0 B10R1.58 CC(=O)c1cc(c(s1)Cl)Cl TS51957 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 Cc1cc(nn1C)C(=O)O TS06436 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.58 Cc1cc(oc1C)C(=O)C TS06264 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.58 Cn1c(cc(n1)C(=O)O)N TS87775 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.58 c1c(c(oc1C(=O)O)Br)Br TS73940 [0,0,0,0,0,0|0,2,0]=2 7 B10R1.58 c1c(c(sc1C(=O)O)Br)Br TS54880 [0,0,0,0,0,0|0,3,0]=3 8 B10R1.58 c1c(c(sc1C(=O)O)Br)N TS23388 [0,0,0,0,0,0|1,2,0]=3 9 B10R1.58 c1c(c(sc1C(=O)O)Cl)Cl TS18406 [0,0,0,0,0,0|0,1,0]=1 10 B9R1.23 Cc1c(cc(s1)C=O)Br TS38752 [1,0,0,0,0,0|1,2,0]=4 11 B9R1.23 Cc1cc(oc1C)C=O TS32597 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.23 Cc1cc(sc1Br)C=O TS89210 [1,0,0,0,0,0|1,2,0]=4 13 B9R1.23 c1c(oc(c1Br)Br)C=O TS16347 [1,0,0,0,0,0|0,2,0]=3 14 B9R1.23 c1c(sc(c1Br)Br)C=O TS30734 [1,0,0,0,0,0|0,3,0]=4 15 B9R1.35 B(c1ccc(o1)C)(O)O TS01154 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.35 B(c1ccc(s1)Cl)(O)O TS03264 [1,0,0,0,0,0|1,1,1]=4 17 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [1,0,0,0,0,0|1,2,0]=4 19 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [1,0,0,0,0,0|1,1,0]=3 20 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [1,0,0,0,0,0|1,2,0]=4 23 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [1,0,0,0,0,0|1,2,0]=4 25 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [1,0,0,0,0,0|2,1,0]=4 26 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [1,0,0,0,0,0|2,1,0]=4 34 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [1,0,0,0,0,0|2,1,0]=4 35 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [1,0,0,0,0,0|1,1,0]=3 36 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [1,0,0,0,0,0|2,1,0]=4 41 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [1,0,0,0,0,0|1,1,0]=3 42 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [1,0,0,0,0,0|2,1,0]=4 43 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [1,0,0,0,0,0|2,1,0]=4 44 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [1,0,0,0,0,0|2,1,0]=4 47 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [1,0,0,0,0,0|2,1,0]=4 48 B9R1.35 Cc1nnc(o1)C(=O)O TS29444 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [1,0,0,0,0,0|1,1,0]=3 54 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [1,0,0,0,0,0|2,1,0]=4 55 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [1,0,0,0,0,0|1,2,0]=4 56 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [1,0,0,0,0,0|0,2,0]=3 57 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [1,0,0,0,0,0|0,1,0]=2 58 B9R1.35 c1c(csc1C(=O)O)F TS09710 [1,0,0,0,0,0|0,2,0]=3 59 B9R1.35 c1c(csc1C(=O)O)N TS14480 [1,0,0,0,0,0|1,1,0]=3 60 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.35 c1c(csc1F)C(=O)O TS87661 [1,0,0,0,0,0|2,1,0]=4 62 B9R1.35 c1c(n[nH]c1N)C(=O)O TS05251 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [1,0,0,0,0,0|2,1,0]=4 65 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [1,0,0,0,0,0|2,1,0]=4 67 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [1,0,0,0,0,0|1,2,0]=4 68 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [1,0,0,0,0,0|1,2,0]=4 71 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [1,0,0,0,0,0|1,2,0]=4 72 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [1,0,0,0,0,0|1,1,0]=3 73 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [1,0,0,0,0,0|2,1,0]=4 74 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [1,0,0,0,0,0|2,1,0]=4 75 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [1,0,0,0,0,0|2,1,0]=4 76 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [1,0,0,0,0,0|2,1,0]=4 77 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [1,0,0,0,0,0|1,1,0]=3 78 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [1,0,0,0,0,0|0,1,0]=2 79 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [1,0,0,0,0,0|0,0,0]=1 80 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.35 c1cc(oc1[N+](=O)[O-])Br TS17400 [1,0,0,0,0,0|1,1,1]=4 82 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [1,0,0,0,0,0|1,1,0]=3 83 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [1,0,0,0,0,0|1,1,0]=3 84 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [1,0,0,0,0,0|0,2,0]=3 85 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [1,0,0,0,0,0|0,2,0]=3 86 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [1,0,0,0,0,0|0,1,0]=2 87 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [1,0,0,0,0,0|0,2,0]=3 88 B11R1.79 c1c(c(sc1S(=O)(=O)Cl)Cl)Cl TS63036 [0,1,0,0,0,0|1,1,1]=4 89 B11R1.79 c1c(c(sc1S(=O)(=O)N)Cl)Cl TS47156 [0,1,0,0,0,0|1,1,1]=4 90 B11R1.226 COC(=O)c1cc(c([nH]1)Br)Br TS34488 [0,1,0,0,0,0|1,2,0]=4 91 B11R1.226 COC(=O)c1cc(c(s1)Br)F TS57189 [0,1,0,0,0,0|0,3,0]=4 92 B11R1.226 COC(=O)c1cc(c(s1)Cl)N TS02984 [0,1,0,0,0,0|1,1,0]=3 93 B11R1.226 c1c(c(sc1C(=O)CCl)Cl)Br TS74398 [0,1,0,0,0,0|1,2,0]=4 94 B11R1.226 c1c(c(sc1C(=O)CCl)Cl)Cl TS24769 [0,1,0,0,0,0|1,1,0]=3 95 B11R1.672 c1(c(c(sc1C(=O)Cl)Cl)Cl)Cl TS27977 [0,1,0,0,0,0|1,1,0]=3 96 B11R1.672 c1(c(c(sc1C(=O)O)Cl)Cl)Cl TS25114 [0,1,0,0,0,0|0,1,0]=2 97 B11R1.21 B(c1cc(c(nc1)Cl)Cl)(O)O TS47155 [0,0,0,0,0,1|2,0,1]=4 98 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O TS65743 [0,0,0,0,0,1|2,0,1]=4 99 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,0,0,0,0,1|2,0,0]=3 100 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,0,0,0,0,1|2,1,0]=4 101 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,0,0,0,0,1|3,0,0]=4 103 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,0,0,0,0,1|2,1,0]=4 104 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,0,0,0,0,1|3,0,0]=4 105 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,0,0,0,0,1|3,0,0]=4 106 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,0,0,0,0,1|2,1,0]=4 107 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,0,0,0,0,1|3,0,0]=4 108 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,0,0,0,0,1|2,0,0]=3 109 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,0,0,0,0,1|2,1,0]=4 110 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,0,0,0,0,1|2,1,0]=4 111 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,0,0,0,0,1|3,0,0]=4 112 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,0,0,0,0,1|3,0,0]=4 113 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,0,0,0,0,1|2,1,0]=4 114 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,0,0,0,0,1|3,0,0]=4 115 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,0,0,0,0,1|3,0,0]=4 116 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,0,0,0,0,1|2,1,0]=4 118 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,0,0,0,0,1|2,1,0]=4 119 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,0,0,0,0,1|3,0,0]=4 120 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,0,0,0,0,1|3,0,0]=4 121 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [0,0,0,0,0,1|2,1,0]=4 122 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [0,0,0,0,0,1|1,2,0]=4 123 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [0,0,0,0,0,1|1,1,0]=3 124 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [0,0,0,0,0,1|2,1,0]=4 125 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [0,0,0,0,0,1|1,0,0]=2 126 B11R1.21 c1c(cnc(c1Cl)Cl)[N+](=O)[O-] TS47147 [0,0,0,0,0,1|2,0,1]=4 127 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [0,0,0,0,0,1|1,2,0]=4 129 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O TS89514 [0,0,0,0,0,1|2,1,0]=4 130 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O TS92409 [0,0,0,0,0,1|2,1,0]=4 131 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [0,0,0,0,0,1|2,0,0]=3 132 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [0,0,0,0,0,1|2,1,0]=4 133 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [0,0,0,0,0,1|2,1,0]=4 134 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [0,0,0,0,0,1|2,0,0]=3 135 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [0,0,0,0,0,1|2,1,0]=4 136 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [0,0,0,0,0,1|3,0,0]=4 137 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [0,0,0,0,0,1|1,2,0]=4 138 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [0,0,0,0,0,1|1,1,0]=3 139 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [0,0,0,0,0,1|2,1,0]=4 140 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [0,0,0,0,0,1|2,1,0]=4 141 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [0,0,0,0,0,1|1,1,0]=3 142 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [0,0,0,0,0,1|1,0,0]=2 143 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [0,0,0,0,0,1|1,1,0]=3 144 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [0,0,0,0,0,1|2,0,0]=3 145 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [0,0,0,0,0,1|2,0,0]=3 146 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [0,0,0,0,0,1|1,2,0]=4 147 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [0,0,0,0,0,1|1,1,0]=3 148 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [0,0,0,0,0,1|1,2,0]=4 149 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [0,0,0,0,0,1|1,2,0]=4 150 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [0,0,0,0,0,1|2,1,0]=4 151 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [0,0,0,0,0,1|2,1,0]=4 152 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [0,0,0,0,0,1|1,1,0]=3 153 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [0,0,0,0,0,1|1,2,0]=4 154 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [0,0,0,0,0,1|1,2,0]=4 155 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [0,0,0,0,0,1|2,1,0]=4 156 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [0,0,0,0,0,1|2,1,0]=4 157 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [0,0,0,0,0,1|2,1,0]=4 158 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [0,0,0,0,0,1|2,0,0]=3 159 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [0,0,0,0,0,1|2,1,0]=4 160 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [0,0,0,0,0,1|2,1,0]=4 161 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [0,0,0,0,0,1|3,0,0]=4 162 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [0,0,0,0,0,1|2,1,0]=4 164 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [0,0,0,0,0,1|2,0,0]=3 165 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [0,0,0,0,0,1|2,1,0]=4 166 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [0,0,0,0,0,1|2,1,0]=4 167 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [0,0,0,0,0,1|3,0,0]=4 168 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [0,0,0,0,0,1|3,0,0]=4 169 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl TS38924 [0,0,0,0,0,1|2,1,0]=4 171 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)Cl TS51388 [0,0,0,0,0,1|2,0,1]=4 172 B11R1.21 c1cc(c(cc1S(=O)[O-])Cl)Cl TS30625 [0,0,0,0,0,1|2,0,1]=4 173 B11R1.74 B(c1cc(cc(c1)Cl)Cl)(O)O TS85487 [0,0,0,0,0,1|2,0,1]=4 174 B11R1.74 B(c1cc(nc(c1)Cl)Cl)(O)O TS17394 [0,0,0,0,0,1|2,0,1]=4 175 B11R1.74 C1C(=CC(=O)OC1=O)C(=O)O TS41578 [0,0,0,0,0,1|3,0,0]=4 176 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [0,0,0,0,0,1|2,0,0]=3 177 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [0,0,0,0,0,1|2,1,0]=4 178 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,0,0,0,0,1|3,0,0]=4 179 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,0,0,0,0,1|2,1,0]=4 180 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,0,0,0,0,1|3,0,0]=4 181 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [0,0,0,0,0,1|2,1,0]=4 182 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [0,0,0,0,0,1|2,0,0]=3 183 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [0,0,0,0,0,1|3,0,0]=4 184 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)Cl TS07938 [0,0,0,0,0,1|3,0,0]=4 185 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [0,0,0,0,0,1|2,0,0]=3 186 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [0,0,0,0,0,1|3,0,0]=4 187 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [0,0,0,0,0,1|2,0,0]=3 188 B11R1.74 Cc1cc(oc(=O)c1)C(=O)N TS41250 [0,0,0,0,0,1|3,0,0]=4 189 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O TS34403 [0,0,0,0,0,1|3,0,0]=4 190 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O TS02575 [0,0,0,0,0,1|1,2,0]=4 191 B11R1.74 c1c(cc(cc1Br)I)C(=O)O TS09339 [0,0,0,0,0,1|1,2,0]=4 192 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O TS32930 [0,0,0,0,0,1|1,1,0]=3 193 B11R1.74 c1c(cc(cc1Cl)Cl)C(=N)N TS24063 [0,0,0,0,0,1|3,0,0]=4 194 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl TS20795 [0,0,0,0,0,1|2,0,0]=3 195 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N TS16277 [0,0,0,0,0,1|2,0,0]=3 196 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O TS00127 [0,0,0,0,0,1|1,0,0]=2 197 B11R1.74 c1c(cc(cc1Cl)Cl)C(=S)N TS20104 [0,0,0,0,0,1|2,1,0]=4 198 B11R1.74 c1c(cc(cc1Cl)Cl)N(=O)=O TS65279 [0,0,0,0,0,1|2,0,1]=4 199 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O TS09359 [0,0,0,0,0,1|1,1,0]=3 200 B11R1.74 c1c(cc(cc1F)Br)C(=O)O TS65928 [0,0,0,0,0,1|1,2,0]=4 201 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O TS09353 [0,0,0,0,0,1|1,1,0]=3 202 B11R1.74 c1c(cc(cc1F)F)C(=O)O TS65800 [0,0,0,0,0,1|1,2,0]=4 203 B11R1.74 c1c(cc(cc1F)I)C(=O)O TS07838 [0,0,0,0,0,1|1,2,0]=4 204 B11R1.74 c1c(cc(cc1I)I)C(=O)O TS02365 [0,0,0,0,0,1|1,2,0]=4 205 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O TS22769 [0,0,0,0,0,1|2,0,0]=3 206 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS00125 [0,0,0,0,0,1|3,0,0]=4 207 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS23945 [0,0,0,0,0,1|3,0,0]=4 208 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O TS13254 [0,0,0,0,0,1|2,0,0]=3 209 B11R1.74 c1c(cc(cc1O)O)C(=O)O TS16724 [0,0,0,0,0,1|3,0,0]=4 210 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O TS00696 [0,0,0,0,0,1|1,2,0]=4 211 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)Cl TS43888 [0,0,0,0,0,1|2,0,0]=3 212 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O TS47303 [0,0,0,0,0,1|1,0,0]=2 213 B11R1.74 c1c(cc(nc1Cl)Cl)C(=S)N TS20312 [0,0,0,0,0,1|2,1,0]=4 214 B11R1.74 c1c(cc(nc1Cl)Cl)[N+](=O)[O-] TS17593 [0,0,0,0,0,1|2,0,1]=4 215 B11R1.74 c1c(cc(nc1F)F)C(=O)O TS11096 [0,0,0,0,0,1|1,2,0]=4 216 B11R1.74 c1c(cc(nc1O)Cl)C(=O)N TS13262 [0,0,0,0,0,1|3,0,0]=4 217 B11R1.74 c1c(cc(nc1O)O)C(=O)O TS10558 [0,0,0,0,0,1|3,0,0]=4 218 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)Cl TS60243 [0,0,0,0,0,1|2,0,0]=3 219 B8R0.28 C(C=CC(=O)O)C(=O)O TS36453 [1,0,1,0,0,0|1,0,1]=4 220 B8R0.23 C(=C(Cl)Cl)C(C(=O)O)N TS45077 [1,0,1,0,0,0|1,0,1]=4 221 B8R1.1 Cc1cc(sc1)C=O TS36137 [2,0,0,0,0,0|1,1,0]=4 222 B8R1.1 Cc1ccc(o1)C=O TS29447 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.1 Cc1ccc(o1)CO TS39784 [2,0,0,0,0,0|1,0,1]=4 224 B8R1.1 Cc1ccc(s1)C=O TS01147 [2,0,0,0,0,0|1,1,0]=4 225 B8R1.1 Cc1coc(n1)C=O TS90033 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.1 Cc1ncc(o1)C=O TS02441 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.1 c1c(coc1C=O)Br TS39327 [2,0,0,0,0,0|0,1,0]=3 229 B8R1.1 c1c(csc1C=O)Br TS70971 [2,0,0,0,0,0|0,2,0]=4 230 B8R1.1 c1c(csc1C=O)Cl TS88146 [2,0,0,0,0,0|0,1,0]=3 231 B8R1.1 c1c(csc1CO)Cl TS89056 [2,0,0,0,0,0|0,1,1]=4 232 B8R1.1 c1c(csc1Cl)C=O TS87564 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.1 c1c(sc(n1)C=O)Cl TS88531 [2,0,0,0,0,0|1,1,0]=4 234 B8R1.1 c1c(sc(n1)Cl)C=O TS07944 [2,0,0,0,0,0|1,1,0]=4 235 B8R1.1 c1cc(oc1C=O)Br TS71428 [2,0,0,0,0,0|0,1,0]=3 236 B8R1.1 c1cc(oc1C=O)I TS50041 [2,0,0,0,0,0|0,1,0]=3 237 B8R1.1 c1cc(sc1C=O)Br TS71469 [2,0,0,0,0,0|0,2,0]=4 238 B8R1.1 c1cc(sc1C=O)Cl TS60086 [2,0,0,0,0,0|0,1,0]=3 239 B8R1.1 c1cc(sc1C=O)Cl TS77528 [2,0,0,0,0,0|0,1,0]=3 240 B8R1.1 c1cc(sc1CO)Cl TS40709 [2,0,0,0,0,0|0,1,1]=4 241 B8R1.18 C1=C(C(=O)OC1=O)Br TS46214 [2,0,0,0,0,0|1,1,0]=4 242 B8R1.18 C1=C(C(=O)OC1=O)Cl TS36728 [2,0,0,0,0,0|1,0,0]=3 243 B8R1.18 CC1=CC(=O)OC1=O TS22789 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.18 c1c(c(sc1Cl)Cl)Cl TS50604 [2,0,0,0,0,0|1,1,0]=4 245 B8R1.7 B(c1ccco1)(O)O TS94317 [2,0,0,0,0,0|1,0,1]=4 246 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [2,0,0,0,0,0|0,0,2]=4 247 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.7 CC(=O)c1ccco1 TS04188 [2,0,0,0,0,0|1,0,0]=3 249 B8R1.7 CC(=O)c1cccs1 TS08262 [2,0,0,0,0,0|1,1,0]=4 250 B8R1.7 CC(c1ccco1)O TS31898 [2,0,0,0,0,0|1,0,1]=4 251 B8R1.7 C[C@H](c1ccco1)O TS31904 [2,0,0,0,0,0|1,0,1]=4 252 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.7 c1c(nco1)C(=O)O TS00378 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.7 c1c(ocn1)C(=O)N TS04275 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.7 c1c(ocn1)C(=O)O TS01173 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.7 c1cc(oc1)C(=N)N TS31821 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.7 c1cc(oc1)C(=O)N TS04237 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.7 c1cc(oc1)C(=O)O TS04269 [2,0,0,0,0,0|0,0,0]=2 263 B8R1.7 c1cc(oc1)C(=S)N TS05264 [2,0,0,0,0,0|1,1,0]=4 264 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [2,0,0,0,0,0|1,0,1]=4 265 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [2,0,0,0,0,0|1,1,0]=4 266 B8R1.7 c1cc(sc1)C(=O)N TS05268 [2,0,0,0,0,0|1,1,0]=4 267 B8R1.7 c1cc(sc1)C(=O)O TS59443 [2,0,0,0,0,0|0,1,0]=3 268 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [2,0,0,0,0,0|0,1,1]=4 269 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [2,0,0,0,0,0|0,1,1]=4 270 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [2,0,0,0,0,0|1,0,1]=4 271 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.7 c1cnoc1C(=O)Cl TS56205 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.7 c1cnoc1C(=O)N TS04271 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.7 c1cnsc1C(=O)O TS05447 [2,0,0,0,0,0|1,1,0]=4 275 B8R1.7 c1coc(n1)C(=O)N TS04277 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.7 c1coc(n1)C(=O)O TS39923 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.7 c1cocc1C(=O)O TS02783 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.7 c1cocc1C(=O)O TS13775 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.7 c1conc1C(=O)O TS00353 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.7 c1csc(n1)C(=O)O TS05448 [2,0,0,0,0,0|1,1,0]=4 281 B8R1.7 c1csc(n1)C(=O)O TS85376 [2,0,0,0,0,0|1,1,0]=4 282 B8R1.7 c1cscc1C(=O)O TS59444 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.7 c1csnc1C(=O)O TS91622 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [1,1,0,0,0,0|1,1,0]=4 286 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [1,1,0,0,0,0|1,1,0]=4 287 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [1,1,0,0,0,0|0,2,0]=4 288 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [1,1,0,0,0,0|0,1,0]=3 289 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [1,1,0,0,0,0|1,1,0]=4 290 B10R1.14 COC(=O)c1cc(no1)O TS59694 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [1,1,0,0,0,0|0,1,0]=3 293 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [1,1,0,0,0,0|0,2,0]=4 294 B10R1.14 COC(=O)c1csc(n1)Cl TS56249 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [1,1,0,0,0,0|1,1,0]=4 297 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.14 c1cc(oc1C(=O)NN)Br TS19887 [1,1,0,0,0,0|1,1,0]=4 300 B10R1.14 c1cc(sc1C(=O)CBr)Cl TS59946 [1,1,0,0,0,0|1,1,0]=4 301 B10R1.14 c1cc(sc1C(=O)NN)Cl TS46192 [1,1,0,0,0,0|1,1,0]=4 302 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [1,1,0,0,0,0|1,1,0]=4 304 B10R1.31 COc1cc(on1)C(=O)O TS39312 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [1,1,0,0,0,0|1,1,0]=4 306 B10R1.31 c1c(c[nH]c1C(=O)O)C=O TS06351 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [1,1,0,0,0,0|1,1,0]=4 312 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.59 Cn1c(cc(n1)Cl)C(=O)O TS91778 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.59 c1(c(nc(s1)Cl)Cl)C(=O)O TS47202 [1,1,0,0,0,0|1,1,0]=4 316 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O TS00669 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [1,1,0,0,0,0|0,2,0]=4 318 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.194 c1(c(nsc1Cl)C(=O)O)Cl TS18540 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.194 c1(c(snc1Cl)C(=O)O)Cl TS18541 [1,1,0,0,0,0|1,1,0]=4 321 B10R1.194 c1c(c(c([nH]1)C(=O)O)F)F TS89314 [1,1,0,0,0,0|1,1,0]=4 322 B10R1.194 c1c(c(c(s1)Cl)Cl)C(=O)O TS18405 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.23 c1cc(c(cc1S(=O)(=O)O)Cl)Cl TS24319 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl TS65155 [0,1,0,0,0,1|2,0,0]=4 325 B12R1.48 COc1ccc(cc1Cl)C(=O)O TS15714 [0,1,0,0,0,1|2,0,0]=4 326 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,1,0,0,0,1|2,0,0]=4 327 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,1,0,0,0,1|2,0,0]=4 328 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,1,0,0,0,1|1,1,0]=4 329 B12R1.232 c1c(c(cc(c1Cl)Br)Cl)C(=O)O TS16759 [0,1,0,0,0,1|1,1,0]=4 330 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,1,0,0,0,1|1,1,0]=4 331 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,1,0,0,0,1|1,0,0]=3 332 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,1,0,0,0,1|1,0,0]=3 333 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O TS09827 [0,1,0,0,0,1|1,1,0]=4 334 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,1,0,0,0,1|1,1,0]=4 335 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,1,0,0,0,1|1,1,0]=4 336 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,1,0,0,0,1|2,0,0]=4 337 B12R1.232 c1c(c(nc(c1F)Cl)Cl)C(=O)O TS43716 [0,1,0,0,0,1|1,1,0]=4 338 B12R1.367 CC(=NO)c1ccc(c(c1)Cl)Cl TS19675 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl TS19511 [0,1,0,0,0,1|2,0,0]=4 340 B12R1.367 COC(=O)c1cc(c(=O)oc1)Br TS25325 [0,1,0,0,0,1|1,1,0]=4 341 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br TS56305 [0,1,0,0,0,1|1,1,0]=4 342 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl TS20085 [0,1,0,0,0,1|1,0,0]=3 343 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl TS19901 [0,1,0,0,0,1|1,0,0]=3 344 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N TS15518 [0,1,0,0,0,1|2,0,0]=4 345 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O TS15704 [0,1,0,0,0,1|2,0,0]=4 346 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl TS58672 [0,1,0,0,0,1|1,1,0]=4 347 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl TS08570 [0,1,0,0,0,1|2,0,0]=4 348 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [0,1,0,0,0,1|2,0,0]=4 349 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC TS32935 [0,1,0,0,0,1|2,0,0]=4 350 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl TS30477 [0,1,0,0,0,1|2,0,0]=4 351 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl TS50373 [0,1,0,0,0,1|2,0,0]=4 352 B12R1.367 c1cc(c(cc1C(=O)CN)Cl)Cl TS26602 [0,1,0,0,0,1|2,0,0]=4 353 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Cl TS38742 [0,1,0,0,0,1|2,0,0]=4 354 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl TS50370 [0,1,0,0,0,1|2,0,0]=4 355 B12R1.893 c1c(c(c(c(n1)C(=O)N)Cl)Cl)Cl TS24053 [0,1,0,0,0,1|2,0,0]=4 356 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,1,0,0,0,1|1,0,0]=3 357 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F TS02327 [0,1,0,0,0,1|1,1,0]=4 358 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F TS09343 [0,1,0,0,0,1|1,1,0]=4 359 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,1,0,0,0,1|1,1,0]=4 360 B12R1.1005 Cc1c(cc(cc1Cl)C(=O)O)Cl TS19907 [0,1,0,0,0,1|2,0,0]=4 361 B12R1.1005 Cc1cc(cc(c1N)Cl)C(=O)O TS15526 [0,1,0,0,0,1|2,0,0]=4 362 B12R1.1005 c1c(cc(c(c1Cl)F)Cl)C(=O)O TS02354 [0,1,0,0,0,1|1,1,0]=4 363 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)C(=O)O TS65781 [0,1,0,0,0,1|2,0,0]=4 364 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)O TS39118 [0,1,0,0,0,1|2,0,0]=4 365 B12R1.1005 c1c(cc(c(c1F)F)Cl)C(=O)O TS65495 [0,1,0,0,0,1|1,1,0]=4 366 B12R1.1005 c1c(cc(c(c1N)Cl)Cl)C(=O)O TS38923 [0,1,0,0,0,1|1,0,0]=3 367 B12R1.1005 c1c(cc(c(c1N)Cl)N)C(=O)O TS48990 [0,1,0,0,0,1|2,0,0]=4 368 B12R1.11 COc1cc(cc(c1)Cl)C(=O)O TS15717 [0,1,0,0,0,1|2,0,0]=4 369 B12R1.11 COc1cc(cc(n1)Cl)C(=O)O TS55269 [0,1,0,0,0,1|2,0,0]=4 370 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl TS94244 [0,1,0,0,0,1|2,0,0]=4 371 B12R1.358 COC(=O)c1cc(cc(c1)Cl)Cl TS19906 [0,1,0,0,0,1|1,0,0]=3 372 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl TS39898 [0,1,0,0,0,1|1,0,0]=3 373 B12R1.358 COC(=O)c1cc(nc(n1)Cl)Cl TS56238 [0,1,0,0,0,1|1,0,0]=3 374 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC TS56250 [0,1,0,0,0,1|2,0,0]=4 375 B12R1.358 Cc1cc(nc(n1)Cl)C(=O)OC TS15727 [0,1,0,0,0,1|2,0,0]=4 376 B12R1.358 c1c(cc(cc1Cl)Cl)C(=O)NN TS38748 [0,1,0,0,0,1|2,0,0]=4 377 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl TS19908 [0,1,0,0,0,1|2,0,0]=4 378 B12R1.511 Cc1cc(cc(c1N)C(=O)O)Cl TS00772 [0,1,0,0,0,1|2,0,0]=4 379 B12R1.511 c1c(c(c(nc1Cl)Cl)O)C(=O)O TS20474 [0,1,0,0,0,1|1,0,0]=3 380 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)Cl)Cl TS24052 [0,1,0,0,0,1|1,0,0]=3 381 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)Cl)N TS20084 [0,1,0,0,0,1|2,0,0]=4 382 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)N)Cl TS20086 [0,1,0,0,0,1|2,0,0]=4 383 B12R1.511 c1c(cc(c(c1C(=O)O)N)Cl)Cl TS38921 [0,1,0,0,0,1|1,0,0]=3 384 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Cl TS63028 [0,1,0,0,0,1|1,1,0]=4 385 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl TS39117 [0,1,0,0,0,1|1,0,0]=3 386 B12R1.63 Cc1c(cc(o1)C(=O)OC)CCl TS50818 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.111 c1c(c(sc1C(=O)O)Cl)[N+](=O)[O-] TS43341 [0,2,0,0,0,0|1,1,0]=4 388 B12R1.314 CCOC(=O)c1cc(c(o1)C)C TS44859 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,0,1,1,0,0|2,0,0]=4 390 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,0,1,1,0,0|2,0,0]=4 391 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,0,1,1,0,0|2,0,0]=4 392 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,0,1,1,0,0|2,0,0]=4 393 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,0,1,1,0,0|2,0,0]=4 394 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,0,1,1,0,0|2,0,0]=4 395 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,0,1,1,0,0|2,0,0]=4 396 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,0,1,1,0,0|2,0,0]=4 397 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS00577 [0,0,1,1,0,0|2,0,0]=4 398 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS22663 [0,0,1,1,0,0|2,0,0]=4 399 B10R1.118 c1c(c(nc(c1Cl)Cl)O)Cl TS65771 [0,0,1,1,0,0|2,0,0]=4 400 B8R0.2 C(=O)C(=C(C(=O)O)Cl)Cl TS07895 [0,0,1,0,1,0|2,0,0]=4 401 B10R1.8 Cc1cc(cc(n1)Cl)C=O TS10619 [1,0,0,0,0,1|2,0,0]=4 402 B10R1.8 c1c(cc(cc1Cl)Br)C=O TS49660 [1,0,0,0,0,1|1,1,0]=4 403 B10R1.8 c1c(cc(cc1Cl)Cl)C=O TS65784 [1,0,0,0,0,1|1,0,0]=3 404 B10R1.8 c1c(cc(cc1Cl)Cl)CO TS65787 [1,0,0,0,0,1|1,0,1]=4 405 B10R1.8 c1c(cc(cc1F)Cl)C=O TS09352 [1,0,0,0,0,1|1,1,0]=4 406 B10R1.8 c1c(cc(cc1O)Cl)C=O TS10790 [1,0,0,0,0,1|2,0,0]=4 407 B10R1.8 c1c(cc(nc1Cl)Cl)C=O TS47302 [1,0,0,0,0,1|1,0,0]=3 408 B10R1.54 CC(=O)Nc1ccc(s1)Cl TS13763 [1,0,0,0,0,1|1,1,0]=4 409 B10R1.54 c1c(nc(s1)CC(=O)O)Cl TS92752 [1,0,0,0,0,1|1,1,0]=4 410 B10R1.54 c1c(sc(n1)CC(=O)O)Cl TS86877 [1,0,0,0,0,1|1,1,0]=4 411 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl TS19510 [0,0,0,0,0,2|2,0,0]=4 412 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O TS15519 [0,0,0,0,0,2|2,0,0]=4 413 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl TS07854 [0,0,0,0,0,2|1,0,0]=3 414 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F TS02687 [0,0,0,0,0,2|1,1,0]=4 415 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O TS15711 [0,0,0,0,0,2|2,0,0]=4 416 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl TS16086 [0,0,0,0,0,2|1,1,0]=4 417 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl TS60194 [0,0,0,0,0,2|2,0,0]=4 418 B12R1.101 c1c(cc(cc1Cl)Cl)NC(=O)N TS38747 [0,0,0,0,0,2|2,0,0]=4 419 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O TS16082 [0,0,0,0,0,2|1,1,0]=4 420 B12R1.110 Cc1cc(oc1C)C=CC(=O)O TS43051 [0,0,0,0,0,2|2,0,0]=4 421 B12R1.110 Cc1cc(oc1C)CCC(=O)O TS44865 [0,0,0,0,0,2|2,0,0]=4