,1,0]=4 77 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [0,0,0,0,0,0|3,1,0]=4 78 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [0,0,0,0,0,0|3,1,0]=4 79 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,0,0,0,0,0|3,1,0]=4 80 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.35 c1cc(oc1[N+](=O)[O-])Br TS17400 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [0,0,0,0,0,0|2,1,0]=3 87 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [0,0,0,0,0,0|2,1,0]=3 88 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,0,0,0,0,0|2,1,0]=3 89 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,0,0,0,0,0|2,1,0]=3 90 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,0,0,0,0,0|2,1,0]=3 91 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,0,0,0,0,0|2,1,0]=3 92 B9R1.35 c1cc(sc1[N+](=O)[O-])Br TS07708 [0,0,0,0,0,0|3,1,0]=4 93 B8R1.1 CCC1=CCC(=C1)C TS04143 [1,0,0,0,0,0|1,0,2]=4 94 B8R1.1 CCc1[nH]cc(n1)C TS04212 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.1 CCc1[nH]cc(n1)C TS45131 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.1 CCc1ccc(s1)C TS36173 [1,0,0,0,0,0|0,1,1]=3 97 B8R1.1 CCc1nc(cs1)C TS36248 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.1 Cc1cc(no1)C=O TS08758 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 Cc1cc(sc1)C=O TS36137 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.1 Cc1ccc(o1)C=O TS29447 [1,0,0,0,0,0|0,0,0]=1 103 B8R1.1 Cc1ccc(o1)CBr TS13614 [1,0,0,0,0,0|1,0,1]=3 104 B8R1.1 Cc1ccc(o1)CN TS31873 [1,0,0,0,0,0|1,0,1]=3 105 B8R1.1 Cc1ccc(o1)CO TS39784 [1,0,0,0,0,0|0,0,2]=3 106 B8R1.1 Cc1ccc(s1)C#N TS86062 [1,0,0,0,0,0|1,1,1]=4 107 B8R1.1 Cc1ccc(s1)C=O TS01147 [1,0,0,0,0,0|0,1,0]=2 108 B8R1.1 Cc1ccc(s1)CN TS36252 [1,0,0,0,0,0|1,1,1]=4 109 B8R1.1 Cc1coc(n1)C=O TS90033 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.1 Cc1csc(n1)C=O TS86523 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.1 Cc1nc(cs1)C=O TS55442 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.1 Cc1ncc(o1)C=O TS02441 [1,0,0,0,0,0|1,0,0]=2 113 B8R1.1 Cc1ncc(s1)OC TS05467 [1,0,0,0,0,0|2,1,0]=4 114 B8R1.1 Cn1cc(cn1)C=O TS00477 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.1 Cn1cc(nc1)C=O TS31819 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.1 Cn1ccc(n1)C=O TS00048 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.1 c1c(coc1C=O)Br TS39327 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.1 c1c(csc1Br)C=O TS90833 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.1 c1c(csc1C=O)Br TS70971 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.1 c1c(csc1C=O)Cl TS88146 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.1 c1c(csc1Cl)C=O TS87564 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.1 c1c(nc(s1)Br)C=O TS55176 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.1 c1c(nc(s1)C=O)Br TS51392 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.1 c1c(sc(n1)Br)C=O TS08343 [1,0,0,0,0,0|2,1,0]=4 126 B8R1.1 c1c(sc(n1)C=O)Br TS88563 [1,0,0,0,0,0|2,1,0]=4 127 B8R1.1 c1c(sc(n1)C=O)Cl TS88531 [1,0,0,0,0,0|2,1,0]=4 128 B8R1.1 c1c(sc(n1)Cl)C=O TS07944 [1,0,0,0,0,0|2,1,0]=4 129 B8R1.1 c1c(sc(n1)N)C=O TS00789 [1,0,0,0,0,0|2,1,0]=4 130 B8R1.1 c1cc(oc1C=O)Br TS71428 [1,0,0,0,0,0|1,0,0]=2 131 B8R1.1 c1cc(oc1C=O)I TS50041 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.1 c1cc(sc1C=O)Br TS71469 [1,0,0,0,0,0|1,1,0]=3 133 B8R1.1 c1cc(sc1C=O)Cl TS60086 [1,0,0,0,0,0|1,1,0]=3 134 B8R1.1 c1cc(sc1C=O)Cl TS77528 [1,0,0,0,0,0|1,1,0]=3 135 B8R1.7 B(c1ccco1)(O)O TS94317 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [1,0,0,0,0,0|1,0,2]=4 137 B8R1.7 CC(=C)c1nccs1 TS05103 [1,0,0,0,0,0|2,1,0]=4 138 B8R1.7 CC(=O)C1=CCCC1 TS31835 [1,0,0,0,0,0|1,0,2]=4 139 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,0,0,0,0,0|1,0,1]=3 140 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,0,0|1,0,0]=2 144 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,0,0|0,0,0]=1 145 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,0,0|0,1,0]=2 146 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.7 CC(=O)c1ccns1 TS05261 [1,0,0,0,0,0|1,1,0]=3 148 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.7 CC(=O)c1cncs1 TS46736 [1,0,0,0,0,0|1,1,0]=3 150 B8R1.7 CC(=O)c1cnns1 TS05327 [1,0,0,0,0,0|2,1,0]=4 151 B8R1.7 CC(=O)c1nccs1 TS08261 [1,0,0,0,0,0|1,1,0]=3 152 B8R1.7 CC(=O)n1cccn1 TS04194 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.7 CC(=O)n1ccnc1 TS93594 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,0,0,0,0,0|2,0,1]=4 155 B8R1.7 CC(c1ccco1)N TS04253 [1,0,0,0,0,0|1,0,1]=3 156 B8R1.7 CC(c1ccco1)O TS31898 [1,0,0,0,0,0|0,0,2]=3 157 B8R1.7 CN(C)c1cccs1 TS36249 [1,0,0,0,0,0|2,1,0]=4 158 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,0,0,0,0,0|0,1,2]=4 159 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,0,0,0,0,0|0,0,2]=3 160 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,0,0,0,0,0|0,1,2]=4 161 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.7 c1c(ncs1)C(=O)N TS01722 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.7 c1c(ocn1)C(=O)N TS04275 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,0,0,0,0,0|2,0,0]=3 167 B8R1.7 c1c(ocn1)C(=S)N TS05325 [1,0,0,0,0,0|2,1,0]=4 168 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.7 c1cc([nH]c1)C(=N)N TS31801 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.7 c1cc(oc1)C(=N)N TS31821 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,0,0|1,0,0]=2 175 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,0,0|1,0,0]=2 176 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,0,0|1,0,0]=2 177 B8R1.7 c1cc(oc1)C(=S)N TS05264 [1,0,0,0,0,0|1,1,0]=3 178 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.7 c1cc(sc1)C(=N)N TS08265 [1,0,0,0,0,0|2,1,0]=4 180 B8R1.7 c1cc(sc1)C(=N)N TS36145 [1,0,0,0,0,0|2,1,0]=4 181 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,0,0|1,1,0]=3 182 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,0,0|1,1,0]=3 183 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,0,0|1,1,0]=3 184 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,0,0|1,1,0]=3 185 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,0,0|1,1,0]=3 186 B8R1.7 c1cc(sc1)[N+](=O)[O-] TS09400 [1,0,0,0,0,0|2,1,0]=4 187 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,0,0,0,0,0|2,0,1]=4 188 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.7 c1cnoc1C(=O)Cl TS56205 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.7 c1cnoc1C(=O)N TS04271 [1,0,0,0,0,0|2,0,0]=3 191 B8R1.7 c1cnoc1C(=S)N TS05329 [1,0,0,0,0,0|2,1,0]=4 192 B8R1.7 c1cnsc1C(=O)O TS05447 [1,0,0,0,0,0|2,1,0]=4 193 B8R1.7 c1coc(n1)C(=O)N TS04277 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.7 c1coc(n1)C(=S)N TS05328 [1,0,0,0,0,0|2,1,0]=4 196 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.7 c1conc1C(=O)O TS00353 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,0,0,0,0,0|2,1,0]=4 201 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,0,0,0,0,0|2,1,0]=4 202 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.7 c1csnc1C(=O)O TS91622 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,1,0,0,0,0|0,0,0]=1 206 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,1,0,0,0,0|1,1,0]=3 215 B10R1.14 COC(=O)c1cnc(s1)Br TS93874 [0,1,0,0,0,0|2,1,0]=4 216 B10R1.14 COC(=O)c1cnc(s1)N TS08549 [0,1,0,0,0,0|2,1,0]=4 217 B10R1.14 COC(=O)c1csc(n1)Br TS23389 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.14 COC(=O)c1csc(n1)Br TS85380 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.14 COC(=O)c1csc(n1)Cl TS56249 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.14 COC(=O)c1csc(n1)N TS08548 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.14 COC(=O)c1ncc(s1)N TS92889 [0,1,0,0,0,0|2,1,0]=4 222 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.14 Cc1cc(no1)C(=O)OC TS37467 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,1,0,0,0,0|0,0,0]=1 227 B10R1.14 Cc1ccc(s1)C(=N)NO TS10701 [0,1,0,0,0,0|1,1,1]=4 228 B10R1.14 Cc1ccc(s1)C(=O)NN TS10710 [0,1,0,0,0,0|1,1,0]=3 229 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.14 Cc1nc(cs1)C(=O)NN TS10856 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.14 Cn1cc(nc1)C(=O)OC TS33076 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.14 Cn1cnc(n1)C(=O)OC TS88313 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.14 c1cc(oc1C(=O)NN)Br TS19887 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.14 c1cc(sc1C(=O)CBr)Br TS00842 [0,1,0,0,0,0|1,1,0]=3 237 B10R1.14 c1cc(sc1C(=O)CBr)Cl TS59946 [0,1,0,0,0,0|1,1,0]=3 238 B10R1.14 c1cc(sc1C(=O)CCl)Br TS26406 [0,1,0,0,0,0|1,1,0]=3 239 B10R1.14 c1cc(sc1C(=O)NN)Br TS49903 [0,1,0,0,0,0|2,1,0]=4 240 B10R1.14 c1cc(sc1C(=O)NN)Cl TS46192 [0,1,0,0,0,0|2,1,0]=4 241 B10R1.31 CC(=O)c1ccc(s1)C#N TS10062 [0,1,0,0,0,0|0,1,1]=3 242 B10R1.31 CC(=O)c1ccc(s1)C=O TS41389 [0,1,0,0,0,0|0,1,1]=3 243 B10R1.31 CCc1[nH]cc(n1)C(=O)O TS37354 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [0,1,0,0,0,0|0,1,0]=2 246 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,1,0,0,0,0|1,1,0]=3 247 B10R1.31 CN(C)c1ccc(o1)C=O TS06369 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,1,0,0,0,0|1,1,0]=3 249 B10R1.31 c1c(nc(s1)CO)C(=O)O TS32883 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.31 c1cc(oc1C#N)[N+](=O)[O-] TS06214 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [0,1,0,0,0,0|1,0,1]=3 253 B10R1.31 c1cc(oc1C=O)[N+](=O)[O-] TS55492 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.31 c1cc(oc1C=O)[N+](=O)[O-] TS57835 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.31 c1cc(oc1CO)[N+](=O)[O-] TS40048 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [0,1,0,0,0,0|1,1,1]=4 259 B10R1.31 c1cc(sc1CN)[N+](=O)[O-] TS10962 [0,1,0,0,0,0|2,1,0]=4 260 B10R1.55 CS(=O)(=O)c1ccc(s1)Br TS86132 [0,1,0,0,0,0|2,1,0]=4 261 B10R1.55 Cc1cc[n+](o1)C(C)(C)C TS26422 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.55 Cc1ccc(o1)C(F)(F)F TS59972 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.55 Cc1ccc(s1)S(=O)(=O)N TS46322 [0,1,0,0,0,0|2,1,0]=4 264 B10R1.55 Cc1ccc(s1)[Si](C)(C)C TS45215 [0,1,0,0,0,0|1,2,0]=4 265 B10R1.55 [B-](c1ccc(o1)C)(F)(F)F TS94639 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.58 CC(=O)c1cc(c(s1)Cl)Cl TS51957 [0,1,0,0,0,0|1,1,0]=3 267 B10R1.58 Cc1cc(nn1C)C(=O)Cl TS11088 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.58 Cc1cc(nn1C)C(=O)O TS06436 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.58 Cc1cc(oc1C)C(=O)C TS06264 [0,1,0,0,0,0|0,0,0]=1 270 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,1,0,0,0,0|1,1,0]=3 272 B10R1.58 Cn1c(cc(n1)C(=O)O)N TS87775 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.58 c1c(c(oc1C(=O)O)Br)Br TS73940 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.58 c1c(c(sc1C(=O)O)Br)Br TS54880 [0,1,0,0,0,0|2,1,0]=4 275 B10R1.58 c1c(c(sc1C(=O)O)Br)N TS23388 [0,1,0,0,0,0|2,1,0]=4 276 B10R1.58 c1c(c(sc1C(=O)O)Cl)Cl TS18406 [0,1,0,0,0,0|2,1,0]=4 277 B10R1.59 CC(=O)c1cc(sc1Cl)Cl TS51956 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.59 CC1=CC(=O)N(C1)C(=O)C TS06361 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.59 Cc1[nH]c(c(n1)C(=O)N)N TS06449 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.59 Cc1c(nc(o1)C)C(=O)C TS08136 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.59 Cc1c(nc(o1)C)C(=O)Cl TS11181 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.59 Cc1c(nc(o1)C)C(=O)O TS06568 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.59 Cc1c(sc(n1)C)C(=O)C TS10596 [0,1,0,0,0,0|1,1,0]=3 286 B10R1.59 Cc1c(sc(n1)C)C(=O)N TS10709 [0,1,0,0,0,0|2,1,0]=4 287 B10R1.59 Cc1c(sc(n1)C)C(=O)O TS00649 [0,1,0,0,0,0|2,1,0]=4 288 B10R1.59 Cc1c(sc(n1)N)C(=O)C TS47409 [0,1,0,0,0,0|2,1,0]=4 289 B10R1.59 Cc1cc([nH]c1C(=O)C)C TS37113 [0,1,0,0,0,0|1,0,0]=2 290 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.59 Cc1cc(c(o1)C)C(=O)C TS06252 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.59 Cc1cc(c(o1)C)C(=O)Cl TS11083 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.59 Cc1cc(c(s1)C)C(=O)C TS10466 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.59 Cc1cc(c(s1)N)C(=O)N TS10700 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.59 Cc1cc(n(n1)C(=O)N)C TS37284 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.59 Cc1cc(n(n1)C)C(=O)C TS37182 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.59 Cn1cc(c(n1)C(=O)Cl)Br TS50364 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.59 Cn1cc(c(n1)C(=O)O)Br TS38735 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.59 Cn1cc(c(n1)C(=O)O)Cl TS11332 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.194 Cc1c(c[nH]c1Br)C(=O)C TS38192 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.194 Cc1ccc(n1C)C(=N)N TS06197 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.194 Cc1csc(c1Cl)C(=O)Cl TS51955 [0,1,0,0,0,0|3,0,0]=4 308 B8R0.9 CC(=C)COC(=O)C=C TS36122 [0,0,1,0,0,0|2,0,1]=4 309 B8R0.23 CC(=O)NC(=C)C(=O)O TS05433 [0,0,1,0,0,0|3,0,0]=4 310 B8R0.23 CC(C(=O)C)OC(=O)C TS05530 [0,0,1,0,0,0|1,0,2]=4 311 B8R0.28 C(C=CC(=O)O)C(=O)O TS36453 [0,0,1,0,0,0|2,0,1]=4 312 B8R0.28 CC(=C)CC=CC(=C)C TS32532 [0,0,1,0,0,0|2,0,1]=4 313 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,0,1,0,0,0|1,0,0]=2 314 B8R0.28 CC(=CCCC(=O)C)C TS36151 [0,0,1,0,0,0|1,0,2]=4 315 B8R0.28 CC(=CCOC(=O)C)C TS05349 [0,0,1,0,0,0|2,0,1]=4 316 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,0,1,0,0,0|1,0,1]=3 317 B8R0.28 CC(C)CC=CC(=O)C TS05196 [0,0,1,0,0,0|1,0,2]=4 318 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,0,0,0,0,1|2,0,0]=3 321 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,0,0,0,0,1|2,0,0]=3 322 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,0,0,0,0,1|2,0,0]=3 323 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,0,0,0,0,1|2,0,0]=3 324 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,0,0,0,0,1|2,0,0]=3 325 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,0,0,0,0,1|2,0,0]=3 326 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,0,0,0,0,1|2,0,0]=3 327 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,0,0,0,0,1|2,0,0]=3 328 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,0,0,0,0,1|2,0,0]=3 329 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,0,0,0,0,1|2,0,0]=3 330 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,0,0,0,0,1|3,0,0]=4 331 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,0,0,0,0,1|3,0,0]=4 332 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [0,0,0,0,0,1|3,0,0]=4 333 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [0,0,0,0,0,1|3,0,0]=4 334 B10R1.13 CC1=CCC(=C(C)C)CC1 TS37048 [0,0,0,0,0,1|2,0,1]=4 335 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,0,0,0,0,1|3,0,0]=4 336 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,0,0,0,0,1|3,0,0]=4 337 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,0,0,0,0,1|3,0,0]=4 338 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,0,0,0,0,1|3,0,0]=4 341 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,0,0,0,0,1|1,0,0]=2 342 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,0,0,0,0,1|2,0,0]=3 343 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,0,0,0,0,1|2,0,0]=3 344 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,0,0,0,0,1|2,0,0]=3 345 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,0,0,0,0,1|2,1,0]=4 346 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,0,0,0,0,1|2,0,1]=4 347 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,0,0,0,0,1|2,0,1]=4 348 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,0,0,0,0,1|2,0,1]=4 349 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,0,0,0,0,1|1,0,2]=4 350 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,0,0,0,0,1|3,0,0]=4 351 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,0,0,0,0,1|2,0,0]=3 352 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,0,0,0,0,1|2,0,0]=3 353 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,0,0,0,0,1|3,0,0]=4 354 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,0,0,0,0,1|3,0,0]=4 355 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,0,0,0,0,1|3,0,0]=4 356 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,0,0,0,0,1|3,0,0]=4 357 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,0,0,0,0,1|3,0,0]=4 359 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,0,0,0,0,1|2,0,1]=4 360 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,0,0,0,0,1|2,0,1]=4 361 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,0,0,0,0,1|2,0,1]=4 362 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,0,0,0,0,1|3,0,0]=4 363 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,0,0,0,0,1|1,0,0]=2 364 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,0,0,0,0,1|2,0,0]=3 365 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,0,0,0,0,1|2,0,0]=3 366 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,0,0,0,0,1|2,1,0]=4 367 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,0,0,0,0,1|3,0,0]=4 368 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,0,0,0,0,1|1,0,0]=2 369 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,0,0,0,0,1|2,0,0]=3 370 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [0,0,0,0,0,1|2,0,1]=4 371 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,0,0,0,0,1|3,0,0]=4 372 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,0,0,0,0,1|3,0,0]=4 373 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,0,0,0,0,1|3,0,0]=4 374 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,0,0,0,0,1|3,0,0]=4 375 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,0,0,0,0,1|3,0,0]=4 376 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,0,0,0,0,1|2,0,0]=3 377 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,0,0,0,0,1|3,0,0]=4 378 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,0,0,0,0,1|3,0,0]=4 379 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,0,0,0,0,1|3,0,0]=4 380 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,0,0,0,0,1|3,0,0]=4 381 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,0,0,0,0,1|3,0,0]=4 382 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,0,0,0,0,1|3,0,0]=4 383 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,0,0,0,0,1|3,0,0]=4 385 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,0,0,0,0,1|3,0,0]=4 386 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,0,0,0,0,1|3,0,0]=4 387 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,0,0,0,0,1|3,0,0]=4 388 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,0,0,0,0,1|3,0,0]=4 390 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,0,0,0,0,1|3,0,0]=4 391 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,0,0,0,0,1|3,0,0]=4 393 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,0,0,0,0,1|3,0,0]=4 395 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,0,0,0,0,1|3,0,0]=4 396 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,0,0,0,0,1|3,0,0]=4 397 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,0,0,0,0,1|3,0,0]=4 398 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,0,0,0,0,1|3,0,0]=4 399 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,0,0,0,0,1|3,0,0]=4 400 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,0,0,0,0,1|3,0,0]=4 401 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,0,0,0,0,1|3,0,0]=4 402 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,0,0,0,0,1|3,0,0]=4 403 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,0,0,0,0,1|3,0,0]=4 404 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,0,0,0,0,1|3,0,0]=4 407 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,0,0,0,0,1|3,0,0]=4 408 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,0,0,0,0,1|3,0,0]=4 409 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,0,0,0,0,1|3,0,0]=4 410 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,0,0,0,0,1|3,0,0]=4 411 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,0,0,0,0,1|3,0,0]=4 412 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,0,0,0,0,1|3,0,0]=4 413 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,0,0,0,0,1|3,0,0]=4 414 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,0,0,0,0,1|3,0,0]=4 415 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,0,0,0,0,1|3,0,0]=4 416 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,0,0,0,0,1|3,0,0]=4 417 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,0,0,0,0,1|3,0,0]=4 418 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,0,0,0,0,1|3,0,0]=4 419 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,0,0,0,0,1|3,0,0]=4 420 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,0,0,0,0,1|3,0,0]=4 421 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,0,0,0,0,1|3,0,0]=4 422 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,0,0,0,0,1|3,0,0]=4 423 B10R1.54 CC(=O)Nc1ccc(s1)Br TS22694 [0,0,0,0,0,1|1,1,0]=3 424 B10R1.54 CC(=O)Nc1ccc(s1)Cl TS13763 [0,0,0,0,0,1|1,1,0]=3 425 B10R1.54 CC(=O)Nc1ncc(s1)Br TS47340 [0,0,0,0,0,1|2,1,0]=4 426 B10R1.54 CC(=O)Nc1ncc(s1)Cl TS46191 [0,0,0,0,0,1|2,1,0]=4 427 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,0,0,0,0,1|2,0,0]=3 428 B10R1.54 Cc1ccn(n1)CC(=O)O TS37360 [0,0,0,0,0,1|3,0,0]=4 429 B10R1.54 Cc1csc(n1)NC(=O)C TS10706 [0,0,0,0,0,1|2,0,0]=3 430 B10R1.54 Cc1nc(cs1)CC(=O)N TS10707 [0,0,0,0,0,1|3,0,0]=4 431 B10R1.54 Cc1nc(cs1)CC(=O)O TS41777 [0,0,0,0,0,1|3,0,0]=4 432 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,0,0,0,0,1|2,0,0]=3 433 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,0,0,0,0,1|2,0,0]=3 434 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [0,0,0,0,0,1|3,0,0]=4 435 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,0,0,0,0,1|2,0,0]=3 436 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,0,0,0,0,1|2,0,0]=3 437 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,0,0,0,0,1|2,0,0]=3 438 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,0,0,0,0,1|2,0,0]=3 439 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,0,0,0,0,1|2,0,0]=3 440 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,0,0,0,0,1|2,0,0]=3 441 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,0,0,0,0,1|2,0,0]=3 442 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,0,0,0,0,1|2,0,0]=3 443 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,0,0,0,0,1|2,0,0]=3 444 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [0,0,0,0,0,1|2,0,0]=3 445 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [0,0,0,0,0,1|3,0,0]=4 446 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,0,0,0,0,1|3,0,0]=4 447 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,0,0,0,0,1|1,0,0]=2 448 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,0,0,0,0,1|2,0,0]=3 449 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] TS55417 [0,0,0,0,0,1|3,0,0]=4 450 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,0,0,0,0,1|2,0,0]=3 451 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,0,0,0,0,1|2,0,0]=3 452 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,0,0,0,0,1|2,0,0]=3 453 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [0,0,0,0,0,1|3,0,0]=4 454 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,0,0,0,0,1|3,0,0]=4 455 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,0,0,0,0,1|3,0,0]=4 456 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,0,0,0,0,1|1,0,0]=2 457 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,0,0,0,0,1|2,0,0]=3 458 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,0,0,0,0,1|2,0,0]=3 459 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,0,0,0,0,1|2,0,0]=3 460 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,0,0,0,0,1|2,1,0]=4 461 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,0,0,0,0,1|1,0,2]=4 462 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [0,0,0,0,0,1|3,0,0]=4 463 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [0,0,0,0,0,1|3,0,0]=4 464 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,0,0,0,0,1|2,0,1]=4 465 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,0,0,0,0,1|2,0,1]=4 466 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,0,0,0,0,1|3,0,0]=4 467 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,0,0,0,0,1|1,0,0]=2 468 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [0,0,0,0,0,1|2,0,1]=4 469 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] TS55467 [0,0,0,0,0,1|3,0,0]=4 470 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,0,0,0,0,1|1,0,0]=2 471 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,0,0,0,0,1|2,0,0]=3 472 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [0,0,0,0,0,1|2,0,1]=4 473 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] TS71230 [0,0,0,0,0,1|3,0,0]=4 474 B10R1.113 Cc1ccnc(n1)C(=N)N TS86869 [0,0,0,0,0,1|3,0,0]=4 475 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,0,0,0,0,1|2,0,0]=3 476 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,0,0,0,0,1|2,0,0]=3 477 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,0,0,0,0,1|3,0,0]=4 478 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,0,0,0,0,1|3,0,0]=4 479 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,0,0,0,0,1|3,0,0]=4 480 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,0,0,0,0,1|3,0,0]=4 481 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,0,0,0,0,1|3,0,0]=4 482 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,0,0,0,0,1|3,0,0]=4 483 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,0,0,0,0,1|3,0,0]=4 484 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,0,0,0,0,1|3,0,0]=4 485 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,0,0,0,0,1|3,0,0]=4 486 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,0,0,0,0,1|3,0,0]=4 487 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,0,0,0,0,1|3,0,0]=4 488 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,0,0,0,0,1|3,0,0]=4 489 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,0,0,0,0,1|3,0,0]=4 490 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,0,0,0,0,1|3,0,0]=4 491 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,0,0,0,0,1|3,0,0]=4 492 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,0,0,0,0,1|3,0,0]=4 493 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,0,0,0,0,1|3,0,0]=4 494 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,0,0,0,0,1|3,0,0]=4 495 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,0,0,0,0,1|3,0,0]=4 496 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,0,0,0,0,1|3,0,0]=4 497 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,0,0,0,0,1|3,0,0]=4 498 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,0,0,0,0,1|3,0,0]=4 499 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,0,0,0,0,1|3,0,0]=4 500 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,0,0,0,0,1|3,0,0]=4 501 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,0,0,0,0,1|3,0,0]=4 502 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,0,0,0,0,1|3,0,0]=4 503 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,0,0,0,0,1|3,0,0]=4 504 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,0,0,0,0,1|3,0,0]=4 505 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,0,0,0,0,1|3,0,0]=4 506 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,0,0,0,0,1|3,0,0]=4 507 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,0,0,0,0,1|3,0,0]=4 508 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,0,0,0,0,1|3,0,0]=4 509 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,0,0,0,0,1|3,0,0]=4 510 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,0,0,0,0,1|3,0,0]=4 511 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,0,0,0,0,1|3,0,0]=4 512 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,0,0,0,0,1|3,0,0]=4 513 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,0,0,0,0,1|3,0,0]=4 514 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,0,0,0,0,1|3,0,0]=4 515 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,0,0,0,0,1|3,0,0]=4 516 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,0,0,0,0,1|2,0,0]=3 517 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [0,0,0,0,0,1|3,0,0]=4 518 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,0,0,0,0,1|3,0,0]=4 519 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,0,0,0,0,1|3,0,0]=4 520 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,0,0,0,0,1|3,0,0]=4 521 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,0,0,0,0,1|3,0,0]=4 522 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,0,0,0,0,1|3,0,0]=4 523 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,0,0,0,0,1|3,0,0]=4 524 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,0,0,0,0,1|3,0,0]=4 525 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,0,0,0,0,1|3,0,0]=4 526 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,0,0,0,0,1|3,0,0]=4 527 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,0,0,0,0,1|3,0,0]=4 528 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,0,0,0,0,1|3,0,0]=4 529 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,0,0,0,0,1|3,0,0]=4 530 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,0,0,0,0,1|3,0,0]=4 531 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,0,0,0,0,1|3,0,0]=4 532 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,0,0,0,0,1|3,0,0]=4 533 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,0,0,0,0,1|3,0,0]=4 534 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,0,0,0,0,1|3,0,0]=4 535 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,0,0,0,0,1|3,0,0]=4 536 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,0,0,0,0,1|3,0,0]=4 537 B10R1.113 c1cnc(nc1C(=O)N)Cl TS88415 [0,0,0,0,0,1|3,0,0]=4 538 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,0,0,0,0,1|3,0,0]=4 539 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,0,0,0,0,1|3,0,0]=4 540 B7R0.3 CC=CCC(C)C=C TS31844 [1,0,1,0,0,0|1,0,1]=4 541 B7R0.4 CC(=O)OC=CC=C TS31913 [1,0,1,0,0,0|1,0,1]=4 542 B7R0.4 CC=CC=CC(=O)C TS31841 [1,0,1,0,0,0|0,0,0]=2 543 B7R0.4 CC=CC=CC(=O)O TS31914 [1,0,1,0,0,0|1,0,0]=3 544 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [1,0,1,0,0,0|1,0,0]=3 545 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [1,0,1,0,0,0|1,0,0]=3 546 B7R0.4 CCCC=CC(=O)C TS31936 [1,0,1,0,0,0|0,0,2]=4 547 B7R0.5 CC(=C)C(=O)OC=C TS31917 [1,0,1,0,0,0|2,0,0]=4 548 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,0,1,0,0,0|1,0,1]=4 549 B7R0.6 CC(=C)CCC(=O)C TS04310 [1,0,1,0,0,0|1,0,1]=4 550 B7R0.6 CC(=C)COC(=O)C TS04432 [1,0,1,0,0,0|2,0,0]=4 551 B7R0.6 CC(=O)COC(=O)C TS32186 [1,0,1,0,0,0|1,0,1]=4 552 B7R0.6 CC(=O)OOC(=O)C TS04696 [1,0,1,0,0,0|2,0,0]=4 553 B7R1.1 CCc1ccc[nH]1 TS03700 [2,0,0,0,0,0|1,0,1]=4 554 B7R1.1 CCc1ccco1 TS31365 [2,0,0,0,0,0|0,0,1]=3 555 B7R1.1 CCc1cccs1 TS04335 [2,0,0,0,0,0|0,1,1]=4 556 B7R1.1 CNc1cnco1 TS01626 [2,0,0,0,0,0|2,0,0]=4 557 B7R1.1 CNc1ncco1 TS05943 [2,0,0,0,0,0|2,0,0]=4 558 B7R1.1 COc1ccco1 TS03757 [2,0,0,0,0,0|1,0,0]=3 559 B7R1.1 COc1cccs1 TS39279 [2,0,0,0,0,0|1,1,0]=4 560 B7R1.1 CSc1cccs1 TS05614 [2,0,0,0,0,0|1,1,0]=4 561 B7R1.1 c1c(nc[nH]1)C=O TS01483 [2,0,0,0,0,0|2,0,0]=4 562 B7R1.1 c1c(nco1)C=O TS71269 [2,0,0,0,0,0|2,0,0]=4 563 B7R1.1 c1c(ncs1)C=O TS01721 [2,0,0,0,0,0|2,0,0]=4 564 B7R1.1 c1c(ocn1)C=O TS01172 [2,0,0,0,0,0|1,0,0]=3 565 B7R1.1 c1c(scn1)C=O TS55509 [2,0,0,0,0,0|1,1,0]=4 566 B7R1.1 c1c[nH]cc1C=O TS00457 [2,0,0,0,0,0|2,0,0]=4 567 B7R1.1 c1c[nH]nc1C=O TS59363 [2,0,0,0,0,0|2,0,0]=4 568 B7R1.1 c1cc([nH]c1)C=O TS01672 [2,0,0,0,0,0|1,0,0]=3 569 B7R1.1 c1cc(oc1)C#N TS71874 [2,0,0,0,0,0|1,0,1]=4 570 B7R1.1 c1cc(oc1)C=O TS03712 [2,0,0,0,0,0|0,0,0]=2 571 B7R1.1 c1cc(oc1)CN TS03749 [2,0,0,0,0,0|1,0,1]=4 572 B7R1.1 c1cc(oc1)CO TS03766 [2,0,0,0,0,0|0,0,2]=4 573 B7R1.1 c1cc(oc1)CS TS32087 [2,0,0,0,0,0|0,1,1]=4 574 B7R1.1 c1cc(sc1)C=O TS65660 [2,0,0,0,0,0|0,1,0]=3 575 B7R1.1 c1cc[c-](c1)C=O TS21602 [2,0,0,0,0,0|1,0,1]=4 576 B7R1.1 c1cn[nH]c1C=O TS85315 [2,0,0,0,0,0|2,0,0]=4 577 B7R1.1 c1cnc([nH]1)C=O TS77140 [2,0,0,0,0,0|2,0,0]=4 578 B7R1.1 c1cnoc1C=O TS03746 [2,0,0,0,0,0|1,0,0]=3 579 B7R1.1 c1cnsc1C=O TS04385 [2,0,0,0,0,0|1,1,0]=4 580 B7R1.1 c1coc(n1)C=O TS09404 [2,0,0,0,0,0|1,0,0]=3 581 B7R1.1 c1cocc1C=O TS02781 [2,0,0,0,0,0|2,0,0]=4 582 B7R1.1 c1conc1C=O TS56203 [2,0,0,0,0,0|2,0,0]=4 583 B7R1.1 c1csc(n1)C=O TS19605 [2,0,0,0,0,0|1,1,0]=4 584 B7R1.1 c1csc(n1)C=O TS65653 [2,0,0,0,0,0|1,1,0]=4 585 B7R1.1 c1cscc1C=O TS70719 [2,0,0,0,0,0|2,0,0]=4 586 B7R1.1 c1nnc(o1)C=O TS03752 [2,0,0,0,0,0|2,0,0]=4 587 B7R1.2 C1=CC(=O)NC1=O TS56220 [2,0,0,0,0,0|2,0,0]=4 588 B7R1.2 C1=CC(=O)OC1=O TS03751 [2,0,0,0,0,0|1,0,0]=3 589 B7R1.2 CC1=CCC(=O)O1 TS03764 [2,0,0,0,0,0|0,0,1]=3 590 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [2,0,0,0,0,0|2,0,0]=4 591 B7R1.2 Cc1c[nH]c(n1)C TS00643 [2,0,0,0,0,0|2,0,0]=4 592 B7R1.2 Cc1cc([nH]c1)C TS00646 [2,0,0,0,0,0|2,0,0]=4 593 B7R1.2 Cc1cc(sc1)C TS04334 [2,0,0,0,0,0|2,0,0]=4 594 B7R1.2 Cc1ccc([nH]1)C TS59928 [2,0,0,0,0,0|1,0,0]=3 595 B7R1.2 Cc1ccc(o1)C TS31370 [2,0,0,0,0,0|0,0,0]=2 596 B7R1.2 Cc1ccc(s1)Br TS55129 [2,0,0,0,0,0|1,1,0]=4 597 B7R1.2 Cc1ccc(s1)C TS04332 [2,0,0,0,0,0|0,1,0]=3 598 B7R1.2 Cc1ccc(s1)Cl TS00916 [2,0,0,0,0,0|1,1,0]=4 599 B7R1.2 Cc1ccc(s1)I TS23773 [2,0,0,0,0,0|1,1,0]=4 600 B7R1.2 Cc1ccn(n1)C TS39993 [2,0,0,0,0,0|2,0,0]=4 601 B7R1.2 Cc1cnc(s1)C TS32026 [2,0,0,0,0,0|1,1,0]=4 602 B7R1.2 Cc1coc(n1)C TS31396 [2,0,0,0,0,0|2,0,0]=4 603 B7R1.2 Cc1csc(n1)C TS00648 [2,0,0,0,0,0|2,0,0]=4 604 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [2,0,0,0,0,0|2,0,0]=4 605 B7R1.2 c1cc(oc1Br)Br TS52248 [2,0,0,0,0,0|2,0,0]=4 606 B9R0.53 CC(=CC(=O)C=C(C)C)C TS59935 [0,1,1,0,0,0|2,0,0]=4 607 B9R1.7 Cc1ccc(o1)C=NO TS05082 [1,1,0,0,0,0|0,0,1]=3 608 B9R1.21 CCc1[nH]cc(n1)C=O TS05022 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.21 CCc1ccc(o1)C=O TS32598 [1,1,0,0,0,0|0,0,0]=2 610 B9R1.21 CCc1ccc(s1)C=O TS06487 [1,1,0,0,0,0|0,1,0]=3 611 B9R1.21 CCc1ccc(s1)CC TS37431 [1,1,0,0,0,0|0,1,1]=4 612 B9R1.21 CCc1csc(n1)C=O TS71101 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.21 CSc1ccc(s1)C=O TS11041 [1,1,0,0,0,0|0,1,0]=3 615 B9R1.21 c1c(nc(s1)CO)C=O TS71142 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.21 c1cc(oc1C=O)C=O TS47261 [1,1,0,0,0,0|0,0,1]=3 617 B9R1.21 c1cc(oc1CCl)C=O TS40262 [1,1,0,0,0,0|0,0,0]=2 618 B9R1.21 c1cc(oc1CN)C#N TS11089 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.21 c1cc(oc1CN)C#N TS32494 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.21 c1cc(oc1CO)C=O TS71320 [1,1,0,0,0,0|0,0,0]=2 621 B9R1.21 c1cc(oc1CO)CO TS36272 [1,1,0,0,0,0|0,0,2]=4 622 B9R1.21 c1cc(sc1C=O)C=O TS37379 [1,1,0,0,0,0|0,1,1]=4 623 B9R1.22 Cc1c(nc(o1)C)C=O TS05078 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.22 Cc1c(oc(n1)C)C=O TS05081 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.22 Cc1c(sc(n1)C)C=O TS37504 [1,1,0,0,0,0|1,1,0]=4 626 B9R1.22 Cc1cc([nH]c1C=O)C TS02202 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.22 Cc1cc(c(s1)C)C=O TS37390 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.22 Cc1cc(c(s1)C=O)Br TS38754 [1,1,0,0,0,0|0,1,0]=3 629 B9R1.22 Cn1cc(c(n1)C=O)Br TS16115 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.22 Cn1cc(c(n1)C=O)Cl TS40267 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.23 CCc1nc(c(o1)C)C TS36061 [1,1,0,0,0,0|1,0,1]=4 632 B9R1.23 Cc1c(cc(s1)C=O)Br TS38752 [1,1,0,0,0,0|0,1,0]=3 633 B9R1.23 Cc1cc(oc1C)C=O TS32597 [1,1,0,0,0,0|0,0,0]=2 634 B9R1.23 Cc1cc(sc1Br)C=O TS89210 [1,1,0,0,0,0|1,1,0]=4 635 B9R1.23 c1c(oc(c1Br)Br)C=O TS16347 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.23 c1c(sc(c1Br)Br)C=O TS30734 [1,1,0,0,0,0|1,1,0]=4 637 B9R1.132 Cc1c[nH]c(c1C)C=O TS88398 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.132 Cc1ncc(n1C)C=O TS08680 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.11 CC(=NO)c1ccco1 TS05079 [1,1,0,0,0,0|0,0,1]=3 640 B9R1.11 CC(c1ccco1)NO TS36224 [1,1,0,0,0,0|0,0,2]=4 641 B9R1.11 CCC(=O)c1ccco1 TS07974 [1,1,0,0,0,0|0,0,0]=2 642 B9R1.11 CCC(=O)c1cccs1 TS37392 [1,1,0,0,0,0|0,1,0]=3 643 B9R1.11 CCC(=O)c1nccs1 TS37503 [1,1,0,0,0,0|1,1,0]=4 644 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [1,1,0,0,0,0|1,0,0]=3 648 B9R1.11 COC(=O)c1ccco1 TS56258 [1,1,0,0,0,0|0,0,0]=2 649 B9R1.11 COC(=O)c1cccs1 TS37577 [1,1,0,0,0,0|0,1,0]=3 650 B9R1.11 COC(=O)c1cccs1 TS37579 [1,1,0,0,0,0|0,1,0]=3 651 B9R1.11 COC(=O)c1ccns1 TS56200 [1,1,0,0,0,0|1,1,0]=4 652 B9R1.11 COC(=O)c1ccoc1 TS00187 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.11 COC(=O)c1ccsc1 TS37576 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.11 COC(=O)c1cncs1 TS01561 [1,1,0,0,0,0|1,1,0]=4 655 B9R1.11 COC(=O)c1cscn1 TS01560 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.11 COC(=O)n1cccc1 TS05085 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.11 c1c(ocn1)C(=O)NN TS05248 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.11 c1cc([nH]c1)C(=O)CCl TS40119 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.11 c1cc(oc1)C(=N)NO TS36105 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.11 c1cc(oc1)C(=O)NN TS36103 [1,1,0,0,0,0|1,0,0]=3 661 B9R1.11 c1cc(oc1)C(CN)O TS36223 [1,1,0,0,0,0|0,0,2]=4 662 B9R1.11 c1cc(oc1)[C@@H](CN)O TS36216 [1,1,0,0,0,0|0,0,2]=4 663 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [1,1,0,0,0,0|0,1,0]=3 664 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [1,1,0,0,0,0|0,1,0]=3 665 B9R1.11 c1cc(sc1)C(=O)NN TS37584 [1,1,0,0,0,0|1,1,0]=4 666 B9R1.11 c1coc(n1)C(=O)NN TS05247 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.11 c1csc(n1)C(=O)CBr TS00230 [1,1,0,0,0,0|1,1,0]=4 668 B9R1.11 c1cscc1C(=O)CBr TS09435 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.19 CC(C)(C)c1ccco1 TS36002 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.19 CS(=O)(=O)c1cccs1 TS42490 [1,1,0,0,0,0|1,1,0]=4 671 B9R1.19 CS(=O)(=O)c1cccs1 TS61524 [1,1,0,0,0,0|1,1,0]=4 672 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [1,1,0,0,0,0|0,1,0]=3 673 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [1,1,0,0,0,0|0,1,0]=3 674 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [1,1,0,0,0,0|0,1,0]=3 675 B9R1.41 CC(=O)c1cccn1C TS04953 [1,1,0,0,0,0|1,0,0]=3 676 B9R1.41 CC(=O)c1nccn1C TS86142 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.41 Cc1c(ocn1)C(=O)Cl TS07135 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.41 Cc1c(ocn1)C(=O)N TS05146 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.41 Cc1c(scn1)C(=O)C TS37499 [1,1,0,0,0,0|1,1,0]=4 682 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [1,1,0,0,0,0|1,0,0]=3 684 B9R1.41 Cc1ccoc1C(=O)O TS70657 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.41 Cc1ccsc1C(=O)C TS37389 [1,1,0,0,0,0|0,1,0]=3 686 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [1,1,0,0,0,0|1,1,0]=4 687 B9R1.41 Cc1ccsc1C(=O)N TS37501 [1,1,0,0,0,0|1,1,0]=4 688 B9R1.41 Cc1ccsc1C(=O)O TS70685 [1,1,0,0,0,0|1,1,0]=4 689 B9R1.41 Cc1cnoc1C(=O)O TS03172 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.41 Cn1cccc1C(=O)O TS46984 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.41 c1cc(n(c1)N)C(=O)N TS89649 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.41 c1csc(c1Br)C(=O)Cl TS24054 [1,1,0,0,0,0|1,1,0]=4 694 B9R1.41 c1csc(c1Br)C(=O)N TS20092 [1,1,0,0,0,0|1,1,0]=4 695 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [1,1,0,0,0,0|1,1,0]=4 696 B9R1.41 c1csc(c1Cl)C(=O)Cl TS48025 [1,1,0,0,0,0|1,1,0]=4 697 B9R1.41 c1csc(c1Cl)C(=O)N TS42361 [1,1,0,0,0,0|1,1,0]=4 698 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [1,1,0,0,0,0|1,1,0]=4 699 B9R1.41 c1csc(c1F)C(=O)O TS70577 [1,1,0,0,0,0|1,1,0]=4 700 B9R1.41 c1csc(c1I)C(=O)O TS28552 [1,1,0,0,0,0|1,1,0]=4 701 B9R1.41 c1csc(c1N)C(=O)N TS37588 [1,1,0,0,0,0|1,1,0]=4 702 B9R1.41 c1csc(c1N)C(=O)O TS14481 [1,1,0,0,0,0|1,1,0]=4 703 B9R1.41 c1csc(c1N)C(=O)O TS40071 [1,1,0,0,0,0|1,1,0]=4 704 B9R1.41 c1csc(c1O)C(=O)O TS40161 [1,1,0,0,0,0|1,1,0]=4 705 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,1,0,0,0,1|1,0,1]=4 706 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,1,0,0,0,1|1,0,1]=4 707 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,1,0,0,0,1|1,0,1]=4 708 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,1,0,0,0,1|1,0,1]=4 709 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,1,0,0,0,1|1,0,0]=3 710 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,1,0,0,0,1|1,0,0]=3 711 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,1,0,0,0,1|1,0,0]=3 712 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [0,1,0,0,0,1|1,0,1]=4 713 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,1,0,0,0,1|1,0,0]=3 714 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,1,0,0,0,1|1,0,0]=3 715 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,1,0,0,0,1|1,0,0]=3 751 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,1,0,0,0,1|1,0,0]=3 754 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,1,0,0,0,1|1,0,0]=3 760 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,1,0,0,0,1|1,0,0]=3 766 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,1|1,0,0]=3 769 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,1,0,0,0,1|1,0,0]=3 775 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,1,0,0,0,1|2,0,0]=4 782 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,1,0,0,0,1|1,0,1]=4 797 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,1,0,0,0,1|1,0,1]=4 798 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,1,0,0,0,1|1,0,0]=3 799 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,1,0,0,0,1|1,0,0]=3 800 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,1,0,0,0,1|1,0,0]=3 801 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,1,0,0,0,1|1,0,0]=3 802 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,1|1,0,0]=3 803 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,0,1|1,0,0]=3 804 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,1|1,0,0]=3 807 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,1,0,0,0,1|1,0,1]=4 808 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,1,0,0,0,1|1,0,0]=3 810 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,1,0,0,0,1|2,0,0]=4 839 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,1,0,0,0,1|2,0,0]=4 840 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.166 CC1=CC(=O)C(CC1)C(=O)C TS10178 [0,1,0,0,0,1|1,0,1]=4 844 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,1,0,0,0,1|1,0,0]=3 854 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,1,0,0,0,1|2,0,0]=4 855 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,1,0,0,0,1|1,0,0]=3 856 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,1,0,0,0,1|2,0,0]=4 857 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,1,0,0,0,1|2,0,0]=4 858 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,1,0,0,0,1|2,0,0]=4 859 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,1,0,0,0,1|2,0,0]=4 860 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,1,0,0,0,1|1,0,0]=3 863 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,1,0,0,0,1|2,0,0]=4 869 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.43 CN(C)Cc1ccc(o1)CO TS41527 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.43 CN(C)Cc1ccc(o1)CO TS51376 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.76 Cc1ccc(o1)C[N+](C)(C)C TS34284 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,1,0,0,0,1|1,0,0]=3 875 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.23 CNC(=O)c1cc(ccn1)Cl TS85370 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [0,1,0,0,0,1|2,0,0]=4 886 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [0,1,0,0,0,1|2,0,0]=4 891 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [0,1,0,0,0,1|2,0,0]=4 904 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.23 COC(=O)c1ccnc(n1)Cl TS88958 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.23 COC(=O)c1cncc(n1)Cl TS16593 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.23 COC(=O)c1cncc(n1)N TS01211 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.23 COC(=O)c1nccc(n1)N TS56280 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,1,0,0,0,1|1,0,0]=3 914 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [0,1,0,0,0,1|1,0,1]=4 916 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,1,0,0,0,1|1,0,0]=3 918 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,1,0,0,0,1|2,0,0]=4 926 B11R1.23 c1cnc(cc1C(=O)CBr)Cl TS56563 [0,1,0,0,0,1|2,0,0]=4 927 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br TS02193 [0,1,0,0,0,1|2,0,0]=4 928 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.74 CC(=O)c1cc(cc(c1)F)F TS08667 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.74 Cc1cc(cc(c1)C(=O)C)C TS65809 [0,1,0,0,0,1|1,0,0]=3 933 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C TS65812 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [0,1,0,0,0,1|2,0,0]=4 938 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [0,1,0,0,0,1|2,0,0]=4 939 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [0,1,0,0,0,1|2,0,0]=4 940 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)Cl TS07938 [0,1,0,0,0,1|2,0,0]=4 941 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [0,1,0,0,0,1|2,0,0]=4 942 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [0,1,0,0,0,1|2,0,0]=4 943 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.74 Cc1cc(oc(=O)c1)C(=O)N TS41250 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,1,0,0,0,1|2,0,0]=4 948 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.159 CC(=O)c1ccnc(c1N)Cl TS46708 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,1,0,0,0,1|1,0,0]=3 956 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,1,0,0,0,1|2,0,0]=4 963 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,1,0,0,0,1|2,0,0]=4 964 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,1,0,0,0,1|2,0,0]=4 965 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [0,1,0,0,0,1|2,0,0]=4 966 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,1,0,0,0,1|2,0,0]=4 968 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,1,0,0,0,1|2,0,0]=4 970 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,1,0,0,0,1|2,0,0]=4 972 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,1,0,0,0,1|2,0,0]=4 973 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,1,0,0,0,1|2,0,0]=4 978 B11R1.167 CC(=O)c1cc(cnc1Cl)Br TS89970 [0,1,0,0,0,1|2,0,0]=4 979 B11R1.167 CC(=O)c1cc(cnc1F)Br TS49340 [0,1,0,0,0,1|2,0,0]=4 980 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [0,1,0,0,0,1|2,0,0]=4 982 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,1,0,0,0,1|1,0,0]=3 984 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,1,0,0,0,1|1,0,0]=3 985 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [0,1,0,0,0,1|2,0,0]=4 987 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [0,1,0,0,0,1|2,0,0]=4 988 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [0,1,0,0,0,1|2,0,0]=4 989 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [0,1,0,0,0,1|2,0,0]=4 990 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [0,1,0,0,0,1|2,0,0]=4 991 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [0,1,0,0,0,1|2,0,0]=4 992 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [0,1,0,0,0,1|2,0,0]=4 993 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [0,1,0,0,0,1|2,0,0]=4 994 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br TS55452 [0,1,0,0,0,1|2,0,0]=4 996 B11R1.266 CC(=O)c1cccc(c1)C#C TS40169 [0,1,0,0,0,1|1,0,1]=4 997 B11R1.266 CC(=O)c1cccc(c1)C#N TS65829 [0,1,0,0,0,1|1,0,1]=4 998 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [0,1,0,0,0,1|1,0,0]=3 999 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [0,1,0,0,0,1|1,0,0]=3 1000 B11R1.266 CC(=O)c1cccc(n1)C=O TS40719 [0,1,0,0,0,1|1,0,1]=4 1001 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [0,1,0,0,0,1|1,0,0]=3 1002 B11R1.266 CC(=O)c1ccnc(n1)SC TS44892 [0,1,0,0,0,1|1,0,0]=3 1003 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [0,1,0,0,0,1|1,0,0]=3 1004 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.266 CCc1ccnc(c1)C(=O)O TS15879 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.266 CNc1cncc(n1)C(=O)O TS01188 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [0,1,0,0,0,1|2,0,0]=4 1012 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [0,1,0,0,0,1|2,0,0]=4 1015 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [0,1,0,0,0,1|2,0,0]=4 1017 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [0,1,0,0,0,1|2,0,0]=4 1018 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [0,1,0,0,0,1|2,0,0]=4 1019 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [0,1,0,0,0,1|2,0,0]=4 1020 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.266 CSc1nccc(n1)C(=O)O TS02455 [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl TS09440 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.266 c1cc(cc(c1)C(=O)N)CCl TS02187 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [0,1,0,0,0,1|2,0,0]=4 1029 B11R1.266 c1cc(nc(c1)C(=O)O)CN TS41110 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.266 c1cnc(cc1CO)C(=O)N TS41119 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.15 CCOC(=O)c1cc(c[nH]1)C TS32819 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.15 CCOC(=O)c1cc(cs1)C TS94883 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.15 CCOC(=O)c1ccc([nH]1)C TS02261 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.15 CCOC(=O)c1ccc(s1)Br TS71472 [0,2,0,0,0,0|1,1,0]=4 1035 B11R1.15 CCOC(=O)c1ccc(s1)Cl TS60123 [0,2,0,0,0,0|1,1,0]=4 1036 B11R1.15 CCOC(=O)c1ccn(n1)C TS41371 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.15 CCOC(=O)c1cnc(o1)N TS41587 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.15 CCOC(=O)c1cnc(s1)C TS55922 [0,2,0,0,0,0|1,1,0]=4 1039 B11R1.15 CCOC(=O)c1csc(n1)C TS13011 [0,2,0,0,0,0|2,0,0]=4 1040 B11R1.15 CCOC(=O)c1nc(co1)C TS55941 [0,2,0,0,0,0|2,0,0]=4 1041 B11R1.15 CCOC(=O)c1nc(cs1)C TS45326 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.15 CCOC(=O)c1nnc(o1)C TS41591 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.15 Cc1ccc(o1)C(C)CC=O TS41138 [0,2,0,0,0,0|0,0,1]=3 1044 B11R1.44 COC(=O)c1ccc(o1)CBr TS22522 [0,2,0,0,0,0|0,0,0]=2 1045 B11R1.44 COC(=O)c1ccc(o1)CCl TS45864 [0,2,0,0,0,0|0,0,0]=2 1046 B11R1.44 COC(=O)c1ccc(s1)C=O TS45123 [0,2,0,0,0,0|0,1,1]=4 1047 B11R1.44 COC(=O)c1coc(n1)CBr TS49697 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.44 COC(=O)c1coc(n1)CCl TS56231 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.44 COC(=O)c1coc(n1)CI TS30365 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.44 COC(=O)c1csc(n1)CCl TS51369 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.225 CNC(=O)c1c(cn(n1)C)N TS10438 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.225 COC(=O)c1c(cc(s1)Br)N TS56744 [0,2,0,0,0,0|1,1,0]=4 1053 B11R1.225 Cc1cc(=O)n(o1)C(=O)CCl TS13754 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC TS41269 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.225 Cc1cc(c(s1)C(=O)OC)N TS86914 [0,2,0,0,0,0|0,1,0]=3 1056 B11R1.225 Cc1cc(n(n1)C(=O)CBr)C TS49208 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.226 COC(=O)c1cc(c([nH]1)Br)Br TS34488 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.226 COC(=O)c1cc(c(s1)Br)F TS57189 [0,2,0,0,0,0|1,1,0]=4 1059 B11R1.226 COC(=O)c1cc(c(s1)Cl)N TS02984 [0,2,0,0,0,0|1,1,0]=4 1060 B11R1.226 Cn1c(cc(n1)C(=O)OC)O TS32995 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.226 c1c(c(sc1C(=O)CCl)Cl)Br TS74398 [0,2,0,0,0,0|1,1,0]=4 1062 B11R1.226 c1c(c(sc1C(=O)CCl)Cl)Cl TS24769 [0,2,0,0,0,0|1,1,0]=4 1063 B11R1.865 Cc1csc(c1Cl)C(=O)OC TS51205 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.865 Cc1csc(c1N)C(=O)OC TS08572 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.124 CCOc1ccc(o1)C(=O)O TS10661 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.175 B(c1ccc(s1)C(=O)C)(O)O TS45078 [0,2,0,0,0,0|1,1,0]=4 1067 B11R1.175 B(c1ccc(s1)C(=O)C)(O)O TS85486 [0,2,0,0,0,0|1,1,0]=4 1068 B11R1.175 CC(=O)c1ccc(s1)C(=O)O TS45121 [0,2,0,0,0,0|0,1,1]=4 1069 B11R1.175 CC(=O)c1ccc(s1)[N+](=O)[O-] TS45293 [0,2,0,0,0,0|1,1,0]=4 1070 B11R1.175 c1cc(oc1C(=O)Cl)[N+](=O)[O-] TS13753 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.175 c1cc(oc1C(=O)O)C(=O)O TS00679 [0,2,0,0,0,0|1,0,1]=4 1072 B11R1.175 c1cc(oc1C(=O)O)[N+](=O)[O-] TS10819 [0,2,0,0,0,0|2,0,0]=4 1073 B9R1.5 c1ccc(c(=O)cc1)O TS32491 [0,0,1,1,0,0|0,0,2]=4 1074 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,1,1,0,0|1,0,1]=4 1075 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,1,1,0,0|1,0,1]=4 1076 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,1,1,0,0|1,0,1]=4 1077 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,1,1,0,0|1,0,1]=4 1078 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,0,1,1,0,0|1,0,1]=4 1079 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,0,1,1,0,0|2,0,0]=4 1080 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,0,1,1,0,0|2,0,0]=4 1081 B9R1.69 Cc1cc(ccc1O)Br TS01121 [0,0,1,1,0,0|2,0,0]=4 1082 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [0,0,1,1,0,0|2,0,0]=4 1083 B9R1.69 Cc1cc(ccc1O)F TS09704 [0,0,1,1,0,0|2,0,0]=4 1084 B9R1.69 Cc1cc(ccc1O)I TS53550 [0,0,1,1,0,0|2,0,0]=4 1085 B9R1.69 Cc1cc(ccc1O)N TS08867 [0,0,1,1,0,0|2,0,0]=4 1086 B9R1.69 Cc1cc(ccc1O)O TS32600 [0,0,1,1,0,0|2,0,0]=4 1087 B9R1.69 Cc1cc(ccc1O)S TS70667 [0,0,1,1,0,0|2,0,0]=4 1088 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [0,0,1,1,0,0|1,0,1]=4 1089 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [0,0,1,1,0,0|2,0,0]=4 1090 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [0,0,1,1,0,0|2,0,0]=4 1091 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [0,0,1,1,0,0|2,0,0]=4 1092 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [0,0,1,1,0,0|2,0,0]=4 1093 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [0,0,1,1,0,0|2,0,0]=4 1094 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [0,0,1,1,0,0|2,0,0]=4 1095 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [0,0,1,1,0,0|2,0,0]=4 1096 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [0,0,1,1,0,0|1,0,0]=3 1097 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [0,0,1,1,0,0|1,1,0]=4 1098 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [0,0,1,1,0,0|1,1,0]=4 1099 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [0,0,1,1,0,0|1,0,1]=4 1100 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [0,0,1,1,0,0|1,0,1]=4 1101 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [0,0,1,1,0,0|1,0,1]=4 1102 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [0,0,1,1,0,0|0,0,2]=4 1103 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [0,0,1,1,0,0|2,0,0]=4 1104 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [0,0,1,1,0,0|2,0,0]=4 1105 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [0,0,1,1,0,0|2,0,0]=4 1106 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [0,0,1,1,0,0|1,0,0]=3 1107 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [0,0,1,1,0,0|2,0,0]=4 1108 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [0,0,1,1,0,0|2,0,0]=4 1109 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [0,0,1,1,0,0|2,0,0]=4 1110 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [0,0,1,1,0,0|2,0,0]=4 1111 B9R1.69 Cc1ccc(nc1C)C TS04872 [0,0,1,1,0,0|2,0,0]=4 1112 B9R1.69 Cc1ccc(nc1C)C TS26913 [0,0,1,1,0,0|2,0,0]=4 1113 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS06645 [0,0,1,0,0,1|2,0,0]=4 1114 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS94785 [0,0,1,0,0,1|2,0,0]=4 1115 B9R1.2 CCc1cccc(c1)C TS04835 [1,0,0,0,0,1|1,0,1]=4 1116 B9R1.2 CCc1cccc(n1)C TS32466 [1,0,0,0,0,1|1,0,1]=4 1117 B9R1.2 CCc1ccnc(c1)C TS32469 [1,0,0,0,0,1|1,0,1]=4 1118 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,0,0,0,0,1|1,0,0]=3 1119 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,0,0,0,0,1|1,0,0]=3 1120 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,0,0,0,0,1|2,0,0]=4 1121 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,0,0,0,0,1|1,0,1]=4 1122 B9R1.2 Cc1cccc(c1)NC TS32467 [1,0,0,0,0,1|2,0,0]=4 1123 B9R1.2 Cc1cccc(c1)OC TS32509 [1,0,0,0,0,1|2,0,0]=4 1124 B9R1.2 Cc1cccc(n1)C=C TS04794 [1,0,0,0,0,1|1,0,1]=4 1125 B9R1.2 Cc1cccc(n1)C=O TS85261 [1,0,0,0,0,1|1,0,0]=3 1126 B9R1.2 Cc1cccc(n1)OC TS00087 [1,0,0,0,0,1|2,0,0]=4 1127 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,0,0,0,0,1|1,0,0]=3 1128 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,0,0,0,0,1|2,0,0]=4 1129 B9R1.2 Cc1ccnc(n1)C=O TS90032 [1,0,0,0,0,1|1,0,0]=3 1130 B9R1.2 Cc1ccnc(n1)SC TS85152 [1,0,0,0,0,1|2,0,0]=4 1131 B9R1.2 Cc1nccc(n1)C=O TS02450 [1,0,0,0,0,1|1,0,0]=3 1132 B9R1.2 c1c(cncc1Br)C=O TS16988 [1,0,0,0,0,1|2,0,0]=4 1133 B9R1.2 c1c(cncc1Cl)C=O TS37528 [1,0,0,0,0,1|2,0,0]=4 1134 B9R1.2 c1c(cncc1F)C=O TS03322 [1,0,0,0,0,1|2,0,0]=4 1135 B9R1.2 c1c(cncc1I)C=O TS25323 [1,0,0,0,0,1|2,0,0]=4 1136 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [1,0,0,0,0,1|2,0,0]=4 1137 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,0,0,0,0,1|2,0,0]=4 1138 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,0,0,0,0,1|2,0,0]=4 1139 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,0,0,0,0,1|2,0,0]=4 1140 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,0,0,0,0,1|2,0,0]=4 1141 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,0,0,0,0,1|2,0,0]=4 1142 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,0,0,0,0,1|2,0,0]=4 1143 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,0,0,0,0,1|2,0,0]=4 1144 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [1,0,0,0,0,1|2,0,0]=4 1145 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [1,0,0,0,0,1|2,0,0]=4 1146 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [1,0,0,0,0,1|2,0,0]=4 1147 B9R1.2 c1cnc(cc1Br)C=O TS71011 [1,0,0,0,0,1|2,0,0]=4 1148 B9R1.2 c1cnc(cc1C=O)Br TS00862 [1,0,0,0,0,1|2,0,0]=4 1149 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [1,0,0,0,0,1|2,0,0]=4 1150 B9R1.2 c1cnc(cc1C=O)F TS01027 [1,0,0,0,0,1|2,0,0]=4 1151 B9R1.2 c1cnc(cc1C=O)N TS32497 [1,0,0,0,0,1|2,0,0]=4 1152 B9R1.2 c1cnc(cc1C=O)O TS55404 [1,0,0,0,0,1|2,0,0]=4 1153 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [1,0,0,0,0,1|2,0,0]=4 1154 B9R1.2 c1cnc(nc1C=O)Cl TS87068 [1,0,0,0,0,1|2,0,0]=4 1155 B9R1.13 CC(=O)Cc1ccco1 TS32606 [1,0,0,0,0,1|0,0,0]=2 1156 B9R1.13 CC(=O)Nc1cccs1 TS08939 [1,0,0,0,0,1|0,1,0]=3 1157 B9R1.13 CC(=O)Nc1ccsc1 TS37502 [1,0,0,0,0,1|2,0,0]=4 1158 B9R1.13 CC(=O)Nc1nccs1 TS37583 [1,0,0,0,0,1|1,1,0]=4 1159 B9R1.13 c1cc([nH]c1)CC(=O)O TS94888 [1,0,0,0,0,1|2,0,0]=4 1160 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [1,0,0,0,0,1|1,0,0]=3 1161 B9R1.13 c1cc(sc1)CC(=O)Cl TS65658 [1,0,0,0,0,1|1,1,0]=4 1162 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [1,0,0,0,0,1|1,1,0]=4 1163 B9R1.13 c1cc(sc1)CC(=O)O TS65656 [1,0,0,0,0,1|1,1,0]=4 1164 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,0,0,0,0,2|2,0,0]=4 1165 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,0,0,0,0,2|2,0,0]=4 1166 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,0,0,0,0,2|2,0,0]=4 1167 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,0,0,0,0,2|2,0,0]=4 1168 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,0,0,0,0,2|2,0,0]=4 1169 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,0,0,0,0,2|2,0,0]=4 1170 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,0,0,0,0,2|2,0,0]=4 1171 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,0,0,0,0,2|2,0,0]=4 1172 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,0,0,0,0,2|2,0,0]=4 1173 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,0,0,0,0,2|2,0,0]=4 1174 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,0,0,0,0,2|2,0,0]=4 1175 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,0,0,0,0,2|2,0,0]=4 1176 B11R1.20 CC(=O)Nc1ccc(cn1)Br TS08255 [0,0,0,0,0,2|2,0,0]=4 1177 B11R1.20 CC(=O)Nc1ccc(cn1)F TS07931 [0,0,0,0,0,2|2,0,0]=4 1178 B11R1.20 CC(=O)Nc1ccc(cn1)I TS29744 [0,0,0,0,0,2|2,0,0]=4 1179 B11R1.20 CC(=O)Nc1ccc(cn1)N TS60254 [0,0,0,0,0,2|2,0,0]=4 1180 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,0,0,0,0,2|2,0,0]=4 1181 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,0,0,0,0,2|2,0,0]=4 1182 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,0,0,0,0,2|2,0,0]=4 1183 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,0,0,0,0,2|2,0,0]=4 1184 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,0,0,0,0,2|1,0,0]=3 1185 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,0,0,0,0,2|2,0,0]=4 1186 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,0,0,0,0,2|2,0,0]=4 1187 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,0,0,0,0,2|1,0,0]=3 1188 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,0,0,0,0,2|2,0,0]=4 1189 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,0,0,0,0,2|1,0,0]=3 1190 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,0,0,0,0,2|2,0,0]=4 1191 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,0,0,0,0,2|1,0,0]=3 1192 B11R1.75 Cc1ccc(o1)C=CC(=O)O TS10135 [0,0,0,0,0,2|1,0,0]=3 1193 B11R1.75 Cc1ccc(o1)CCC(=O)C TS41148 [0,0,0,0,0,2|0,0,0]=2 1194 B11R1.75 c1cc(oc1C=CC(=O)O)I TS29989 [0,0,0,0,0,2|2,0,0]=4 1195 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,0,0,0,0,2|2,0,0]=4 1196 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,0,0,0,0,2|2,0,0]=4 1197 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,0,0,0,0,2|2,0,0]=4 1198 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,0,0,0,0,2|2,0,0]=4 1199 B11R1.157 CC(=O)Nc1cc(ccn1)Cl TS45240 [0,0,0,0,0,2|2,0,0]=4 1200 B11R1.157 CC(=O)Nc1cc[nH]c(=O)n1 TS33084 [0,0,0,0,0,2|2,0,0]=4 1201 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [0,0,0,0,0,2|2,0,0]=4 1202 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [0,0,0,0,0,2|2,0,0]=4 1203 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [0,0,0,0,0,2|2,0,0]=4 1204 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [0,0,0,0,0,2|2,0,0]=4 1205 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [0,0,0,0,0,2|2,0,0]=4 1206 B11R1.157 CC(=O)Nc1ccnc(c1)Cl TS45239 [0,0,0,0,0,2|2,0,0]=4 1207 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [0,0,0,0,0,2|2,0,0]=4 1208 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [0,0,0,0,0,2|2,0,0]=4 1209 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,0,0,0,0,2|1,0,0]=3 1210 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [0,0,0,0,0,2|2,0,0]=4 1211 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,0,0,0,0,2|2,0,0]=4 1212 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [0,0,0,0,0,2|1,0,0]=3 1213 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [0,0,0,0,0,2|2,0,0]=4 1214 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [0,0,0,0,0,2|1,0,0]=3 1215 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [0,0,0,0,0,2|2,0,0]=4 1216 B11R1.157 Cc1cccc(n1)CC(=O)O TS10024 [0,0,0,0,0,2|2,0,0]=4 1217 B11R1.157 Cc1cccc(n1)NC(=O)C TS09892 [0,0,0,0,0,2|1,0,0]=3