0 B11R1.166 B(c1ccc(cc1C)Br)(O)O TS94834 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.166 B(c1ccc(cc1C)Cl)(O)O TS71021 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 B(c1ccc(cc1C)F)(O)O TS01122 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 B(c1ccc(nc1C)C)(O)O TS00706 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(=O)c1c[nH]c(=O)[nH]c1=O TS03212 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.166 CC(c1ccc(cc1Cl)Cl)N TS51012 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.166 CC(c1ccc(cc1F)F)N TS41758 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.166 CC1=CC(=O)C(CC1)C(=O)C TS10178 [0,0,0,0,0,0|1,0,3]=4 30 B11R1.166 CN(C)c1ccc(cc1Br)F TS49358 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.166 CN(C)c1ccc(cc1F)Br TS49357 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.166 CN(C)c1ccc(cc1F)F TS41754 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.166 C[C@@H](c1ccc(cc1F)F)N TS17734 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.166 C[C@H](c1ccc(cc1F)F)N TS17732 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.166 Cc1c(ccc(n1)Br)[N+](=O)[O-] TS08367 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.166 Cc1c(ccc(n1)Cl)[N+](=O)[O-] TS55568 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.166 Cc1c(ccc(n1)F)[N+](=O)[O-] TS60284 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] TS47447 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] TS01054 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.166 Cc1c(cnc(n1)N)C(=O)C TS10045 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.166 Cc1c(cnc(n1)N)C(=O)O TS10294 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.166 Cc1cc(c(cn1)[N+](=O)[O-])N TS10295 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,0,0,0,0,0|1,0,0]=1 51 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,0,0,0,0,0|1,0,0]=1 52 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,0,0,0,0,0|1,0,0]=1 53 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,0,0,0,0,0|2,0,1]=3 60 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br TS16764 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl TS03259 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F TS93803 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])I TS68681 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N TS02830 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.166 Cc1cc(cnc1[N+](=O)[O-])Br TS22161 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Br TS08329 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])C TS10154 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Cl TS55230 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])F TS55339 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS47410 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS85433 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O TS55393 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,0,0,0,0,0|2,0,0]=2 81 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,0,0,0,0,0|0,0,0]=0 83 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,0,0,0,0,0|1,0,0]=1 84 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,0,0,0,0,0|1,0,0]=1 85 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,0,0,0,0,0|0,0,2]=2 86 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,0,0,0,0,0|1,0,1]=2 87 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,0,0,0,0,0|3,0,0]=3 96 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,0,0,0,0,0|1,0,0]=1 97 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,0,0,0,0,0|2,0,0]=2 99 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,0,0,0,0,0|2,0,1]=3 100 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,0,0,0,0,0|2,0,1]=3 101 B11R1.166 Cc1ccc(c(n1)Br)[N+](=O)[O-] TS08965 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,0,0,0,0,0|2,0,0]=2 103 B11R1.166 Cc1ccc(c(n1)C)[N+](=O)[O-] TS41116 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.166 Cc1ccc(c(n1)Cl)[N+](=O)[O-] TS08429 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] TS00723 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] TS55627 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.166 Cc1cn(=O)ccc1N(=O)=O TS02831 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,0,0,0,0,0|2,0,0]=2 113 B11R1.166 c1c(c(cnc1Cl)C(=O)N)Cl TS17219 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [0,0,0,0,0,0|4,0,0]=4 117 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,0,0,0,0,0|4,0,0]=4 118 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.166 c1c(cnc(c1N)C(=O)N)Br TS90046 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,0,0,0,0,0|3,0,0]=3 139 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.166 c1cc(c(cc1Cl)Br)[N+](=O)[O-] TS55096 [0,0,0,0,0,0|4,0,0]=4 141 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,0,0,0,0,0|3,1,0]=4 146 B11R1.166 c1cc(c(cc1Cl)Cl)N(=O)=O TS59919 [0,0,0,0,0,0|4,0,0]=4 147 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.166 c1cc(c(cc1Cl)F)N(=O)=O TS03042 [0,0,0,0,0,0|4,0,0]=4 150 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] TS03255 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.166 c1cc(c(cc1F)Br)N(=O)=O TS08320 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.166 c1cc(c(cc1F)Cl)N(=O)=O TS00888 [0,0,0,0,0,0|4,0,0]=4 161 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,0,0,0,0,0|3,1,0]=4 167 B11R1.166 c1cc(c(cc1F)F)N(=O)=O TS00634 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,0,0,0,0,0|3,0,0]=3 170 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] TS03303 [0,0,0,0,0,0|4,0,0]=4 171 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] TS09460 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] TS13258 [0,0,0,0,0,0|4,0,0]=4 181 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,0,0,0,0,0|3,0,0]=3 182 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] TS02760 [0,0,0,0,0,0|4,0,0]=4 183 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,0,0,0,0,0|3,0,0]=3 184 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS10297 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS62964 [0,0,0,0,0,0|4,0,0]=4 186 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,0,0,0,0,0|3,0,0]=3 187 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,0,0,0,0,0|3,0,0]=3 188 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,0,0,0,0,0|3,0,0]=3 189 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,0,0,0,0,0|3,0,0]=3 190 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,0,0,0,0,0|3,0,0]=3 191 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [0,0,0,0,0,0|4,0,0]=4 192 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,0,0,0,0,0|3,0,0]=3 193 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,0,0,0,0,0|3,0,0]=3 194 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,0,0,0,0,0|4,0,0]=4 195 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [0,0,0,0,0,0|4,0,0]=4 196 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,0,0,0,0,0|4,0,0]=4 197 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,0,0,0,0,0|4,0,0]=4 198 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [0,0,0,0,0,0|4,0,0]=4 199 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,0,0,0,0,0|4,0,0]=4 200 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,0,0,0,0,0|4,0,0]=4 201 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,0,0,0,0,0|2,0,0]=3 204 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,0,0,0,0,0|1,0,0]=2 205 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,0,0,0,0,0|1,0,0]=2 206 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,0,0,0,0,0|1,0,0]=2 207 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,0,0,0,0,0|1,0,0]=2 208 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,0,0,0,0,0|1,0,0]=2 209 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [1,0,0,0,0,0|2,0,1]=4 219 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [1,0,0,0,0,0|2,0,1]=4 220 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [1,0,0,0,0,0|2,0,1]=4 222 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,0,0,0,0,0|2,0,1]=4 223 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,0,0,0,0,0|1,0,2]=4 226 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,0,0,0,0,0|1,0,2]=4 227 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,0,0,0,0,0|1,0,2]=4 228 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,0,0,0,0,0|1,0,2]=4 229 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,0,0,0,0,0|1,0,2]=4 240 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,0,0,0,0,0|1,0,2]=4 242 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,0,0,0,0,0|1,0,2]=4 244 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,0,0,0,0,0|1,0,2]=4 246 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,0,0,0,0,0|1,0,2]=4 248 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,0,0,0,0,0|1,0,2]=4 249 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [1,0,0,0,0,0|2,0,1]=4 250 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,0,0,0,0,0|2,0,0]=3 251 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,0,0,0,0,0|1,0,0]=2 252 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,0,0,0,0,0|0,0,0]=1 254 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,0,0,0,0,0|1,0,0]=2 255 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,0,0,0,0,0|1,0,0]=2 256 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,0,0,0,0,0|1,0,0]=2 257 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,0,0,0,0,0|1,1,0]=3 258 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,0,0,0,0,0|1,0,1]=3 259 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,0,0,0,0,0|1,0,1]=3 260 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,0,0,0,0,0|1,0,1]=3 261 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,0,0,0,0,0|0,0,2]=3 262 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,0,0,0,0,0|1,0,0]=2 265 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,0,0,0,0,0|1,0,0]=2 266 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,0,0,0,0,0|1,0,1]=3 273 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,0,0,0,0,0|1,0,1]=3 274 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,0,0,0,0,0|1,0,1]=3 275 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,0,0,0,0,0|1,0,0]=2 277 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [1,0,0,0,0,0|2,1,0]=4 280 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,0,0,0,0,0|1,0,0]=2 282 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,0,0,0,0,0|2,0,0]=3 304 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,0,0,0,0,0|2,0,0]=3 314 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,0,0,0,0,0|2,0,0]=3 316 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,0,0,0,0,0|2,0,0]=3 317 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,0,0,0,0,0|2,0,0]=3 318 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,0,0,0,0,0|2,0,0]=3 319 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,0,0,0,0,0|2,0,0]=3 321 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,0,0,0,0,0|2,1,0]=4 323 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,0,0,0,0,0|2,1,0]=4 324 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,0,0,0,0,0|2,1,0]=4 325 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,0,0,0,0,0|2,1,0]=4 326 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,0,0,0,0,0|2,1,0]=4 327 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,0,0,0,0,0|3,0,0]=4 351 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,0,0,0,0,0|3,0,0]=4 352 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,0,0,0,0,0|3,0,0]=4 353 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [1,0,0,0,0,0|2,0,1]=4 360 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [1,0,0,0,0,0|2,0,1]=4 361 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [1,0,0,0,0,0|2,0,1]=4 362 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,0,0,0,0,0|0,0,1]=2 363 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,0,0,0,0,0|2,0,1]=4 364 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,0,0,0,0,0|2,0,1]=4 365 B10R1.25 CCc1cnc(cc1N)C TS03292 [1,0,0,0,0,0|2,0,1]=4 366 B10R1.25 CNc1ccc(cc1F)F TS40063 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.25 COc1ccc(cc1F)F TS09234 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.25 COc1ccc(cc1F)N TS02745 [1,0,0,0,0,0|3,0,0]=4 378 B10R1.25 COc1ccc(cc1F)O TS02753 [1,0,0,0,0,0|3,0,0]=4 379 B10R1.25 COc1ccc(cc1F)S TS10975 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.25 COc1ccc(cc1I)N TS39440 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.25 COc1ccc(cc1I)N TS54863 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,0,0,0,0,0|3,0,0]=4 385 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.25 COc1ccc(cc1N)F TS07833 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.25 COc1ccc(cc1N)I TS65363 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.25 COc1ccc(cc1N)N TS37199 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.25 COc1ccc(cc1N)N TS43949 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.25 COc1ccc(cc1N)N TS56780 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.25 COc1ccc(cc1O)F TS07835 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.25 COc1ccc(cc1O)N TS37282 [1,0,0,0,0,0|3,0,0]=4 395 B10R1.25 COc1ccc(cc1O)O TS06433 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.25 COc1ccc(cc1S)F TS10974 [1,0,0,0,0,0|3,0,0]=4 397 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [1,0,0,0,0,0|2,0,0]=3 399 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [1,0,0,0,0,0|2,0,0]=3 400 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [1,0,0,0,0,0|3,0,0]=4 401 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [1,0,0,0,0,0|2,0,1]=4 402 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [1,0,0,0,0,0|2,0,1]=4 404 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [1,0,0,0,0,0|1,0,0]=2 405 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [1,0,0,0,0,0|1,0,0]=2 406 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [1,0,0,0,0,0|1,0,0]=2 407 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [1,0,0,0,0,0|2,0,1]=4 408 B10R1.25 Cc1cc(ccc1CN)F TS37292 [1,0,0,0,0,0|2,0,1]=4 409 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,0,0,0,0,0|1,0,2]=4 410 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.25 Cc1cc(ccc1NN)F TS37376 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,0,0,0,0,0|2,0,0]=3 413 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,0,0,0,0,0|2,0,0]=3 414 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,0,0,0,0,0|2,0,0]=3 416 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,0,0,0,0,0|2,0,0]=3 417 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,0,0,0,0,0|2,0,0]=3 418 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [1,0,0,0,0,0|3,0,0]=4 419 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [1,0,0,0,0,0|2,0,1]=4 420 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [1,0,0,0,0,0|2,0,0]=3 421 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.25 Cc1cc(cnc1OC)F TS39347 [1,0,0,0,0,0|3,0,0]=4 423 B10R1.25 Cc1cc(ncc1C#N)C TS05752 [1,0,0,0,0,0|2,0,1]=4 424 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [1,0,0,0,0,0|2,0,0]=3 425 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [1,0,0,0,0,0|2,0,1]=4 426 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,0,0,0,0,0|1,0,0]=2 427 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,0,0,0,0,0|2,0,0]=3 428 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [1,0,0,0,0,0|2,0,1]=4 429 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [1,0,0,0,0,0|1,0,1]=3 430 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,0,0,0,0,0|0,0,1]=2 431 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,0,0,0,0,0|0,0,0]=1 432 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,0,0,0,0,0|1,0,1]=3 433 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,0,0,0,0,0|1,0,1]=3 434 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,0,0,0,0,0|1,0,1]=3 435 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,0,0,0,0,0|0,0,2]=3 436 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [1,0,0,0,0,0|2,0,0]=3 437 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,0,0,0,0,0|1,0,0]=2 438 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [1,0,0,0,0,0|2,0,1]=4 439 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [1,0,0,0,0,0|3,0,0]=4 440 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,0,0,0,0,0|2,0,0]=3 441 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [1,0,0,0,0,0|2,0,1]=4 442 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,0,0,0,0,0|1,0,0]=2 443 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,0,0,0,0,0|2,0,0]=3 445 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,0,0,0,0,0|2,0,0]=3 446 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [1,0,0,0,0,0|2,0,1]=4 447 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,0,0,0,0,0|2,0,0]=3 448 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,0,0,0,0,0|2,0,1]=4 449 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,0,0,0,0,0|1,0,0]=2 450 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,0,0,0,0,0|2,0,0]=3 451 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [1,0,0,0,0,0|3,0,0]=4 452 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [1,0,0,0,0,0|1,0,0]=2 453 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [1,0,0,0,0,0|1,0,2]=4 454 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [1,0,0,0,0,0|2,0,0]=3 455 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [1,0,0,0,0,0|2,0,0]=3 456 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [1,0,0,0,0,0|3,0,0]=4 457 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [1,0,0,0,0,0|3,0,0]=4 458 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [1,0,0,0,0,0|2,0,0]=3 460 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [1,0,0,0,0,0|2,0,0]=3 461 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,0,0,0,0,0|2,0,0]=3 462 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [1,0,0,0,0,0|2,0,0]=3 463 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [1,0,0,0,0,0|2,0,0]=3 464 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,0,0,0,0,0|2,0,0]=3 465 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [1,0,0,0,0,0|2,0,0]=3 466 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [1,0,0,0,0,0|2,0,0]=3 467 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [1,0,0,0,0,0|2,0,0]=3 468 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,0,0,0,0,0|2,0,0]=3 469 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [1,0,0,0,0,0|2,0,0]=3 470 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [1,0,0,0,0,0|2,0,0]=3 471 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [1,0,0,0,0,0|2,0,0]=3 472 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [1,0,0,0,0,0|2,0,0]=3 473 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,0,0,0,0,0|2,0,0]=3 474 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,0,0,0,0,0|3,0,0]=4 475 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [1,0,0,0,0,0|3,0,0]=4 476 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [1,0,0,0,0,0|3,0,0]=4 477 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [1,0,0,0,0,0|3,0,0]=4 478 B10R1.61 B(c1ccccc1C)(O)O TS02443 [1,0,0,0,0,0|2,0,1]=4 479 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,0,0,0,0,0|2,0,0]=3 480 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,0,0,0,0,0|2,0,0]=3 481 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [1,0,0,0,0,0|2,0,0]=3 482 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [1,0,0,0,0,0|2,0,0]=3 483 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,0,0,0,0,0|2,0,0]=3 484 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [1,0,0,0,0,0|3,0,0]=4 485 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [1,0,0,0,0,0|3,0,0]=4 486 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,0,0,0,0,0|1,0,0]=2 487 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,0,0,0,0,0|1,0,0]=2 488 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,0,0,0,0,0|1,0,0]=2 489 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,0,0,0,0,0|1,0,0]=2 490 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,0,0,0,0,0|1,0,0]=2 491 B10R1.61 CC(=O)c1cccnc1Br TS18940 [1,0,0,0,0,0|2,0,0]=3 492 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [1,0,0,0,0,0|2,0,0]=3 493 B10R1.61 CC(=O)c1cccnc1F TS02616 [1,0,0,0,0,0|2,0,0]=3 494 B10R1.61 CC(=O)c1cccnc1N TS08276 [1,0,0,0,0,0|2,0,0]=3 495 B10R1.61 CC(=O)c1ccncc1Br TS18937 [1,0,0,0,0,0|2,0,0]=3 496 B10R1.61 CC(=O)c1ccncc1Br TS76034 [1,0,0,0,0,0|2,0,0]=3 497 B10R1.61 CC(=O)c1ccncc1F TS08156 [1,0,0,0,0,0|2,0,0]=3 498 B10R1.61 CC(=O)c1ccncc1N TS06058 [1,0,0,0,0,0|2,0,0]=3 499 B10R1.61 CC(=O)c1cnccc1F TS37273 [1,0,0,0,0,0|2,0,0]=3 500 B10R1.61 CC(C)c1ccccc1Br TS46918 [1,0,0,0,0,0|2,0,1]=4 501 B10R1.61 CC(C)c1ccccc1F TS06286 [1,0,0,0,0,0|2,0,1]=4 502 B10R1.61 CC(C)c1ccccc1I TS27403 [1,0,0,0,0,0|2,0,1]=4 503 B10R1.61 CC(C)c1ccccc1N TS06016 [1,0,0,0,0,0|2,0,1]=4 504 B10R1.61 CC(C)c1ccccc1O TS06094 [1,0,0,0,0,0|2,0,1]=4 505 B10R1.61 CC(C)c1ccccc1S TS41199 [1,0,0,0,0,0|2,0,1]=4 506 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [1,0,0,0,0,0|2,0,1]=4 507 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,0,0,0,0,0|1,0,2]=4 508 B10R1.61 CC(c1ccccc1Cl)N TS10635 [1,0,0,0,0,0|2,0,1]=4 509 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,0,0,0,0,0|1,0,2]=4 510 B10R1.61 CC(c1ccccc1F)N TS37297 [1,0,0,0,0,0|2,0,1]=4 511 B10R1.61 CC(c1ccccc1F)O TS08150 [1,0,0,0,0,0|1,0,2]=4 512 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [1,0,0,0,0,0|1,0,2]=4 513 B10R1.61 CN(C)c1ccccc1Br TS37850 [1,0,0,0,0,0|3,0,0]=4 514 B10R1.61 CN(C)c1ccccc1Cl TS10629 [1,0,0,0,0,0|3,0,0]=4 515 B10R1.61 CN(C)c1ccccc1F TS37299 [1,0,0,0,0,0|3,0,0]=4 516 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,0,0,0,0,0|2,0,0]=3 517 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,0,0,0,0,0|1,0,2]=4 518 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,0,0,0,0,0|1,0,2]=4 519 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [1,0,0,0,0,0|2,0,1]=4 520 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,0,0,0,0,0|1,0,2]=4 521 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [1,0,0,0,0,0|2,0,1]=4 522 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,0,0,0,0,0|1,0,2]=4 523 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [1,0,0,0,0,0|2,0,1]=4 524 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,0,0,0,0,0|1,0,2]=4 525 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [1,0,0,0,0,0|2,0,0]=3 526 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [1,0,0,0,0,0|2,0,0]=3 527 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [1,0,0,0,0,0|3,0,0]=4 529 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [1,0,0,0,0,0|3,0,0]=4 530 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [1,0,0,0,0,0|2,0,0]=3 531 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [1,0,0,0,0,0|3,0,0]=4 532 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,0,0,0,0,0|1,0,0]=2 533 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,0,0,0,0,0|2,0,0]=3 534 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,0,0,0,0,0|0,0,0]=1 535 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [1,0,0,0,0,0|1,0,0]=2 536 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,0,0,0,0,0|1,0,0]=2 537 B10R1.61 Cc1ccccc1C(=O)O TS01622 [1,0,0,0,0,0|1,0,0]=2 538 B10R1.61 Cc1ccccc1C(=S)N TS41052 [1,0,0,0,0,0|1,1,0]=3 539 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,0,0,0,0,0|1,0,1]=3 540 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,0,0,0,0,0|0,0,2]=3 541 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,0,0,0,0,0|2,0,0]=3 542 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,0,0,0,0,0|1,0,1]=3 543 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,0,0,0,0,0|1,0,1]=3 544 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [1,0,0,0,0,0|2,0,0]=3 545 B10R1.61 Cc1cccnc1C(=O)O TS37085 [1,0,0,0,0,0|2,0,0]=3 546 B10R1.61 Cc1cccnc1C(=O)O TS60354 [1,0,0,0,0,0|2,0,0]=3 547 B10R1.61 Cc1cccnc1[N+](=O)[O-] TS70660 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.61 Cc1ccncc1C(=O)O TS39766 [1,0,0,0,0,0|2,0,0]=3 549 B10R1.61 Cc1ccncc1C(=O)O TS71235 [1,0,0,0,0,0|2,0,0]=3 550 B10R1.61 Cc1ccncc1[N+](=O)[O-] TS71233 [1,0,0,0,0,0|3,0,0]=4 551 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [1,0,0,0,0,0|3,0,0]=4 552 B10R1.61 Cc1cnccc1C(=O)N TS02849 [1,0,0,0,0,0|2,0,0]=3 553 B10R1.61 Cc1cnccc1C(=O)O TS06159 [1,0,0,0,0,0|2,0,0]=3 554 B10R1.61 Cc1cnccc1C(=O)O TS86033 [1,0,0,0,0,0|2,0,0]=3 555 B10R1.61 Cc1cnccc1[N+](=O)[O-] TS86937 [1,0,0,0,0,0|3,0,0]=4 556 B10R1.61 Cc1cnncc1C(=O)O TS87483 [1,0,0,0,0,0|3,0,0]=4 557 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [1,0,0,0,0,0|3,0,0]=4 558 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [1,0,0,0,0,0|3,0,0]=4 559 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [1,0,0,0,0,0|3,0,0]=4 560 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [1,0,0,0,0,0|3,0,0]=4 561 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [1,0,0,0,0,0|3,0,0]=4 562 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [1,0,0,0,0,0|3,0,0]=4 563 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [1,0,0,0,0,0|3,0,0]=4 564 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [1,0,0,0,0,0|3,0,0]=4 565 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,0,0,0,0,0|3,0,0]=4 566 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [1,0,0,0,0,0|3,0,0]=4 567 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [1,0,0,0,0,0|3,0,0]=4 568 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [1,0,0,0,0,0|3,0,0]=4 569 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [1,0,0,0,0,0|3,0,0]=4 570 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [1,0,0,0,0,0|3,0,0]=4 571 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [1,0,0,0,0,0|3,0,0]=4 572 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [1,0,0,0,0,0|3,0,0]=4 573 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [1,0,0,0,0,0|3,0,0]=4 574 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [1,0,0,0,0,0|3,0,0]=4 575 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [1,0,0,0,0,0|3,0,0]=4 576 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [1,0,0,0,0,0|3,0,0]=4 577 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [1,0,0,0,0,0|3,0,0]=4 578 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,0,0,0,0,0|3,0,0]=4 579 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [1,0,0,0,0,0|2,0,0]=3 580 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [1,0,0,0,0,0|2,0,0]=3 581 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [1,0,0,0,0,0|2,0,0]=3 582 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [1,0,0,0,0,0|2,0,0]=3 583 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,0,0,0,0,0|2,0,0]=3 584 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,0,0,0,0,0|2,0,0]=3 585 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,0,0,0,0,0|2,0,0]=3 586 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,0,0,0,0,0|2,0,0]=3 587 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,0,0,0,0,0|2,0,0]=3 588 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,0,0,0,0,0|2,0,0]=3 589 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [1,0,0,0,0,0|2,0,0]=3 590 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,0,0,0,0,0|2,0,0]=3 591 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [1,0,0,0,0,0|2,0,0]=3 593 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,0,0,0,0,0|2,0,0]=3 594 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,0,0,0,0,0|2,0,0]=3 596 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [1,0,0,0,0,0|2,0,0]=3 597 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [1,0,0,0,0,0|2,0,0]=3 599 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [1,0,0,0,0,0|2,0,0]=3 600 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,0,0,0,0,0|2,0,0]=3 601 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,0,0,0,0,0|2,0,0]=3 602 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,0,0,0,0,0|2,0,0]=3 603 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,0,0,0,0,0|2,0,0]=3 604 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,0,0,0,0,0|2,0,0]=3 605 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,0,0,0,0,0|2,0,0]=3 606 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,0,0,0,0,0|2,0,0]=3 607 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,0,0,0,0,0|2,0,0]=3 608 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,0,0,0,0,0|2,0,0]=3 609 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,0,0,0,0,0|2,0,0]=3 610 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [1,0,0,0,0,0|2,0,0]=3 611 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [1,0,0,0,0,0|2,1,0]=4 612 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [1,0,0,0,0,0|2,1,0]=4 613 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [1,0,0,0,0,0|2,1,0]=4 614 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,0,0,0,0,0|2,1,0]=4 615 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,0,0,0,0,0|2,1,0]=4 616 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [1,0,0,0,0,0|3,0,0]=4 617 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [1,0,0,0,0,0|3,0,0]=4 618 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [1,0,0,0,0,0|3,0,0]=4 619 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [1,0,0,0,0,0|3,0,0]=4 620 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [1,0,0,0,0,0|3,0,0]=4 621 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [1,0,0,0,0,0|3,0,0]=4 622 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [1,0,0,0,0,0|3,0,0]=4 623 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [1,0,0,0,0,0|3,0,0]=4 624 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [1,0,0,0,0,0|3,0,0]=4 625 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [1,0,0,0,0,0|3,0,0]=4 626 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [1,0,0,0,0,0|3,0,0]=4 627 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [1,0,0,0,0,0|3,0,0]=4 628 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [1,0,0,0,0,0|3,0,0]=4 629 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [1,0,0,0,0,0|3,0,0]=4 630 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [1,0,0,0,0,0|3,0,0]=4 631 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [1,0,0,0,0,0|3,0,0]=4 632 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,0,0,0,0,0|3,0,0]=4 633 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,0,0,0,0,0|3,0,0]=4 634 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,0,0,0,0,0|3,0,0]=4 635 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [1,0,0,0,0,0|3,0,0]=4 636 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [1,0,0,0,0,0|3,0,0]=4 637 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [1,0,0,0,0,0|3,0,0]=4 638 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [1,0,0,0,0,0|3,0,0]=4 639 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [1,0,0,0,0,0|3,0,0]=4 640 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [1,0,0,0,0,0|3,0,0]=4 641 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [1,0,0,0,0,0|3,0,0]=4 642 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,1,0,0,0,0|1,0,0]=2 643 B12R1.57 CCc1c(cnc(n1)C)C(=O)O TS43070 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.57 CNc1cc(ccc1[N+](=O)[O-])Br TS87047 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.57 CNc1cc(ccc1[N+](=O)[O-])Cl TS15728 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.57 COc1cc(ccc1C(=O)O)Br TS59606 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.57 COc1cc(ccc1C(=O)O)Cl TS01848 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.57 COc1cc(ccc1C(=O)O)F TS59614 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.57 COc1cc(ccc1C(=O)O)N TS01091 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl TS03256 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F TS03304 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.57 Cc1ccc(c(c1)CBr)[N+](=O)[O-] TS94334 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.57 Cc1ccc(c(c1)CCl)[N+](=O)[O-] TS15511 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.57 Cc1ccc(c(c1)CO)[N+](=O)[O-] TS43215 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.57 Cc1ccc(c(c1)OC)C(=O)O TS71229 [0,1,0,0,0,0|1,0,0]=2 656 B12R1.57 Cc1ccc(c(c1)OC)C(C)C TS42786 [0,1,0,0,0,0|1,0,1]=3 657 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] TS08709 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.57 Cc1ccc(c(n1)OC)[N+](=O)[O-] TS12489 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.57 c1cc(c(cc1Cl)CO)[N+](=O)[O-] TS50618 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.57 c1cc(c(cc1O)CO)[N+](=O)[O-] TS12644 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.126 CS(=O)(=O)c1ccc(cc1Cl)N TS20057 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.126 CS(=O)(=O)c1ccc(cc1F)F TS17443 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.126 Cc1cc(ccc1S(=O)(=O)C)F TS15964 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.126 Cc1cc(ccc1S(=O)(=O)Cl)Br TS30714 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.126 Cc1cc(ccc1S(=O)(=O)Cl)F TS65135 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)Br TS60388 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)F TS50897 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.126 Cc1cc(ccc1S(=O)(=O)O)N TS50556 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.126 Cc1ccc(c(c1)Br)S(=O)(=O)Cl TS30716 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)Cl TS22991 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)O TS48909 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)[O-] TS20522 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.126 Cc1ccc(c(c1)Cl)S(=O)(=O)Cl TS23963 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.126 Cc1ccc(c(c1)F)S(=O)(=O)Cl TS65049 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.126 Cc1ccc(c(c1)O)C(C)(C)C TS42793 [0,1,0,0,0,0|2,0,1]=4 676 B12R1.232 B(c1cc(c(cc1C)C)C)(O)O TS42655 [0,1,0,0,0,0|2,0,1]=4 677 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F TS39128 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F TS17188 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.232 CC(=O)c1cc(c(cc1F)F)F TS65321 [0,1,0,0,0,0|2,0,0]=3 680 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C TS11889 [0,1,0,0,0,0|2,0,1]=4 681 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O TS00007 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F TS02220 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.232 Cc1cc(c(cc1C(=O)O)I)C TS31072 [0,1,0,0,0,0|1,0,0]=2 684 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,1,0,0,0,0|0,0,0]=1 685 B12R1.232 Cc1cc(c(cc1C)C(=O)O)C TS11857 [0,1,0,0,0,0|1,0,0]=2 686 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,1,0,0,0,0|1,0,0]=2 687 B12R1.232 Cc1cc(c(cc1C)[N+](=O)[O-])C TS12020 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.232 Cc1cc(c(cc1C)[N+](=O)[O-])N TS12212 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,1,0,0,0,0|1,0,0]=2 690 B12R1.232 Cc1cc(c(cc1Cl)C(C)C)O TS48690 [0,1,0,0,0,0|2,0,1]=4 691 B12R1.232 Cc1cc(c(cc1Cl)C)[N+](=O)[O-] TS15521 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.232 Cc1cc(c(cc1Cl)[N+](=O)[O-])O TS50614 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.232 Cc1cc(c(cc1F)C(=O)Cl)F TS17187 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F TS02134 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O TS02127 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.232 Cc1cc(c(cc1F)[N+](=O)[O-])F TS02109 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS12068 [0,1,0,0,0,0|2,0,1]=4 700 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS38182 [0,1,0,0,0,0|2,0,1]=4 701 B12R1.232 Cc1cc(c(cc1N)[N+](=O)[O-])C TS32891 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.232 Cc1cc(c(cc1N)[N+](=O)[O-])N TS12379 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.232 Cc1cc(c(cc1O)C(=O)O)Cl TS32912 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.232 Cc1cc(c(cc1O)C(C)C)Br TS24683 [0,1,0,0,0,0|2,0,1]=4 705 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,1,0,0,0,0|1,0,0]=2 706 B12R1.232 Cc1cc(c(cc1O)[N+](=O)[O-])F TS45273 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Br)C TS24823 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Br)F TS39473 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])C)N TS43059 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Cl)C TS48794 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Cl)Cl TS46783 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])F)F TS45588 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])I)C TS31195 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.232 c1c(c(cc(c1Br)Br)F)C(=O)O TS55992 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O TS65026 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS25324 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS28135 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.232 c1c(c(cc(c1Cl)Br)Cl)C(=O)O TS16759 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O TS09827 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)Cl TS74182 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O TS60382 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl TS24412 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N TS20479 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl TS43929 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O TS16836 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)Cl TS43931 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O TS00873 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl TS17960 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)N TS45907 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O TS00582 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] TS53952 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O TS34691 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O TS02906 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.232 c1c(c(cc(c1F)N)F)C(=O)O TS65116 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.232 c1c(c(cc(c1O)O)O)C(=O)O TS12755 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.452 B(c1ccc(cc1C)OC)(O)O TS32643 [0,1,0,0,0,0|2,0,1]=4 744 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,1,0,0,0,0|1,0,0]=2 745 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,1,0,0,0,0|1,0,0]=2 746 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,1,0,0,0,0|1,0,0]=2 747 B12R1.452 CC(C)c1ccc(cc1F)OC TS86089 [0,1,0,0,0,0|2,0,1]=4 748 B12R1.452 COc1cc(c(cn1)C(=O)O)N TS89711 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.452 COc1ccc(c(c1)Br)C(=O)O TS53110 [0,1,0,0,0,0|2,0,0]=3 750 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O TS00891 [0,1,0,0,0,0|2,0,0]=3 751 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl TS55336 [0,1,0,0,0,0|2,0,0]=3 752 B12R1.452 COc1ccc(c(c1)F)C(=O)O TS09296 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] TS02761 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] TS54202 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.452 COc1ccc(c(c1)N)C(=O)N TS08947 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] TS03354 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [0,1,0,0,0,0|2,0,0]=3 760 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] TS03353 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O TS46395 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.452 Cc1c(ccc(n1)OC)[N+](=O)[O-] TS01256 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])C#N TS09754 [0,1,0,0,0,0|2,0,1]=4 764 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])C=O TS60020 [0,1,0,0,0,0|2,0,1]=4 765 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])CN TS65098 [0,1,0,0,0,0|2,0,0]=3 766 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])CO TS12366 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC TS39450 [0,1,0,0,0,0|2,0,0]=3 768 B12R1.452 Cc1cc(ncc1[N+](=O)[O-])OC TS12498 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O TS71088 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.452 c1cc(c(cc1CBr)F)[N+](=O)[O-] TS53548 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.452 c1cc(c(cc1CBr)I)[N+](=O)[O-] TS78567 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl TS50370 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.893 CC(=O)c1ccc(c(c1F)F)F TS65297 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C TS65115 [0,1,0,0,0,0|2,0,0]=3 776 B12R1.893 Cc1c(c(ccc1[N+](=O)[O-])F)C TS02343 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.893 Cc1c(c(ccc1[N+](=O)[O-])O)C TS43221 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F TS17189 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F TS09230 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O TS60318 [0,1,0,0,0,0|2,0,0]=3 781 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.893 Cc1ccc(c(c1Br)N)C(=O)O TS22757 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.893 Cc1ccc(c(c1C)F)[N+](=O)[O-] TS12659 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.893 Cc1ccc(c(c1C)I)C(=O)O TS31075 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.893 Cc1ccc(c(c1C)N)[N+](=O)[O-] TS12226 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.893 Cc1ccc(c(c1F)C)C(=O)O TS44852 [0,1,0,0,0,0|1,0,0]=2 788 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,1,0,0,0,0|1,0,0]=2 789 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl TS17191 [0,1,0,0,0,0|2,0,0]=3 790 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N TS12968 [0,1,0,0,0,0|2,0,0]=3 791 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O TS45420 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.893 Cc1ccc(c(c1I)N)C(=O)O TS47367 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.893 Cc1ccc(c(c1O)Cl)[N+](=O)[O-] TS02168 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F TS09345 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F TS17958 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F TS45908 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F TS65373 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F TS02327 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F TS09343 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br TS02331 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F TS00534 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I TS34692 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N TS39461 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O TS02333 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F TS09229 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O TS12754 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F TS53951 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.1000 B(c1c(cc(cc1C)C)C)(O)O TS16358 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F TS47328 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS08799 [0,1,0,0,0,0|2,0,0]=3 813 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS44822 [0,1,0,0,0,0|2,0,0]=3 814 B12R1.1000 CC1=CC(=O)C(C(=O)O1)C(=O)C TS44824 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.1000 Cc1cc(=O)[nH]c(=O)n1C(=O)C TS12496 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.1000 Cc1cc(=O)oc(c1C(=O)O)C TS44812 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.1000 Cc1cc(c(c(=O)o1)C(=O)C)[O-] TS17015 [0,1,0,0,0,0|2,0,0]=3 818 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C TS11596 [0,1,0,0,0,0|0,0,0]=1 819 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C TS07909 [0,1,0,0,0,0|1,0,0]=2 820 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)N)C TS42595 [0,1,0,0,0,0|1,0,0]=2 821 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C TS07908 [0,1,0,0,0,0|1,0,0]=2 822 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C TS11743 [0,1,0,0,0,0|2,0,0]=3 823 B12R1.1000 Cc1cc(c(c(c1)C)[N+](=O)[O-])C TS12014 [0,1,0,0,0,0|2,0,0]=3 824 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)O TS44819 [0,1,0,0,0,0|2,0,0]=3 826 B12R1.1000 Cc1cc(c(c(c1)O)[N+](=O)[O-])O TS12641 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)O)O TS12652 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.1000 Cc1cc(cc(c1C(=O)Cl)C)F TS48994 [0,1,0,0,0,0|2,0,0]=3 829 B12R1.1000 Cc1cc(cc(c1C(=O)N)Cl)Cl TS19673 [0,1,0,0,0,0|2,0,0]=3 830 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F TS09254 [0,1,0,0,0,0|2,0,0]=3 831 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)O TS09130 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O TS12486 [0,1,0,0,0,0|2,0,0]=3 833 B12R1.1000 Cc1cc(cc(c1N(C)C)C)Br TS52605 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.1000 Cc1cc(cc(c1[N+](=O)[O-])C)N TS12238 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.1000 Cc1cc(nc(c1C(=O)C)C)C TS11730 [0,1,0,0,0,0|1,0,0]=2 836 B12R1.1000 Cc1cc(nc(c1C(=O)N)Cl)C TS48675 [0,1,0,0,0,0|2,0,0]=3 837 B12R1.1000 Cc1cc(nc(c1C(=O)N)Cl)Cl TS40033 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.1000 Cc1cc(nc(c1C(=O)N)N)C TS12039 [0,1,0,0,0,0|2,0,0]=3 839 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)C TS15510 [0,1,0,0,0,0|2,0,0]=3 840 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)Cl TS86933 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.1000 Cc1cc(nc(c1C(=O)O)N)C TS43073 [0,1,0,0,0,0|2,0,0]=3 842 B12R1.1000 c1c(cc(c(c1Br)C(=O)O)Br)Br TS66331 [0,1,0,0,0,0|3,0,0]=4 843 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl TS00593 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl TS00592 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F TS17963 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)F TS45903 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br TS01845 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F TS00596 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O TS65360 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl TS38922 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F TS32777 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.1703 CC(=NO)c1ccc(cc1Cl)Cl TS19674 [0,1,0,0,0,0|2,0,1]=4 853 B12R1.1703 CC(=NO)c1ccc(cc1O)O TS12367 [0,1,0,0,0,0|2,0,1]=4 854 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,1,0,0,0,0|0,0,0]=1 855 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,1,0,0,0,0|2,0,0]=3 856 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [0,1,0,0,0,0|2,0,0]=3 857 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,1,0,0,0,0|2,0,0]=3 858 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,1,0,0,0,0|2,0,0]=3 859 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N TS91343 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [0,1,0,0,0,0|2,0,0]=3 866 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [0,1,0,0,0,0|2,0,0]=3 867 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [0,1,0,0,0,0|2,0,0]=3 868 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [0,1,0,0,0,0|2,0,0]=3 869 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.1703 COC(=O)c1ccc(nc1N)Cl TS90534 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl TS08587 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [0,1,0,0,0,0|1,0,0]=2 878 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [0,1,0,0,0,0|1,0,0]=2 879 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,1,0,0,0,0|1,0,0]=2 881 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,1,0,0,0,0|0,0,0]=1 882 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,1,0,0,0,0|0,0,0]=1 883 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,1,0,0,0,0|1,0,0]=2 884 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [0,1,0,0,0,0|2,0,0]=3 885 B12R1.1703 c1cc(c(cc1Br)Br)C(=O)CBr TS79366 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.1703 c1cc(c(cc1Br)Cl)C(=O)NN TS27949 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr TS30478 [0,1,0,0,0,0|2,0,0]=3 888 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl TS50371 [0,1,0,0,0,0|2,0,0]=3 889 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,1,0,0,0,0|2,0,0]=3 890 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,1,0,0,0,0|2,0,0]=3 891 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CO TS19898 [0,1,0,0,0,0|2,0,0]=3 892 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.1703 c1cc(c(cc1Cl)O)C(=O)NO TS50612 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O TS47217 [0,1,0,0,0,0|2,0,1]=4 895 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr TS25674 [0,1,0,0,0,0|2,0,0]=3 896 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl TS65390 [0,1,0,0,0,0|2,0,0]=3 897 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,1,0,0,0,0|2,0,0]=3 899 B12R1.1703 c1cc(c(cc1F)F)C(=O)CO TS45419 [0,1,0,0,0,0|2,0,0]=3 900 B12R1.1703 c1cc(c(cc1F)F)C(=O)NN TS45422 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN TS44835 [0,1,0,0,0,0|3,0,0]=4 903 B10R0.17 CCOC=C(C(=O)C)C(=O)C TS10682 [0,0,1,0,0,0|2,0,1]=4 904 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,0,0,1,0,0|2,0,1]=4 905 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br TS87005 [0,0,0,1,0,0|3,0,0]=4 906 B12R2.612 Cc1c2ccc(cc2[nH]n1)I TS85999 [0,0,0,1,0,0|3,0,0]=4 907 B12R2.612 Cc1c2ccc(cc2[nH]n1)N TS88598 [0,0,0,1,0,0|3,0,0]=4 908 B12R2.612 Cc1c2ccc(cc2[nH]n1)O TS55602 [0,0,0,1,0,0|3,0,0]=4 909 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,0,0,1,0,0|3,0,0]=4 910 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,0,0,1,0,0|3,0,0]=4 911 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,0,0,1,0,0|3,0,0]=4 912 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,0,0,1,0,0|0,0,0]=1 913 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,0,0,1,0,0|1,0,0]=2 914 B12R2.612 Cc1ccc2c(c1)[nH]nc2Br TS21070 [0,0,0,1,0,0|3,0,0]=4 915 B12R2.612 Cc1ccc2c(c1)[nH]nc2Cl TS12320 [0,0,0,1,0,0|3,0,0]=4 916 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [0,0,0,1,0,0|2,0,1]=4 917 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,0,0,1,0,0|2,0,0]=3 918 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,0,0,1,0,0|3,0,0]=4 919 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,0,0,1,0,0|1,0,0]=2 920 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,0,0,1,0,0|2,0,0]=3 921 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,0,0,1,0,0|2,0,0]=3 922 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,0,0,1,0,0|2,0,0]=3 923 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,0,0,1,0,0|1,0,0]=2 924 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,0,0,1,0,0|2,0,0]=3 925 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,0,0,1,0,0|2,0,0]=3 926 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,0,0,1,0,0|2,0,0]=3 927 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,0,0,1,0,0|1,0,0]=2 928 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,0,0,1,0,0|2,0,0]=3 929 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,0,0,1,0,0|2,0,0]=3 930 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,0,0,1,0,0|1,0,0]=2 931 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,0,0,1,0,0|2,0,0]=3 932 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,0,0,1,0,0|1,0,0]=2 933 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,0,0,1,0,0|2,0,0]=3 934 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,0,0,1,0,0|2,0,0]=3 935 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,0,0,1,0,0|1,0,0]=2 936 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,0,0,1,0,0|2,0,0]=3 937 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,0,0,1,0,0|2,0,0]=3 938 B10R1.59 CC(=O)c1cc(sc1Cl)Cl TS51956 [0,0,0,0,1,0|3,0,0]=4 939 B10R1.59 CC1=CC(=O)N(C1)C(=O)C TS06361 [0,0,0,0,1,0|2,0,1]=4 940 B10R1.59 Cc1c(nc(o1)C)C(=O)C TS08136 [0,0,0,0,1,0|2,0,0]=3 941 B10R1.59 Cc1c(nc(o1)C)C(=O)Cl TS11181 [0,0,0,0,1,0|3,0,0]=4 942 B10R1.59 Cc1c(nc(o1)C)C(=O)O TS06568 [0,0,0,0,1,0|3,0,0]=4 943 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,0,0,0,1,0|2,0,0]=3 944 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [0,0,0,0,1,0|3,0,0]=4 945 B10R1.59 Cc1c(sc(n1)C)C(=O)C TS10596 [0,0,0,0,1,0|2,0,0]=3 946 B10R1.59 Cc1c(sc(n1)C)C(=O)N TS10709 [0,0,0,0,1,0|3,0,0]=4 947 B10R1.59 Cc1c(sc(n1)C)C(=O)O TS00649 [0,0,0,0,1,0|3,0,0]=4 948 B10R1.59 Cc1c(sc(n1)N)C(=O)C TS47409 [0,0,0,0,1,0|3,0,0]=4 949 B10R1.59 Cc1cc([nH]c1C(=O)C)C TS37113 [0,0,0,0,1,0|1,0,0]=2 950 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,0,0,0,1,0|2,0,0]=3 951 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,0,0,0,1,0|2,0,0]=3 952 B10R1.59 Cc1cc(c(o1)C)C(=O)C TS06252 [0,0,0,0,1,0|1,0,0]=2 953 B10R1.59 Cc1cc(c(o1)C)C(=O)Cl TS11083 [0,0,0,0,1,0|2,0,0]=3 954 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,0,0,0,1,0|2,0,0]=3 955 B10R1.59 Cc1cc(c(s1)C)C(=O)C TS10466 [0,0,0,0,1,0|1,0,0]=2 956 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,0,0,0,1,0|2,0,0]=3 957 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,0,0,0,1,0|3,0,0]=4 958 B10R1.59 Cc1cc(c(s1)N)C(=O)N TS10700 [0,0,0,0,1,0|3,0,0]=4 959 B10R1.59 Cc1cc(n(n1)C(=O)N)C TS37284 [0,0,0,0,1,0|3,0,0]=4 960 B10R1.59 Cc1cc(n(n1)C)C(=O)C TS37182 [0,0,0,0,1,0|2,0,0]=3 961 B10R1.59 Cc1cc(n(n1)C)C(=O)Cl TS11087 [0,0,0,0,1,0|3,0,0]=4 962 B10R1.59 Cc1cc(n(n1)C)C(=O)N TS06381 [0,0,0,0,1,0|3,0,0]=4 963 B10R1.59 Cc1cc(n(n1)C)C(=O)O TS00371 [0,0,0,0,1,0|3,0,0]=4 964 B10R1.194 Cc1c(c[nH]c1Br)C(=O)C TS38192 [0,0,0,0,1,0|2,0,0]=3 965 B10R1.194 Cc1c(csc1C(=O)Cl)Br TS26407 [0,0,0,0,1,0|3,0,0]=4 966 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,0,0,0,1,0|3,0,0]=4 967 B10R1.194 Cc1c(onc1C(=O)O)C TS06567 [0,0,0,0,1,0|3,0,0]=4 968 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,0,0,0,1,0|2,0,0]=3 969 B10R1.194 Cc1ccc(n1C)C(=N)N TS06197 [0,0,0,0,1,0|3,0,0]=4 970 B10R1.194 Cc1csc(c1Cl)C(=O)Cl TS51955 [0,0,0,0,1,0|3,0,0]=4 971 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,0,0,0,0,1|2,0,0]=3 972 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,0,0,0,0,1|2,0,0]=3 973 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,0,0,0,0,1|2,0,0]=3 974 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,0,0,0,0,1|2,0,0]=3 975 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,0,0,0,0,1|2,0,0]=3 976 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,0,0,0,0,1|2,0,0]=3 977 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,0,0,0,0,1|2,0,0]=3 978 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,0,0,0,0,1|2,0,0]=3 979 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,0,0,0,0,1|2,0,0]=3 980 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,0,0,0,0,1|2,0,0]=3 981 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,0,0,0,0,1|2,0,0]=3 982 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,0,0,0,0,1|2,0,0]=3 983 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,0,0,0,0,1|2,0,0]=3 984 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,0,0,0,0,1|2,0,0]=3 985 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,0,0,0,0,1|1,0,0]=2 986 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,0,0,0,0,1|1,0,0]=2 987 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,0,0,0,0,1|1,0,0]=2 988 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,0,0,0,0,1|1,0,0]=2 989 B12R1.233 Cc1cc(ccc1NC(=S)N)Cl TS38027 [0,0,0,0,0,1|2,1,0]=4 990 B12R1.233 Cc1cc(ncc1NC(=O)C)Cl TS15393 [0,0,0,0,0,1|2,0,0]=3 991 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,0,0,0,0,1|1,0,0]=2 992 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,0,0,0,0,1|1,0,0]=2 993 B12R1.233 Cc1ccc(c(c1)C)NC(=S)N TS14656 [0,0,0,0,0,1|1,1,0]=3 994 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,0,0,0,0,1|1,0,0]=2 995 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,0,0,0,0,1|3,0,0]=4 996 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,0,0,0,0,1|3,0,0]=4 997 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,0,0,0,0,1|3,0,0]=4 998 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,0,0,0,0,1|3,0,0]=4 999 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,0,0,0,0,1|3,0,0]=4 1000 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,0,0,0,0,1|3,0,0]=4 1001 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,0,0,0,0,1|3,0,0]=4 1002 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,0,0,0,0,1|3,0,0]=4 1003 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,0,0,0,0,1|3,0,0]=4 1004 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,0,0,0,0,1|3,0,0]=4 1005 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,0,0,0,0,1|3,0,0]=4 1006 B9R0.2 CC=CC=CCOC(=O)C TS37384 [1,0,1,0,0,0|1,0,1]=4 1007 B9R0.53 CC(=C)CC(=CC(=C)C)C TS06118 [1,0,1,0,0,0|1,0,1]=4 1008 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|1,0,1]=4 1009 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|1,0,1]=4 1010 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|1,0,1]=4 1011 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|1,0,1]=4 1012 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,1]=4 1013 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|1,0,1]=4 1014 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|1,0,1]=4 1015 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|1,0,1]=4 1016 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|1,0,1]=4 1017 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|1,0,1]=4 1018 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,1]=4 1019 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|1,0,1]=4 1020 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|1,0,1]=4 1021 B9R1.1 CCc1ccc(nc1)C TS32477 [2,0,0,0,0,0|1,0,1]=4 1022 B9R1.1 CNc1ccc(cc1)Br TS48830 [2,0,0,0,0,0|2,0,0]=4 1023 B9R1.1 CNc1ccc(cc1)Cl TS37534 [2,0,0,0,0,0|2,0,0]=4 1024 B9R1.1 CNc1ccc(cc1)F TS36055 [2,0,0,0,0,0|2,0,0]=4 1025 B9R1.1 CNc1ccc(cc1)I TS32640 [2,0,0,0,0,0|2,0,0]=4 1026 B9R1.1 CNc1ccc(cc1)N TS04921 [2,0,0,0,0,0|2,0,0]=4 1027 B9R1.1 CNc1ccc(cc1)N TS17998 [2,0,0,0,0,0|2,0,0]=4 1028 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|2,0,0]=4 1029 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|2,0,0]=4 1030 B9R1.1 COc1ccc(cc1)Cl TS37682 [2,0,0,0,0,0|2,0,0]=4 1031 B9R1.1 COc1ccc(cc1)F TS32969 [2,0,0,0,0,0|2,0,0]=4 1032 B9R1.1 COc1ccc(cc1)I TS59516 [2,0,0,0,0,0|2,0,0]=4 1033 B9R1.1 COc1ccc(cc1)N TS01634 [2,0,0,0,0,0|2,0,0]=4 1034 B9R1.1 COc1ccc(cc1)N TS11193 [2,0,0,0,0,0|2,0,0]=4 1035 B9R1.1 COc1ccc(cc1)N TS93025 [2,0,0,0,0,0|2,0,0]=4 1036 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|2,0,0]=4 1037 B9R1.1 COc1ccc(cc1)S TS06486 [2,0,0,0,0,0|2,0,0]=4 1038 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [2,0,0,0,0,0|2,0,0]=4 1039 B9R1.1 CSc1ccc(cc1)Br TS09618 [2,0,0,0,0,0|2,0,0]=4 1040 B9R1.1 CSc1ccc(cc1)Cl TS42001 [2,0,0,0,0,0|2,0,0]=4 1041 B9R1.1 CSc1ccc(cc1)F TS06687 [2,0,0,0,0,0|2,0,0]=4 1042 B9R1.1 CSc1ccc(cc1)I TS27986 [2,0,0,0,0,0|2,0,0]=4 1043 B9R1.1 CSc1ccc(cc1)N TS06394 [2,0,0,0,0,0|2,0,0]=4 1044 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|2,0,0]=4 1045 B9R1.1 CSc1ccc(cc1)S TS41710 [2,0,0,0,0,0|2,0,0]=4 1046 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [2,0,0,0,0,0|2,0,0]=4 1047 B9R1.1 Cc1ccc(cc1)C#C TS32874 [2,0,0,0,0,0|0,0,2]=4 1048 B9R1.1 Cc1ccc(cc1)C#N TS04679 [2,0,0,0,0,0|1,0,1]=4 1049 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|0,0,1]=3 1050 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|0,0,0]=2 1051 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|1,0,1]=4 1052 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|1,0,1]=4 1053 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|1,0,1]=4 1054 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|0,0,2]=4 1055 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|0,1,1]=4 1056 B9R1.1 Cc1ccc(cc1)NC TS32470 [2,0,0,0,0,0|1,0,0]=3 1057 B9R1.1 Cc1ccc(cc1)NN TS01655 [2,0,0,0,0,0|2,0,0]=4 1058 B9R1.1 Cc1ccc(cc1)NN TS23082 [2,0,0,0,0,0|2,0,0]=4 1059 B9R1.1 Cc1ccc(cc1)OC TS04894 [2,0,0,0,0,0|1,0,0]=3 1060 B9R1.1 Cc1ccc(cc1)SC TS71244 [2,0,0,0,0,0|1,0,0]=3 1061 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [2,0,0,0,0,0|2,0,0]=4 1062 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [2,0,0,0,0,0|2,0,0]=4 1063 B9R1.1 Cc1ccc(cn1)C=C TS55464 [2,0,0,0,0,0|1,0,1]=4 1064 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|1,0,0]=3 1065 B9R1.1 Cc1ccc(cn1)OC TS04979 [2,0,0,0,0,0|2,0,0]=4 1066 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|1,0,0]=3 1067 B9R1.1 Cc1cnc(cn1)C=O TS88939 [2,0,0,0,0,0|2,0,0]=4 1068 B9R1.1 Cc1cnc(nc1)C=O TS90871 [2,0,0,0,0,0|2,0,0]=4 1069 B9R1.1 Cc1ncc(cn1)C=O TS08763 [2,0,0,0,0,0|2,0,0]=4 1070 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 1071 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 1072 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 1073 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 1074 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 1075 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 1076 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|1,0,0]=3 1077 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|1,0,0]=3 1078 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|2,0,0]=4 1079 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 1080 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 1081 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 1082 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 1083 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 1084 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|2,0,0]=4 1085 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 1086 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 1087 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|2,0,0]=4 1088 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|2,0,0]=4 1089 B9R1.6 C=C(c1ccccc1)Br TS48375 [2,0,0,0,0,0|1,0,1]=4 1090 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [2,0,0,0,0,0|1,0,1]=4 1091 B9R1.6 CC(=C)c1ccccc1 TS32349 [2,0,0,0,0,0|1,0,0]=3 1092 B9R1.6 CC(=O)c1ccccc1 TS32455 [2,0,0,0,0,0|0,0,0]=2 1093 B9R1.6 CC(=O)c1ccccc1 TS32456 [2,0,0,0,0,0|0,0,0]=2 1094 B9R1.6 CC(=O)c1ccccc1 TS38236 [2,0,0,0,0,0|0,0,0]=2 1095 B9R1.6 CC(=O)c1ccccc1 TS55713 [2,0,0,0,0,0|0,0,0]=2 1096 B9R1.6 CC(=O)c1ccccn1 TS04861 [2,0,0,0,0,0|1,0,0]=3 1097 B9R1.6 CC(=O)c1cccnc1 TS65831 [2,0,0,0,0,0|1,0,0]=3 1098 B9R1.6 CC(=O)c1cccnn1 TS87133 [2,0,0,0,0,0|2,0,0]=4 1099 B9R1.6 CC(=O)c1ccncc1 TS02952 [2,0,0,0,0,0|1,0,0]=3 1100 B9R1.6 CC(=O)c1ccncn1 TS87400 [2,0,0,0,0,0|2,0,0]=4 1101 B9R1.6 CC(=O)c1ccnnc1 TS89714 [2,0,0,0,0,0|2,0,0]=4 1102 B9R1.6 CC(=O)c1cnccn1 TS55718 [2,0,0,0,0,0|2,0,0]=4 1103 B9R1.6 CC(=O)c1cncnc1 TS46735 [2,0,0,0,0,0|2,0,0]=4 1104 B9R1.6 CC(=O)c1ncccn1 TS91588 [2,0,0,0,0,0|2,0,0]=4 1105 B9R1.6 CC(c1ccccc1)Cl TS37453 [2,0,0,0,0,0|1,0,1]=4 1106 B9R1.6 CC(c1ccccc1)N TS55879 [2,0,0,0,0,0|1,0,1]=4 1107 B9R1.6 CC(c1ccccc1)O TS04908 [2,0,0,0,0,0|0,0,2]=4 1108 B9R1.6 CN(C)c1ccccc1 TS56353 [2,0,0,0,0,0|2,0,0]=4 1109 B9R1.6 CN(c1ccccc1)N TS46980 [2,0,0,0,0,0|2,0,0]=4 1110 B9R1.6 CP(C)c1ccccc1 TS37178 [2,0,0,0,0,0|2,0,0]=4 1111 B9R1.6 CP(C)c1ccccc1 TS75399 [2,0,0,0,0,0|2,0,0]=4 1112 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [2,0,0,0,0,0|1,0,1]=4 1113 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [2,0,0,0,0,0|0,0,2]=4 1114 B9R1.6 C[C@H](c1ccccc1)N TS00310 [2,0,0,0,0,0|1,0,1]=4 1115 B9R1.6 C[C@H](c1ccccc1)N TS29339 [2,0,0,0,0,0|1,0,1]=4 1116 B9R1.6 C[C@H](c1ccccc1)O TS04906 [2,0,0,0,0,0|0,0,2]=4 1117 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [2,0,0,0,0,0|1,1,0]=4 1118 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [2,0,0,0,0,0|2,0,0]=4 1119 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [2,0,0,0,0,0|2,0,0]=4 1120 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [2,0,0,0,0,0|2,0,0]=4 1121 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [2,0,0,0,0,0|2,0,0]=4 1122 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [2,0,0,0,0,0|2,0,0]=4 1123 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [2,0,0,0,0,0|2,0,0]=4 1124 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [2,0,0,0,0,0|2,0,0]=4 1125 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [2,0,0,0,0,0|2,0,0]=4 1126 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [2,0,0,0,0,0|2,0,0]=4 1127 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [2,0,0,0,0,0|2,0,0]=4 1128 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [2,0,0,0,0,0|2,0,0]=4 1129 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [2,0,0,0,0,0|2,0,0]=4 1130 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [2,0,0,0,0,0|1,0,0]=3 1131 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [2,0,0,0,0,0|1,0,0]=3 1132 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [2,0,0,0,0,0|1,0,0]=3 1133 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [2,0,0,0,0,0|1,0,0]=3 1134 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [2,0,0,0,0,0|1,0,0]=3 1135 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [2,0,0,0,0,0|1,0,0]=3 1136 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [2,0,0,0,0,0|1,0,0]=3 1137 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [2,0,0,0,0,0|1,0,0]=3 1138 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [2,0,0,0,0,0|1,0,0]=3 1139 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [2,0,0,0,0,0|1,0,0]=3 1140 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [2,0,0,0,0,0|1,0,0]=3 1141 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [2,0,0,0,0,0|1,0,0]=3 1142 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [2,0,0,0,0,0|1,0,0]=3 1143 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [2,0,0,0,0,0|1,0,0]=3 1144 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [2,0,0,0,0,0|1,1,0]=4 1145 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [2,0,0,0,0,0|1,0,1]=4 1146 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [2,0,0,0,0,0|2,0,0]=4 1147 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [2,0,0,0,0,0|2,0,0]=4 1148 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [2,0,0,0,0,0|2,0,0]=4 1149 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [2,0,0,0,0,0|2,0,0]=4 1150 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [2,0,0,0,0,0|2,0,0]=4 1151 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [2,0,0,0,0,0|2,0,0]=4 1152 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [2,0,0,0,0,0|2,0,0]=4 1153 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [2,0,0,0,0,0|2,0,0]=4 1154 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [2,0,0,0,0,0|2,0,0]=4 1155 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [2,0,0,0,0,0|2,0,0]=4 1156 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [2,0,0,0,0,0|2,0,0]=4 1157 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [2,0,0,0,0,0|2,0,0]=4 1158 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [2,0,0,0,0,0|2,0,0]=4 1159 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [2,0,0,0,0,0|2,0,0]=4 1160 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [2,0,0,0,0,0|2,0,0]=4 1161 B9R1.6 c1cnccc1C(=O)Cl TS46358 [2,0,0,0,0,0|2,0,0]=4 1162 B9R1.6 c1cnccc1C(=O)N TS74511 [2,0,0,0,0,0|2,0,0]=4 1163 B9R1.6 c1cnccc1C(=O)O TS01508 [2,0,0,0,0,0|2,0,0]=4 1164 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [2,0,0,0,0,0|2,0,0]=4 1165 B9R1.15 C=Cc1ccccc1Br TS55173 [2,0,0,0,0,0|1,0,1]=4 1166 B9R1.15 C=Cc1ccccc1Cl TS00968 [2,0,0,0,0,0|1,0,1]=4 1167 B9R1.15 C=Cc1ccccc1F TS32504 [2,0,0,0,0,0|1,0,1]=4 1168 B9R1.15 C=Cc1ccccc1I TS24807 [2,0,0,0,0,0|1,0,1]=4 1169 B9R1.15 CCc1ccccc1Br TS15420 [2,0,0,0,0,0|1,0,1]=4 1170 B9R1.15 CCc1ccccc1C TS16337 [2,0,0,0,0,0|0,0,1]=3 1171 B9R1.15 CCc1ccccc1Cl TS37450 [2,0,0,0,0,0|1,0,1]=4 1172 B9R1.15 CCc1ccccc1I TS25157 [2,0,0,0,0,0|1,0,1]=4 1173 B9R1.15 CCc1ccccc1N TS32474 [2,0,0,0,0,0|1,0,1]=4 1174 B9R1.15 CCc1ccccc1O TS04900 [2,0,0,0,0,0|1,0,1]=4 1175 B9R1.15 CCc1ccccc1S TS06304 [2,0,0,0,0,0|1,0,1]=4 1176 B9R1.15 CCc1cccnc1C TS32475 [2,0,0,0,0,0|1,0,1]=4 1177 B9R1.15 CCc1ccncc1C TS32464 [2,0,0,0,0,0|1,0,1]=4 1178 B9R1.15 CCc1cnccc1C TS32480 [2,0,0,0,0,0|1,0,1]=4 1179 B9R1.15 CNc1ccccc1Cl TS37531 [2,0,0,0,0,0|2,0,0]=4 1180 B9R1.15 CNc1ccccc1F TS56413 [2,0,0,0,0,0|2,0,0]=4 1181 B9R1.15 CNc1ccccc1N TS01587 [2,0,0,0,0,0|2,0,0]=4 1182 B9R1.15 CNc1ccccc1N TS41998 [2,0,0,0,0,0|2,0,0]=4 1183 B9R1.15 CNc1ccccc1N TS60152 [2,0,0,0,0,0|2,0,0]=4 1184 B9R1.15 CNc1ccccc1O TS04968 [2,0,0,0,0,0|2,0,0]=4 1185 B9R1.15 COc1ccccc1Br TS00023 [2,0,0,0,0,0|2,0,0]=4 1186 B9R1.15 COc1ccccc1Cl TS37688 [2,0,0,0,0,0|2,0,0]=4 1187 B9R1.15 COc1ccccc1F TS60288 [2,0,0,0,0,0|2,0,0]=4 1188 B9R1.15 COc1ccccc1I TS09308 [2,0,0,0,0,0|2,0,0]=4 1189 B9R1.15 COc1ccccc1N TS29238 [2,0,0,0,0,0|2,0,0]=4 1190 B9R1.15 COc1ccccc1N TS59329 [2,0,0,0,0,0|2,0,0]=4 1191 B9R1.15 COc1ccccc1P TS06425 [2,0,0,0,0,0|2,0,0]=4 1192 B9R1.15 COc1ccccc1S TS37393 [2,0,0,0,0,0|2,0,0]=4 1193 B9R1.15 COc1ccccc1[Zn+] TS74540 [2,0,0,0,0,0|2,0,0]=4 1194 B9R1.15 CSc1ccccc1Br TS19526 [2,0,0,0,0,0|2,0,0]=4 1195 B9R1.15 CSc1ccccc1Cl TS42002 [2,0,0,0,0,0|2,0,0]=4 1196 B9R1.15 CSc1ccccc1F TS06689 [2,0,0,0,0,0|2,0,0]=4 1197 B9R1.15 CSc1ccccc1I TS27990 [2,0,0,0,0,0|2,0,0]=4 1198 B9R1.15 CSc1ccccc1O TS37395 [2,0,0,0,0,0|2,0,0]=4 1199 B9R1.15 CSc1ccccc1[Zn+] TS76795 [2,0,0,0,0,0|2,0,0]=4 1200 B9R1.15 Cc1c(cccn1)C=O TS02436 [2,0,0,0,0,0|1,0,0]=3 1201 B9R1.15 Cc1c(cccn1)OC TS04964 [2,0,0,0,0,0|2,0,0]=4 1202 B9R1.15 Cc1c(nccn1)C=O TS86293 [2,0,0,0,0,0|2,0,0]=4 1203 B9R1.15 Cc1ccccc1C#C TS02442 [2,0,0,0,0,0|0,0,2]=4 1204 B9R1.15 Cc1ccccc1C#N TS04680 [2,0,0,0,0,0|1,0,1]=4 1205 B9R1.15 Cc1ccccc1C=C TS02453 [2,0,0,0,0,0|0,0,1]=3 1206 B9R1.15 Cc1ccccc1C=O TS04808 [2,0,0,0,0,0|0,0,0]=2 1207 B9R1.15 Cc1ccccc1CBr TS01133 [2,0,0,0,0,0|1,0,1]=4 1208 B9R1.15 Cc1ccccc1CCl TS37456 [2,0,0,0,0,0|1,0,1]=4 1209 B9R1.15 Cc1ccccc1CN TS04867 [2,0,0,0,0,0|1,0,1]=4 1210 B9R1.15 Cc1ccccc1CO TS04907 [2,0,0,0,0,0|0,0,2]=4 1211 B9R1.15 Cc1ccccc1CS TS06308 [2,0,0,0,0,0|0,1,1]=4 1212 B9R1.15 Cc1ccccc1NC TS32471 [2,0,0,0,0,0|1,0,0]=3 1213 B9R1.15 Cc1ccccc1NN TS60156 [2,0,0,0,0,0|2,0,0]=4 1214 B9R1.15 Cc1ccccc1OC TS32508 [2,0,0,0,0,0|1,0,0]=3 1215 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [2,0,0,0,0,0|2,0,0]=4 1216 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [2,0,0,0,0,0|2,0,0]=4 1217 B9R1.15 Cc1cccnc1C=O TS70677 [2,0,0,0,0,0|1,0,0]=3 1218 B9R1.15 Cc1cccnc1OC TS04965 [2,0,0,0,0,0|2,0,0]=4 1219 B9R1.15 Cc1ccncc1C=O TS32454 [2,0,0,0,0,0|1,0,0]=3 1220 B9R1.15 Cc1ccncc1NC TS04920 [2,0,0,0,0,0|2,0,0]=4 1221 B9R1.15 Cc1cnccc1C=O TS02833 [2,0,0,0,0,0|1,0,0]=3 1222 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [2,0,0,0,0,0|2,0,0]=4 1223 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [2,0,0,0,0,0|2,0,0]=4 1224 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [2,0,0,0,0,0|2,0,0]=4 1225 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [2,0,0,0,0,0|2,0,0]=4 1226 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [2,0,0,0,0,0|2,0,0]=4 1227 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [2,0,0,0,0,0|2,0,0]=4 1228 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [2,0,0,0,0,0|2,0,0]=4 1229 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [2,0,0,0,0,0|2,0,0]=4 1230 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [2,0,0,0,0,0|1,0,0]=3 1231 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [2,0,0,0,0,0|1,0,0]=3 1232 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [2,0,0,0,0,0|1,0,0]=3 1233 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [2,0,0,0,0,0|1,0,0]=3 1234 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [2,0,0,0,0,0|1,0,0]=3 1235 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [2,0,0,0,0,0|1,0,0]=3 1236 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [2,0,0,0,0,0|1,0,0]=3 1237 B9R1.15 c1cncc(c1Br)C=O TS09580 [2,0,0,0,0,0|2,0,0]=4 1238 B9R1.15 c1cncc(c1C=O)Br TS48819 [2,0,0,0,0,0|2,0,0]=4 1239 B9R1.15 c1cncc(c1C=O)Cl TS02716 [2,0,0,0,0,0|2,0,0]=4 1240 B9R1.15 c1cncc(c1C=O)F TS36047 [2,0,0,0,0,0|2,0,0]=4 1241 B9R1.15 c1cncc(c1C=O)N TS32500 [2,0,0,0,0,0|2,0,0]=4 1242 B9R1.15 c1cncc(c1C=O)O TS02800 [2,0,0,0,0,0|2,0,0]=4 1243 B9R1.15 c1cncc(c1Cl)C=O TS09675 [2,0,0,0,0,0|2,0,0]=4 1244 B9R1.15 c1cncc(c1F)C=O TS33163 [2,0,0,0,0,0|2,0,0]=4 1245 B9R1.15 c1cncc(c1N)C=O TS70883 [2,0,0,0,0,0|2,0,0]=4 1246 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [2,0,0,0,0,0|2,0,0]=4 1247 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [2,0,0,0,0,0|2,0,0]=4 1248 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [2,0,0,0,0,0|1,0,0]=3 1249 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [2,0,0,0,0,0|2,0,0]=4 1250 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [2,0,0,0,0,0|1,0,0]=3 1251 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [2,0,0,0,0,0|2,0,0]=4 1252 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [2,0,0,0,0,0|2,0,0]=4 1253 B9R1.69 Cc1cc(ccc1Br)F TS85460 [2,0,0,0,0,0|2,0,0]=4 1254 B9R1.69 Cc1cc(ccc1Br)I TS08348 [2,0,0,0,0,0|2,0,0]=4 1255 B9R1.69 Cc1cc(ccc1Br)N TS09584 [2,0,0,0,0,0|2,0,0]=4 1256 B9R1.69 Cc1cc(ccc1Br)O TS09587 [2,0,0,0,0,0|2,0,0]=4 1257 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [2,0,0,0,0,0|2,0,0]=4 1258 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [2,0,0,0,0,0|2,0,0]=4 1259 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [2,0,0,0,0,0|2,0,0]=4 1260 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [2,0,0,0,0,0|2,0,0]=4 1261 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [2,0,0,0,0,0|2,0,0]=4 1262 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [2,0,0,0,0,0|2,0,0]=4 1263 B9R1.69 Cc1cc(ccc1F)Br TS16784 [2,0,0,0,0,0|2,0,0]=4 1264 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [2,0,0,0,0,0|2,0,0]=4 1265 B9R1.69 Cc1cc(ccc1F)F TS22993 [2,0,0,0,0,0|2,0,0]=4 1266 B9R1.69 Cc1cc(ccc1F)I TS65051 [2,0,0,0,0,0|2,0,0]=4 1267 B9R1.69 Cc1cc(ccc1F)N TS36056 [2,0,0,0,0,0|2,0,0]=4 1268 B9R1.69 Cc1cc(ccc1F)O TS71121 [2,0,0,0,0,0|2,0,0]=4 1269 B9R1.69 Cc1cc(ccc1F)S TS06691 [2,0,0,0,0,0|2,0,0]=4 1270 B9R1.69 Cc1cc(ccc1I)Br TS59717 [2,0,0,0,0,0|2,0,0]=4 1271 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [2,0,0,0,0,0|2,0,0]=4 1272 B9R1.69 Cc1cc(ccc1I)F TS71539 [2,0,0,0,0,0|2,0,0]=4 1273 B9R1.69 Cc1cc(ccc1I)I TS78661 [2,0,0,0,0,0|2,0,0]=4 1274 B9R1.69 Cc1cc(ccc1N)Br TS23566 [2,0,0,0,0,0|2,0,0]=4 1275 B9R1.69 Cc1cc(ccc1N)Br TS93925 [2,0,0,0,0,0|2,0,0]=4 1276 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [2,0,0,0,0,0|2,0,0]=4 1277 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [2,0,0,0,0,0|2,0,0]=4 1278 B9R1.69 Cc1cc(ccc1N)I TS71186 [2,0,0,0,0,0|2,0,0]=4 1279 B9R1.69 Cc1cc(ccc1N)N TS00178 [2,0,0,0,0,0|2,0,0]=4 1280 B9R1.69 Cc1cc(ccc1N)N TS17999 [2,0,0,0,0,0|2,0,0]=4 1281 B9R1.69 Cc1cc(ccc1N)N TS23083 [2,0,0,0,0,0|2,0,0]=4 1282 B9R1.69 Cc1cc(ccc1N)O TS02998 [2,0,0,0,0,0|2,0,0]=4 1283 B9R1.69 Cc1cc(ccc1O)Br TS01121 [2,0,0,0,0,0|1,0,1]=4 1284 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [2,0,0,0,0,0|1,0,1]=4 1285 B9R1.69 Cc1cc(ccc1O)F TS09704 [2,0,0,0,0,0|1,0,1]=4 1286 B9R1.69 Cc1cc(ccc1O)I TS53550 [2,0,0,0,0,0|1,0,1]=4 1287 B9R1.69 Cc1cc(ccc1O)N TS08867 [2,0,0,0,0,0|1,0,1]=4 1288 B9R1.69 Cc1cc(ccc1O)O TS32600 [2,0,0,0,0,0|1,0,1]=4 1289 B9R1.69 Cc1cc(ccc1O)S TS70667 [2,0,0,0,0,0|1,0,1]=4 1290 B9R1.69 Cc1cc(n[nH]c1=O)C TS87639 [2,0,0,0,0,0|2,0,0]=4 1291 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [2,0,0,0,0,0|1,0,1]=4 1292 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [2,0,0,0,0,0|2,0,0]=4 1293 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [2,0,0,0,0,0|1,0,0]=3 1294 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [2,0,0,0,0,0|2,0,0]=4 1295 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [2,0,0,0,0,0|2,0,0]=4 1296 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [2,0,0,0,0,0|2,0,0]=4 1297 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [2,0,0,0,0,0|2,0,0]=4 1298 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [2,0,0,0,0,0|1,0,1]=4 1299 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [2,0,0,0,0,0|1,1,0]=4 1300 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [2,0,0,0,0,0|1,0,0]=3 1301 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [2,0,0,0,0,0|0,0,0]=2 1302 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [2,0,0,0,0,0|1,0,0]=3 1303 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [2,0,0,0,0,0|1,0,0]=3 1304 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [2,0,0,0,0,0|1,0,0]=3 1305 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [2,0,0,0,0,0|1,0,0]=3 1306 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [2,0,0,0,0,0|1,0,0]=3 1307 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [2,0,0,0,0,0|0,0,1]=3 1308 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [2,0,0,0,0,0|0,1,0]=3 1309 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [2,0,0,0,0,0|0,1,0]=3 1310 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [2,0,0,0,0,0|2,0,0]=4 1311 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [2,0,0,0,0,0|1,0,0]=3 1312 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [2,0,0,0,0,0|2,0,0]=4 1313 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [2,0,0,0,0,0|2,0,0]=4 1314 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [2,0,0,0,0,0|2,0,0]=4 1315 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [2,0,0,0,0,0|2,0,0]=4 1316 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [2,0,0,0,0,0|1,0,1]=4 1317 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [2,0,0,0,0,0|2,0,0]=4 1318 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [2,0,0,0,0,0|1,0,0]=3 1319 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [2,0,0,0,0,0|2,0,0]=4 1320 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [2,0,0,0,0,0|2,0,0]=4 1321 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [2,0,0,0,0,0|2,0,0]=4 1322 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [2,0,0,0,0,0|2,0,0]=4 1323 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [2,0,0,0,0,0|1,0,0]=3 1324 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [2,0,0,0,0,0|2,0,0]=4 1325 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [2,0,0,0,0,0|2,0,0]=4 1326 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [2,0,0,0,0,0|2,0,0]=4 1327 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [2,0,0,0,0,0|2,0,0]=4 1328 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [2,0,0,0,0,0|1,0,0]=3 1329 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [2,0,0,0,0,0|2,0,0]=4 1330 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [2,0,0,0,0,0|2,0,0]=4 1331 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [2,0,0,0,0,0|2,0,0]=4 1332 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [2,0,0,0,0,0|2,0,0]=4 1333 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [2,0,0,0,0,0|1,0,1]=4 1334 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [2,0,0,0,0,0|1,0,1]=4 1335 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [2,0,0,0,0,0|1,0,0]=3 1336 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [2,0,0,0,0,0|2,0,0]=4 1337 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [2,0,0,0,0,0|2,0,0]=4 1338 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [2,0,0,0,0,0|2,0,0]=4 1339 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [2,0,0,0,0,0|1,0,1]=4 1340 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [2,0,0,0,0,0|1,0,0]=3 1341 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [2,0,0,0,0,0|1,1,0]=4 1342 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [2,0,0,0,0,0|1,1,0]=4 1343 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [2,0,0,0,0,0|1,1,0]=4 1344 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [2,0,0,0,0,0|1,0,0]=3 1345 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [2,0,0,0,0,0|2,0,0]=4 1346 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [2,0,0,0,0,0|2,0,0]=4 1347 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [2,0,0,0,0,0|1,0,1]=4 1348 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [2,0,0,0,0,0|2,0,0]=4 1349 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [2,0,0,0,0,0|2,0,0]=4 1350 B9R1.69 Cc1ccc(cc1Br)I TS08325 [2,0,0,0,0,0|2,0,0]=4 1351 B9R1.69 Cc1ccc(cc1Br)N TS09455 [2,0,0,0,0,0|2,0,0]=4 1352 B9R1.69 Cc1ccc(cc1C)Br TS39736 [2,0,0,0,0,0|1,0,0]=3 1353 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [2,0,0,0,0,0|1,0,0]=3 1354 B9R1.69 Cc1ccc(cc1C)F TS65457 [2,0,0,0,0,0|1,0,0]=3 1355 B9R1.69 Cc1ccc(cc1C)I TS25161 [2,0,0,0,0,0|1,0,0]=3 1356 B9R1.69 Cc1ccc(cc1C)N TS32462 [2,0,0,0,0,0|1,0,0]=3 1357 B9R1.69 Cc1ccc(cc1C)O TS00123 [2,0,0,0,0,0|1,0,0]=3 1358 B9R1.69 Cc1ccc(cc1C)S TS06303 [2,0,0,0,0,0|1,0,0]=3 1359 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [2,0,0,0,0,0|2,0,0]=4 1360 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [2,0,0,0,0,0|2,0,0]=4 1361 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [2,0,0,0,0,0|2,0,0]=4 1362 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [2,0,0,0,0,0|2,0,0]=4 1363 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [2,0,0,0,0,0|2,0,0]=4 1364 B9R1.69 Cc1ccc(cc1F)Br TS16763 [2,0,0,0,0,0|2,0,0]=4 1365 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [2,0,0,0,0,0|2,0,0]=4 1366 B9R1.69 Cc1ccc(cc1F)F TS47222 [2,0,0,0,0,0|2,0,0]=4 1367 B9R1.69 Cc1ccc(cc1F)I TS02163 [2,0,0,0,0,0|2,0,0]=4 1368 B9R1.69 Cc1ccc(cc1F)N TS02755 [2,0,0,0,0,0|2,0,0]=4 1369 B9R1.69 Cc1ccc(cc1F)O TS02758 [2,0,0,0,0,0|2,0,0]=4 1370 B9R1.69 Cc1ccc(cc1F)S TS06690 [2,0,0,0,0,0|2,0,0]=4 1371 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [2,0,0,0,0,0|2,0,0]=4 1372 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [2,0,0,0,0,0|2,0,0]=4 1373 B9R1.69 Cc1ccc(cc1I)F TS60397 [2,0,0,0,0,0|2,0,0]=4 1374 B9R1.69 Cc1ccc(cc1I)N TS53418 [2,0,0,0,0,0|2,0,0]=4 1375 B9R1.69 Cc1ccc(cc1N)Br TS47394 [2,0,0,0,0,0|2,0,0]=4 1376 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [2,0,0,0,0,0|2,0,0]=4 1377 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [2,0,0,0,0,0|2,0,0]=4 1378 B9R1.69 Cc1ccc(cc1N)F TS71546 [2,0,0,0,0,0|2,0,0]=4 1379 B9R1.69 Cc1ccc(cc1N)I TS08884 [2,0,0,0,0,0|2,0,0]=4 1380 B9R1.69 Cc1ccc(cc1N)N TS32517 [2,0,0,0,0,0|2,0,0]=4 1381 B9R1.69 Cc1ccc(cc1N)O TS65470 [2,0,0,0,0,0|2,0,0]=4 1382 B9R1.69 Cc1ccc(cc1O)Br TS09797 [2,0,0,0,0,0|2,0,0]=4 1383 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [2,0,0,0,0,0|2,0,0]=4 1384 B9R1.69 Cc1ccc(cc1O)F TS65133 [2,0,0,0,0,0|2,0,0]=4 1385 B9R1.69 Cc1ccc(cc1O)O TS65139 [2,0,0,0,0,0|2,0,0]=4 1386 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [2,0,0,0,0,0|2,0,0]=4 1387 B9R1.69 Cc1ccc(cc1S)F TS06686 [2,0,0,0,0,0|2,0,0]=4 1388 B9R1.69 Cc1ccc(nc1C)C TS04872 [2,0,0,0,0,0|1,0,0]=3 1389 B9R1.69 Cc1ccc(nc1C)C TS26913 [2,0,0,0,0,0|1,0,0]=3 1390 B9R1.69 Cc1ccc(nc1C)N TS04919 [2,0,0,0,0,0|2,0,0]=4 1391 B9R1.69 Cc1ccc(nc1N)C TS02606 [2,0,0,0,0,0|2,0,0]=4 1392 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [2,0,0,0,0,0|2,0,0]=4 1393 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [2,0,0,0,0,0|2,0,0]=4 1394 B9R1.69 Cn1cc(ccc1=O)F TS03324 [2,0,0,0,0,0|2,0,0]=4 1395 B9R1.69 Cn1cc(ccc1=O)N TS87923 [2,0,0,0,0,0|2,0,0]=4 1396 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [1,1,0,0,0,0|1,0,1]=4 1397 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [1,1,0,0,0,0|1,0,1]=4 1398 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [1,1,0,0,0,0|1,0,1]=4 1399 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [1,1,0,0,0,0|0,0,1]=3 1400 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [1,1,0,0,0,0|0,0,1]=3 1401 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [1,1,0,0,0,0|0,0,1]=3 1402 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [1,1,0,0,0,0|0,0,1]=3 1403 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [1,1,0,0,0,0|0,0,0]=2 1404 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [1,1,0,0,0,0|0,0,0]=2 1405 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [1,1,0,0,0,0|1,0,0]=3 1406 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [1,1,0,0,0,0|1,0,1]=4 1407 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [1,1,0,0,0,0|1,0,0]=3 1408 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [1,1,0,0,0,0|1,0,1]=4 1409 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [1,1,0,0,0,0|1,0,1]=4 1410 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [1,1,0,0,0,0|1,0,1]=4 1411 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [1,1,0,0,0,0|1,0,1]=4 1412 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [1,1,0,0,0,0|1,0,1]=4 1413 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [1,1,0,0,0,0|0,0,2]=4 1414 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [1,1,0,0,0,0|0,0,0]=2 1415 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [1,1,0,0,0,0|1,0,0]=3 1416 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [1,1,0,0,0,0|1,0,0]=3 1417 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [1,1,0,0,0,0|1,0,0]=3 1418 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [1,1,0,0,0,0|1,1,0]=4 1419 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [1,1,0,0,0,0|1,0,1]=4 1420 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [1,1,0,0,0,0|1,0,1]=4 1422 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [1,1,0,0,0,0|1,0,1]=4 1423 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [1,1,0,0,0,0|2,0,0]=4 1424 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [1,1,0,0,0,0|2,0,0]=4 1425 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [1,1,0,0,0,0|2,0,0]=4 1426 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [1,1,0,0,0,0|2,0,0]=4 1427 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [1,1,0,0,0,0|1,0,0]=3 1428 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [1,1,0,0,0,0|2,0,0]=4 1429 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [1,1,0,0,0,0|2,0,0]=4 1430 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [1,1,0,0,0,0|1,0,0]=3 1431 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [1,1,0,0,0,0|1,0,0]=3 1432 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [1,1,0,0,0,0|1,0,0]=3 1433 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [1,1,0,0,0,0|1,0,0]=3 1434 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [1,1,0,0,0,0|1,1,0]=4 1435 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [1,1,0,0,0,0|2,0,0]=4 1436 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [1,1,0,0,0,0|2,0,0]=4 1437 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [1,1,0,0,0,0|2,0,0]=4 1438 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [1,1,0,0,0,0|1,0,0]=3 1439 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [1,1,0,0,0,0|1,0,1]=4 1441 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [1,1,0,0,0,0|1,0,1]=4 1442 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [1,1,0,0,0,0|1,0,1]=4 1443 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [1,1,0,0,0,0|1,0,1]=4 1444 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [1,1,0,0,0,0|2,0,0]=4 1445 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [1,1,0,0,0,0|2,0,0]=4 1446 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [1,1,0,0,0,0|2,0,0]=4 1448 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [1,1,0,0,0,0|1,0,1]=4 1449 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [1,1,0,0,0,0|1,0,0]=3 1450 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [1,1,0,0,0,0|1,0,0]=3 1452 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [1,1,0,0,0,0|1,0,0]=3 1453 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [1,1,0,0,0,0|2,0,0]=4 1454 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [1,1,0,0,0,0|1,0,0]=3 1457 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [1,1,0,0,0,0|1,0,0]=3 1458 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [1,1,0,0,0,0|1,0,0]=3 1460 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br TS56621 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl TS33159 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.19 CS(=O)(=O)c1ccc(cc1)F TS13477 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.19 CS(=O)(=O)c1ccc(cc1)N TS70784 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.19 Cc1ccc(cc1)C(C)(C)C TS07507 [1,1,0,0,0,0|1,0,1]=4 1467 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Br TS94398 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [1,1,0,0,0,0|1,0,0]=3 1469 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl TS01651 [1,1,0,0,0,0|2,0,0]=4 1470 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F TS13475 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [1,1,0,0,0,0|2,0,0]=4 1473 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [1,1,0,0,0,0|2,0,0]=4 1478 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [1,1,0,0,0,0|2,0,0]=4 1479 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [1,1,0,0,0,0|2,0,0]=4 1480 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [1,1,0,0,0,0|2,0,0]=4 1483 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [1,1,0,0,0,0|2,0,0]=4 1484 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34142 [1,1,0,0,0,0|2,0,0]=4 1485 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34439 [1,1,0,0,0,0|2,0,0]=4 1486 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS35992 [1,1,0,0,0,0|2,0,0]=4 1487 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45300 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45457 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS51776 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS53184 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS54628 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS58412 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59084 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59380 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS62193 [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS64959 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS69285 [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS73309 [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS74554 [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS76424 [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS84456 [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.19 Cc1ccc(cc1)S(=O)(=S)[O-] TS52406 [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C TS42819 [1,1,0,0,0,0|1,1,0]=4 1505 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [1,1,0,0,0,0|1,0,0]=3 1506 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [1,1,0,0,0,0|1,0,0]=3 1507 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [1,1,0,0,0,0|1,0,0]=3 1508 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [1,1,0,0,0,0|1,0,0]=3 1509 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [1,1,0,0,0,0|1,0,0]=3 1510 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [1,1,0,0,0,0|1,0,0]=3 1511 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [1,1,0,0,0,0|1,0,0]=3 1512 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [1,1,0,0,0,0|1,0,0]=3 1513 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [1,1,0,0,0,0|1,0,0]=3 1514 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [1,1,0,0,0,0|1,0,0]=3 1515 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [1,1,0,0,0,0|1,0,0]=3 1516 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [1,1,0,0,0,0|1,0,0]=3 1517 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [1,1,0,0,0,0|2,0,0]=4 1520 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [1,1,0,0,0,0|1,0,0]=3 1521 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [1,1,0,0,0,0|2,0,0]=4 1522 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [1,1,0,0,0,0|1,0,0]=3 1523 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [1,1,0,0,0,0|2,0,0]=4 1526 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [1,1,0,0,0,0|2,0,0]=4 1527 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [1,1,0,0,0,0|2,0,0]=4 1528 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [1,1,0,0,0,0|1,0,0]=3 1529 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [1,1,0,0,0,0|0,0,0]=2 1531 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [1,1,0,0,0,0|1,0,0]=3 1532 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [1,1,0,0,0,0|1,0,0]=3 1533 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [1,1,0,0,0,0|2,0,0]=4 1536 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [1,1,0,0,0,0|0,0,0]=2 1537 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [1,1,0,0,0,0|1,0,0]=3 1538 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [1,1,0,0,0,0|1,0,0]=3 1539 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [1,1,0,0,0,0|1,0,0]=3 1540 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [1,1,0,0,0,0|1,1,0]=4 1541 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [1,1,0,0,0,0|1,0,0]=3 1543 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [1,1,0,0,0,0|1,0,0]=3 1544 B11R1.21 Cc1ccc(cc1Cl)[C@@H](C)N TS45057 [1,1,0,0,0,0|1,0,1]=4 1545 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [1,1,0,0,0,0|2,0,0]=4 1546 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [1,1,0,0,0,0|2,0,0]=4 1547 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [1,1,0,0,0,0|0,0,0]=2 1548 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [1,1,0,0,0,0|1,0,0]=3 1549 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [1,1,0,0,0,0|1,0,0]=3 1550 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [1,1,0,0,0,0|1,1,0]=4 1551 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [1,1,0,0,0,0|2,0,0]=4 1552 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [1,1,0,0,0,0|1,0,0]=3 1553 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [1,1,0,0,0,0|2,0,0]=4 1554 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [1,1,0,0,0,0|1,0,0]=3 1555 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [1,1,0,0,0,0|1,0,0]=3 1556 B11R1.21 Cc1ccc(cc1N)C(C)C TS07607 [1,1,0,0,0,0|1,0,1]=4 1557 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [1,1,0,0,0,0|2,0,0]=4 1558 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [1,1,0,0,0,0|0,0,0]=2 1559 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [1,1,0,0,0,0|1,0,0]=3 1560 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [1,1,0,0,0,0|1,0,1]=4 1561 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [1,1,0,0,0,0|2,0,0]=4 1562 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [1,1,0,0,0,0|2,0,0]=4 1567 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [1,1,0,0,0,0|2,0,0]=4 1568 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [1,1,0,0,0,0|2,0,0]=4 1571 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [1,1,0,0,0,0|2,0,0]=4 1589 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [1,1,0,0,0,0|2,0,0]=4 1590 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [1,1,0,0,0,0|2,0,0]=4 1591 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [1,1,0,0,0,0|2,0,0]=4 1592 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [1,1,0,0,0,0|1,0,1]=4 1610 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [1,1,0,0,0,0|1,0,1]=4 1611 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [1,1,0,0,0,0|1,0,0]=3 1612 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,1,0,0,0,0|0,0,0]=2 1613 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [1,1,0,0,0,0|1,0,0]=3 1614 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [1,1,0,0,0,0|1,0,0]=3 1615 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [1,1,0,0,0,0|1,0,0]=3 1616 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [1,1,0,0,0,0|1,0,0]=3 1617 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [1,1,0,0,0,0|1,0,0]=3 1619 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [1,1,0,0,0,0|1,0,0]=3 1622 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [1,1,0,0,0,0|1,0,0]=3 1623 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [1,1,0,0,0,0|1,0,0]=3 1624 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [1,1,0,0,0,0|1,0,0]=3 1625 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [1,1,0,0,0,0|1,0,0]=3 1626 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [1,1,0,0,0,0|1,0,0]=3 1627 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [1,1,0,0,0,0|1,0,0]=3 1628 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [1,1,0,0,0,0|1,0,0]=3 1629 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [1,1,0,0,0,0|1,0,0]=3 1630 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [1,1,0,0,0,0|2,0,0]=4 1631 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [1,1,0,0,0,0|2,0,0]=4 1641 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [1,1,0,0,0,0|1,0,1]=4 1642 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [1,1,0,0,0,0|0,0,1]=3 1643 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [1,1,0,0,0,0|0,0,1]=3 1644 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [1,1,0,0,0,0|0,0,0]=2 1645 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [1,1,0,0,0,0|0,0,0]=2 1646 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [1,1,0,0,0,0|0,0,0]=2 1647 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [1,1,0,0,0,0|0,0,0]=2 1648 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [1,1,0,0,0,0|0,0,0]=2 1649 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [1,1,0,0,0,0|0,0,0]=2 1650 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [1,1,0,0,0,0|1,0,0]=3 1651 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [1,1,0,0,0,0|1,0,0]=3 1652 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [1,1,0,0,0,0|0,0,0]=2 1653 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [1,1,0,0,0,0|0,0,1]=3 1654 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [1,1,0,0,0,0|1,0,0]=3 1655 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [1,1,0,0,0,0|1,0,0]=3 1656 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [1,1,0,0,0,0|2,0,0]=4 1657 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [1,1,0,0,0,0|2,0,0]=4 1658 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [1,1,0,0,0,0|2,0,0]=4 1659 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [1,1,0,0,0,0|1,0,1]=4 1660 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [1,1,0,0,0,0|1,0,1]=4 1661 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [1,1,0,0,0,0|1,0,1]=4 1662 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [1,1,0,0,0,0|1,0,1]=4 1663 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [1,1,0,0,0,0|1,0,1]=4 1664 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [1,1,0,0,0,0|1,0,1]=4 1665 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [1,1,0,0,0,0|1,0,1]=4 1666 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [1,1,0,0,0,0|1,0,1]=4 1667 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [1,1,0,0,0,0|1,0,0]=3 1668 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [1,1,0,0,0,0|1,0,0]=3 1669 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [1,1,0,0,0,0|1,0,0]=3 1670 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [1,1,0,0,0,0|1,0,0]=3 1671 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [1,1,0,0,0,0|1,0,0]=3 1672 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [1,1,0,0,0,0|1,0,0]=3 1673 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [1,1,0,0,0,0|1,0,0]=3 1674 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [1,1,0,0,0,0|1,0,0]=3 1675 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [1,1,0,0,0,0|1,0,0]=3 1676 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [1,1,0,0,0,0|1,0,0]=3 1677 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [1,1,0,0,0,0|1,0,0]=3 1678 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [1,1,0,0,0,0|1,0,0]=3 1679 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [1,1,0,0,0,0|1,0,0]=3 1680 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [1,1,0,0,0,0|1,0,0]=3 1681 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [1,1,0,0,0,0|1,0,0]=3 1682 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [1,1,0,0,0,0|2,0,0]=4 1684 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.37 COc1cc(ccc1C=O)F TS09700 [1,1,0,0,0,0|1,0,0]=3 1689 B11R1.37 COc1cc(ccc1C=O)O TS71152 [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.37 COc1ccc(cc1CBr)F TS07834 [1,1,0,0,0,0|2,0,0]=4 1691 B11R1.37 COc1ccc(cc1CN)Cl TS45383 [1,1,0,0,0,0|2,0,0]=4 1692 B11R1.37 COc1ccc(cc1CO)Br TS07816 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.37 COc1ccc(cc1OC)Br TS09621 [1,1,0,0,0,0|2,0,0]=4 1694 B11R1.37 COc1ccc(cc1OC)F TS41604 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.37 COc1ccc(cc1OC)I TS68773 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.37 COc1ccc(cc1OC)N TS02553 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.37 COc1ccc(cc1OC)N TS16248 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.37 COc1ccc(cc1OC)O TS65454 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.37 COc1ccc(cc1OC)S TS12826 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [1,1,0,0,0,0|1,0,0]=3 1701 B11R1.37 c1cc(c(cc1F)C#N)C=O TS40714 [1,1,0,0,0,0|1,0,1]=4 1702 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [1,1,0,0,0,0|1,0,1]=4 1703 B11R1.81 Cc1cc(ccc1N=C=O)Br TS21238 [1,1,0,0,0,0|1,0,1]=4 1704 B11R1.81 Cc1cc(ccc1N=C=O)Cl TS43271 [1,1,0,0,0,0|1,0,1]=4 1705 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [1,1,0,0,0,0|0,0,2]=4 1706 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [1,1,0,0,0,0|0,0,1]=3 1707 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [1,1,0,0,0,0|0,0,1]=3 1708 B11R1.81 Cc1ccc(c(c1)C)N=C=O TS40523 [1,1,0,0,0,0|0,0,1]=3 1709 B11R1.81 Cc1ccc(c(c1)C)N=C=S TS42627 [1,1,0,0,0,0|0,1,1]=4 1710 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [1,1,0,0,0,0|0,0,0]=2 1711 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [1,1,0,0,0,0|2,0,0]=4 1712 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [1,1,0,0,0,0|2,0,0]=4 1713 B11R1.277 Cc1cc(c(cc1Br)F)C=O TS16761 [1,1,0,0,0,0|2,0,0]=4 1714 B11R1.277 Cc1cc(c(cc1C)C#C)C TS07001 [1,1,0,0,0,0|0,0,2]=4 1715 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [1,1,0,0,0,0|0,0,0]=2 1716 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.277 Cc1cc(c(cc1C=O)F)Br TS39472 [1,1,0,0,0,0|1,0,0]=3 1718 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [1,1,0,0,0,0|1,0,0]=3 1719 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.277 Cc1cc(c(cc1O)C)C=O TS71150 [1,1,0,0,0,0|1,0,0]=3 1722 B11R1.277 c1c(c(cc(c1Br)F)O)C=O TS49543 [1,1,0,0,0,0|2,0,0]=4 1723 B11R1.277 c1c(c(cc(c1Br)O)Br)C=O TS54282 [1,1,0,0,0,0|2,0,0]=4 1724 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O TS16794 [1,1,0,0,0,0|2,0,0]=4 1725 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O TS17601 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.277 c1c(c(cc(c1F)Cl)F)C=O TS65125 [1,1,0,0,0,0|2,0,0]=4 1727 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O TS60274 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.277 c1c(c(cc(c1F)F)F)C=O TS00581 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.277 c1c(c(cc(c1O)O)O)C=O TS10388 [1,1,0,0,0,0|2,0,0]=4 1730 B11R1.278 Cc1c(c(ccc1OC)Br)C TS21835 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.278 Cc1c(c(ccc1OC)I)C TS68562 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [1,1,0,0,0,0|1,0,0]=3 1734 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [1,1,0,0,0,0|0,0,0]=2 1736 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [1,1,0,0,0,0|0,0,2]=4 1737 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [1,1,0,0,0,0|1,0,0]=3 1738 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.278 c1cc(c(c(c1C=O)Cl)Cl)O TS60227 [1,1,0,0,0,0|2,0,0]=4 1740 B11R1.278 c1cc(c(c(c1C=O)F)Cl)F TS13933 [1,1,0,0,0,0|2,0,0]=4 1741 B11R1.278 c1cc(c(c(c1C=O)F)F)Br TS23219 [1,1,0,0,0,0|2,0,0]=4 1742 B11R1.278 c1cc(c(c(c1C=O)F)F)F TS00532 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.278 c1cc(c(c(c1C=O)F)F)I TS30479 [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.279 CNc1ccc(cc1N)OC TS10200 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [1,1,0,0,0,0|2,0,0]=4 1748 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [1,1,0,0,0,0|1,0,0]=3 1749 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [1,1,0,0,0,0|2,0,0]=4 1750 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [1,1,0,0,0,0|2,0,0]=4 1752 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|2,0,0]=4 1754 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [1,1,0,0,0,0|2,0,0]=4 1755 B11R1.279 COc1ccc(cc1Br)CN TS21977 [1,1,0,0,0,0|2,0,0]=4 1756 B11R1.279 COc1ccc(cc1Br)CO TS59850 [1,1,0,0,0,0|2,0,0]=4 1757 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [1,1,0,0,0,0|2,0,0]=4 1758 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.279 COc1ccc(cc1F)CBr TS65514 [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.279 COc1ccc(cc1F)CN TS41508 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.279 COc1ccc(cc1F)CO TS41603 [1,1,0,0,0,0|2,0,0]=4 1762 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|2,0,0]=4 1764 B11R1.279 Cc1cc(ccc1C#C)OC TS07228 [1,1,0,0,0,0|0,0,2]=4 1765 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [1,1,0,0,0,0|0,0,0]=2 1766 B11R1.279 Cc1cc(ccc1NN)OC TS16092 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|1,0,1]=4 1768 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [1,1,0,0,0,0|1,0,0]=3 1769 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|1,0,0]=3 1770 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [1,1,0,0,0,0|1,0,0]=3 1771 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [1,1,0,0,0,0|1,0,0]=3 1772 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [1,1,0,0,0,0|1,0,0]=3 1773 B11R1.279 c1cc(c(cc1C#N)F)C=O TS71087 [1,1,0,0,0,0|1,0,1]=4 1774 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [1,1,0,0,0,0|1,0,1]=4 1775 B11R1.464 Cc1cc(c(c(c1)C)C#C)C TS07006 [1,1,0,0,0,0|0,0,2]=4 1776 B11R1.464 Cc1cc(c(c(c1)C)C#N)C TS07126 [1,1,0,0,0,0|1,0,1]=4 1777 B11R1.464 Cc1cc(c(c(c1)C)C=C)C TS40457 [1,1,0,0,0,0|0,0,1]=3 1778 B11R1.464 Cc1cc(c(c(c1)C)C=O)C TS07475 [1,1,0,0,0,0|0,0,0]=2 1779 B11R1.464 Cc1cc(c(c(c1)C)CBr)C TS44302 [1,1,0,0,0,0|1,0,1]=4 1780 B11R1.464 Cc1cc(c(c(c1)C)CCl)C TS12632 [1,1,0,0,0,0|1,0,1]=4 1781 B11R1.464 Cc1cc(c(c(c1)C)CN)C TS07602 [1,1,0,0,0,0|1,0,1]=4 1782 B11R1.464 Cc1cc(c(c(c1)C)CO)C TS09925 [1,1,0,0,0,0|0,0,2]=4 1783 B11R1.464 Cc1cc(c(c(c1)C)CS)C TS43139 [1,1,0,0,0,0|0,1,1]=4 1784 B11R1.464 Cc1cc(c(c(c1)C)NN)C TS15740 [1,1,0,0,0,0|2,0,0]=4 1785 B11R1.464 Cc1cc(c(c(c1)C)[Mg]Br)C TS50358 [1,1,0,0,0,0|2,0,0]=4 1786 B11R1.464 Cc1cc(c(c(c1)O)C=O)O TS10138 [1,1,0,0,0,0|1,0,0]=3 1787 B11R1.464 Cc1cc(cc(c1C=O)Br)F TS22164 [1,1,0,0,0,0|1,0,0]=3 1788 B11R1.464 Cc1cc(cc(c1C=O)C)F TS10164 [1,1,0,0,0,0|1,0,0]=3 1789 B11R1.464 Cc1cc(cc(c1C=O)C)O TS71151 [1,1,0,0,0,0|1,0,0]=3 1790 B11R1.464 Cc1cc(cc(c1OC)C)Br TS21833 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.464 Cc1cc(cc(c1OC)C)I TS68560 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.464 Cc1cc(cc(c1OC)C)N TS10082 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.464 Cc1cc(cc(c1OC)C)S TS12579 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.464 Cc1cc(cc(c1SC)C)O TS02601 [1,1,0,0,0,0|2,0,0]=4 1795 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)O TS17216 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.464 c1c(cc(c(c1F)C=O)F)Br TS16925 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.464 c1c(cc(c(c1F)C=O)F)F TS00595 [1,1,0,0,0,0|2,0,0]=4 1798 B11R1.464 c1c(cc(c(c1O)C=O)Cl)Cl TS17217 [1,1,0,0,0,0|2,0,0]=4 1799 B11R1.464 c1c(cc(c(c1O)C=O)O)O TS59918 [1,1,0,0,0,0|2,0,0]=4 1800 B11R1.53 C#Cc1ccccc1C(=O)O TS07176 [1,1,0,0,0,0|1,0,1]=4 1801 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [1,1,0,0,0,0|0,0,1]=3 1802 B11R1.53 CC(=O)c1ccccc1OC TS09870 [1,1,0,0,0,0|0,0,0]=2 1803 B11R1.53 CC(C)c1ccccc1OC TS40899 [1,1,0,0,0,0|1,0,1]=4 1804 B11R1.53 CCc1c(nccn1)C(=O)C TS09880 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.53 CCc1ccccc1C(=O)O TS55311 [1,1,0,0,0,0|1,0,0]=3 1806 B11R1.53 CCc1ccccc1C(=S)N TS12087 [1,1,0,0,0,0|1,1,0]=4 1807 B11R1.53 CCc1ccccc1N(=O)=O TS39599 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.53 CNc1c(cccn1)C(=O)O TS41111 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.53 CNc1ccccc1C(=O)N TS09878 [1,1,0,0,0,0|1,0,0]=3 1810 B11R1.53 CNc1ccccc1C(=O)O TS40996 [1,1,0,0,0,0|1,0,0]=3 1811 B11R1.53 CNc1ccccc1[N+](=O)[O-] TS41127 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.53 COc1c(cccn1)C(=O)O TS41256 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.53 COc1ccccc1C(=N)N TS15732 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.53 COc1ccccc1C(=O)Cl TS12916 [1,1,0,0,0,0|1,0,0]=3 1815 B11R1.53 COc1ccccc1C(=O)N TS10036 [1,1,0,0,0,0|1,0,0]=3 1816 B11R1.53 COc1ccccc1C(=O)O TS00089 [1,1,0,0,0,0|1,0,0]=3 1817 B11R1.53 COc1ccccc1C(=S)N TS12414 [1,1,0,0,0,0|1,1,0]=4 1818 B11R1.53 COc1ccccc1[N+](=O)[O-] TS41258 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.53 COc1cccnc1C(=O)O TS41254 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.53 COc1cnccc1C(=O)O TS02821 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.53 CSc1c(cccn1)C(=O)O TS02456 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.53 CSc1ccccc1C(=O)O TS44885 [1,1,0,0,0,0|1,0,0]=3 1823 B11R1.53 CSc1ccccc1[N+](=O)[O-] TS59981 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.53 C[C@@H](c1ccccc1OC)N TS10074 [1,1,0,0,0,0|1,0,1]=4 1825 B11R1.53 C[C@H](c1ccccc1OC)N TS10073 [1,1,0,0,0,0|1,0,1]=4 1826 B11R1.53 c1ccc(c(c1)C#N)C(=O)Cl TS42961 [1,1,0,0,0,0|1,0,1]=4 1827 B11R1.53 c1ccc(c(c1)C#N)C(=O)N TS07196 [1,1,0,0,0,0|1,0,1]=4 1828 B11R1.53 c1ccc(c(c1)C#N)C(=O)O TS55301 [1,1,0,0,0,0|1,0,1]=4 1829 B11R1.53 c1ccc(c(c1)C(=O)O)I=O TS29988 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS41107 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS50819 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.53 c1ccc(c(c1)C(=O)O)[Hg]O TS78416 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.53 c1ccc(c(c1)C=O)C(=O)O TS07648 [1,1,0,0,0,0|1,0,1]=4 1834 B11R1.53 c1ccc(c(c1)CBr)C(=O)Br TS31288 [1,1,0,0,0,0|1,0,0]=3 1835 B11R1.53 c1ccc(c(c1)CBr)C(=O)O TS44633 [1,1,0,0,0,0|1,0,0]=3 1836 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] TS09391 [1,1,0,0,0,0|2,0,0]=4 1837 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl TS50845 [1,1,0,0,0,0|1,0,0]=3 1838 B11R1.53 c1ccc(c(c1)CCl)C(=O)O TS47087 [1,1,0,0,0,0|1,0,0]=3 1839 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] TS13069 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] TS50822 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] TS09390 [1,1,0,0,0,0|2,0,0]=4 1842 B11R1.53 c1cncc(c1CO)C(=O)O TS10288 [1,1,0,0,0,0|2,0,0]=4 1843 B11R1.87 CS(=O)(=O)c1ccccc1Br TS56617 [1,1,0,0,0,0|2,0,0]=4 1844 B11R1.87 CS(=O)(=O)c1ccccc1Cl TS51206 [1,1,0,0,0,0|2,0,0]=4 1845 B11R1.87 CS(=O)(=O)c1ccccc1N TS13014 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.87 CS(=O)(=O)c1ccccc1O TS45454 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.87 Cc1ccccc1C(C)(C)C TS07504 [1,1,0,0,0,0|1,0,1]=4 1848 B11R1.87 Cc1ccccc1S(=O)(=O)Cl TS51204 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.87 Cc1ccccc1S(=O)(=O)N TS13015 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.87 Cc1ccccc1S(=O)(=O)O TS65055 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.156 CC(=O)c1c(cccc1Cl)Cl TS50844 [1,1,0,0,0,0|1,0,0]=3 1852 B11R1.156 CC(=O)c1c(cccc1Cl)F TS45556 [1,1,0,0,0,0|1,0,0]=3 1853 B11R1.156 CC(=O)c1c(cccc1F)F TS34647 [1,1,0,0,0,0|1,0,0]=3 1854 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [1,1,0,0,0,0|1,0,0]=3 1855 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [1,1,0,0,0,0|1,0,0]=3 1856 B11R1.156 CC(=O)c1c(ccnc1Cl)I TS34356 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.156 Cc1cccc(c1C(=N)N)C TS40671 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [1,1,0,0,0,0|0,0,0]=2 1859 B11R1.156 Cc1cccc(c1C(=O)N)Cl TS12721 [1,1,0,0,0,0|1,0,0]=3 1860 B11R1.156 Cc1cccc(c1C(=O)O)Br TS08368 [1,1,0,0,0,0|1,0,0]=3 1861 B11R1.156 Cc1cccc(c1C(=O)O)C TS47324 [1,1,0,0,0,0|1,0,0]=3 1862 B11R1.156 Cc1cccc(c1C(=O)O)Cl TS00931 [1,1,0,0,0,0|1,0,0]=3 1863 B11R1.156 Cc1cccc(c1C(=O)O)F TS55367 [1,1,0,0,0,0|1,0,0]=3 1864 B11R1.156 Cc1cccc(c1C(=O)O)N TS65371 [1,1,0,0,0,0|1,0,0]=3 1865 B11R1.156 Cc1cccc(c1C(=O)O)O TS09305 [1,1,0,0,0,0|1,0,0]=3 1866 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Br TS65911 [1,1,0,0,0,0|2,0,0]=4 1867 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C TS10017 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Cl TS65982 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.156 Cc1cccc(c1[N+](=O)[O-])N TS70659 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.156 Cc1cccc(c1[N+](=O)[O-])O TS93827 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.156 Cc1ccnc(c1C(=O)O)C TS00645 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.156 Cc1ccnc(c1C(=O)O)C TS15873 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.156 Cc1ccnc(c1C(=O)O)N TS41117 [1,1,0,0,0,0|2,0,0]=4 1874 B11R1.156 Cc1cncc(c1C(=O)O)C TS65820 [1,1,0,0,0,0|2,0,0]=4 1875 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)Cl TS28543 [1,1,0,0,0,0|2,0,0]=4 1876 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)F TS26103 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Br TS54283 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl TS55141 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F TS55145 [1,1,0,0,0,0|2,0,0]=4 1880 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N TS44776 [1,1,0,0,0,0|2,0,0]=4 1881 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl TS20794 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F TS17603 [1,1,0,0,0,0|2,0,0]=4 1883 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl TS16283 [1,1,0,0,0,0|2,0,0]=4 1884 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F TS45696 [1,1,0,0,0,0|2,0,0]=4 1885 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl TS47298 [1,1,0,0,0,0|2,0,0]=4 1886 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F TS45862 [1,1,0,0,0,0|2,0,0]=4 1887 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N TS00802 [1,1,0,0,0,0|2,0,0]=4 1888 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O TS01777 [1,1,0,0,0,0|2,0,0]=4 1889 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F TS34654 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F TS41746 [1,1,0,0,0,0|2,0,0]=4 1891 B11R1.156 c1cc(c(c(c1)F)C(=O)N)N TS10395 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F TS34651 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N TS08956 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O TS55362 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.156 c1cc(c(c(c1)F)C(=O)[O-])F TS14504 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.156 c1cc(c(c(c1)I)C(=O)Cl)F TS65423 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F TS73457 [1,1,0,0,0,0|2,0,0]=4 1898 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O TS41257 [1,1,0,0,0,0|2,0,0]=4 1899 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O TS10390 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [1,1,0,0,0,0|1,0,0]=3 1901 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [1,1,0,0,0,0|1,0,0]=3 1902 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [1,1,0,0,0,0|1,0,0]=3 1903 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [1,1,0,0,0,0|1,0,0]=3 1904 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [1,1,0,0,0,0|1,0,0]=3 1905 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [1,1,0,0,0,0|1,0,0]=3 1906 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [1,1,0,0,0,0|1,0,0]=3 1907 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [1,1,0,0,0,0|1,0,0]=3 1908 B11R1.159 CC(=O)c1ccnc(c1N)Cl TS46708 [1,1,0,0,0,0|2,0,0]=4 1909 B11R1.159 Cc1c(cccc1Br)C(=O)O TS65906 [1,1,0,0,0,0|1,0,0]=3 1910 B11R1.159 Cc1c(cccc1Br)[N+](=O)[O-] TS08376 [1,1,0,0,0,0|2,0,0]=4 1911 B11R1.159 Cc1c(cccc1Cl)C(=O)O TS12927 [1,1,0,0,0,0|1,0,0]=3 1912 B11R1.159 Cc1c(cccc1Cl)[N+](=O)[O-] TS13076 [1,1,0,0,0,0|2,0,0]=4 1913 B11R1.159 Cc1c(cccc1F)C(=O)O TS70571 [1,1,0,0,0,0|1,0,0]=3 1914 B11R1.159 Cc1c(cccc1F)[N+](=O)[O-] TS65427 [1,1,0,0,0,0|2,0,0]=4 1915 B11R1.159 Cc1c(cccc1I)C(=O)O TS29741 [1,1,0,0,0,0|1,0,0]=3 1916 B11R1.159 Cc1c(cccc1N)C(=O)O TS22768 [1,1,0,0,0,0|1,0,0]=3 1917 B11R1.159 Cc1c(cccc1O)C(=O)O TS02787 [1,1,0,0,0,0|1,0,0]=3 1918 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] TS01061 [1,1,0,0,0,0|2,0,0]=4 1919 B11R1.159 Cc1c(cccc1[N+](=O)[O-])N TS01111 [1,1,0,0,0,0|2,0,0]=4 1920 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [1,1,0,0,0,0|2,0,0]=4 1921 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [1,1,0,0,0,0|0,0,0]=2 1922 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [1,1,0,0,0,0|1,0,0]=3 1923 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [1,1,0,0,0,0|1,0,0]=3 1924 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [1,1,0,0,0,0|1,0,0]=3 1925 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [1,1,0,0,0,0|0,0,2]=4 1926 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] TS02867 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [1,1,0,0,0,0|2,0,0]=4 1928 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [1,1,0,0,0,0|2,0,0]=4 1929 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [1,1,0,0,0,0|2,0,0]=4 1933 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [1,1,0,0,0,0|2,0,0]=4 1934 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O TS25786 [1,1,0,0,0,0|2,0,0]=4 1935 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O TS16864 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O TS08283 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl TS07690 [1,1,0,0,0,0|2,0,0]=4 1939 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N TS16281 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O TS17215 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl TS17599 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)F TS13935 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N TS13405 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O TS55323 [1,1,0,0,0,0|2,0,0]=4 1945 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O TS02713 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [1,1,0,0,0,0|2,0,0]=4 1947 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O TS08298 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O TS08825 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl TS13934 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N TS41747 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O TS41848 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O TS70565 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O TS47360 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O TS09287 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O TS68678 [1,1,0,0,0,0|2,0,0]=4 1957 B11R1.159 c1cc(c(c(c1)N)Cl)C(=O)O TS02627 [1,1,0,0,0,0|2,0,0]=4 1958 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O TS08861 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N TS65011 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS50976 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS65023 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [1,1,0,0,0,0|1,0,0]=3 1965 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [1,1,0,0,0,0|1,0,0]=3 1966 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [1,1,0,0,0,0|1,0,0]=3 1967 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [1,1,0,0,0,0|1,0,0]=3 1968 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [1,1,0,0,0,0|1,0,0]=3 1969 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [1,1,0,0,0,0|1,0,0]=3 1970 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [1,1,0,0,0,0|1,0,0]=3 1971 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [1,1,0,0,0,0|1,0,0]=3 1972 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [1,1,0,0,0,0|1,0,0]=3 1973 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [1,1,0,0,0,0|1,0,0]=3 1974 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [1,1,0,0,0,0|1,0,0]=3 1975 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [1,1,0,0,0,0|1,0,0]=3 1976 B11R1.167 CC(=O)c1cc(cnc1Cl)Br TS89970 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.167 CC(=O)c1cc(cnc1F)Br TS49340 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [1,1,0,0,0,0|0,0,0]=2 1979 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [1,1,0,0,0,0|1,0,0]=3 1980 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [1,1,0,0,0,0|1,0,0]=3 1985 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [1,1,0,0,0,0|2,0,0]=4 1987 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [1,1,0,0,0,0|0,0,2]=4 1991 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C TS40774 [1,1,0,0,0,0|1,0,1]=4 1992 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])C TS10012 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.167 Cc1ccc(cc1C(=O)Cl)F TS45555 [1,1,0,0,0,0|1,0,0]=3 1994 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [1,1,0,0,0,0|1,0,0]=3 1995 B11R1.167 Cc1ccc(cc1C(=O)O)Br TS09795 [1,1,0,0,0,0|1,0,0]=3 1996 B11R1.167 Cc1ccc(cc1C(=O)O)Cl TS59724 [1,1,0,0,0,0|1,0,0]=3 1997 B11R1.167 Cc1ccc(cc1C(=O)O)F TS71548 [1,1,0,0,0,0|1,0,0]=3 1998 B11R1.167 Cc1ccc(cc1C(=O)O)I TS71573 [1,1,0,0,0,0|1,0,0]=3 1999 B11R1.167 Cc1ccc(cc1C(=O)O)N TS10034 [1,1,0,0,0,0|1,0,0]=3 2000 B11R1.167 Cc1ccc(cc1C(=O)O)O TS08754 [1,1,0,0,0,0|1,0,0]=3 2001 B11R1.167 Cc1ccc(cc1C(C)C)N TS40778 [1,1,0,0,0,0|1,0,1]=4 2002 B11R1.167 Cc1ccc(cc1N(C)C)N TS09950 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br TS70970 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl TS71028 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F TS09709 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])I TS71189 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])N TS71231 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O TS01859 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl TS28542 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br TS47248 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl TS93544 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.167 c1cc(c(cc1Br)C(=O)O)F TS71420 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.167 c1cc(c(cc1Br)C(=O)O)I TS09784 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.167 c1cc(c(cc1Br)C(=O)O)N TS44778 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)Cl TS00659 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F TS17600 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F TS13401 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N TS45231 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br TS55118 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl TS17212 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F TS09840 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I TS07824 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS00775 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS43384 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br TS26098 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl TS17597 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl TS13404 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.167 c1cc(c(cc1F)C(=O)N)F TS41741 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.167 c1cc(c(cc1F)C(=O)N)N TS00785 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.167 c1cc(c(cc1F)C(=O)O)Br TS60266 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl TS09282 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.167 c1cc(c(cc1F)C(=O)O)F TS00676 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.167 c1cc(c(cc1F)C(=O)O)I TS01073 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.167 c1cc(c(cc1F)C(=O)O)N TS08951 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.167 c1cc(c(cc1I)C(=O)O)Br TS77657 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl TS65397 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.167 c1cc(c(cc1I)C(=O)O)F TS01001 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.167 c1cc(c(cc1I)C(=O)O)I TS66956 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.167 c1cc(c(cc1I)C(=O)O)N TS68682 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [1,1,0,0,0,0|2,0,0]=4 2049 B11R1.167 c1cc(c(cc1N)C(=O)O)Br TS71352 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS13075 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS30728 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.167 c1cc(c(cc1N)C(=O)O)N TS41122 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.167 c1cc(c(cc1O)C(=O)O)Br TS22158 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.167 c1cc(c(cc1O)C(=O)O)F TS00998 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.167 c1cc(c(cc1O)C(=O)O)I TS29985 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.167 c1cc(c(cc1O)C(=O)O)N TS03332 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.222 CC(=NO)c1ccccc1O TS10031 [1,1,0,0,0,0|1,0,1]=4 2062 B11R1.222 CCC(=O)c1ccccc1F TS01035 [1,1,0,0,0,0|1,0,0]=3 2063 B11R1.222 CCC(=O)c1ccccc1O TS09859 [1,1,0,0,0,0|1,0,0]=3 2064 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [1,1,0,0,0,0|1,0,0]=3 2065 B11R1.222 CNC(=O)c1ccccc1N TS00814 [1,1,0,0,0,0|1,0,0]=3 2066 B11R1.222 CNC(=O)c1ccccc1O TS41017 [1,1,0,0,0,0|1,0,0]=3 2067 B11R1.222 CNC(=O)c1cccnc1N TS10047 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.222 COC(=O)c1c(cccn1)Br TS86373 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.222 COC(=O)c1c(cccn1)Cl TS56271 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.222 COC(=O)c1c(cccn1)F TS02769 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.222 COC(=O)c1c(cccn1)N TS08576 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.222 COC(=O)c1ccccc1Br TS44643 [1,1,0,0,0,0|1,0,0]=3 2075 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [1,1,0,0,0,0|1,0,0]=3 2076 B11R1.222 COC(=O)c1ccccc1F TS56255 [1,1,0,0,0,0|1,0,0]=3 2077 B11R1.222 COC(=O)c1ccccc1I TS29742 [1,1,0,0,0,0|1,0,0]=3 2078 B11R1.222 COC(=O)c1ccccc1N TS56313 [1,1,0,0,0,0|1,0,0]=3 2079 B11R1.222 COC(=O)c1ccccc1O TS10129 [1,1,0,0,0,0|1,0,0]=3 2080 B11R1.222 COC(=O)c1ccccc1S TS44891 [1,1,0,0,0,0|1,0,0]=3 2081 B11R1.222 COC(=O)c1cccnc1Br TS59949 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.222 COC(=O)c1cccnc1F TS01029 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.222 COC(=O)c1cccnc1N TS08546 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.222 COC(=O)c1cccnc1O TS41251 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.222 COC(=O)c1ccncc1Br TS86589 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.222 COC(=O)c1ccncc1I TS70635 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.222 COC(=O)c1ccncc1N TS41123 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.222 COC(=O)c1ccncc1O TS41246 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [1,1,0,0,0,0|2,0,0]=4 2091 B11R1.222 COC(=O)c1cnccc1N TS08595 [1,1,0,0,0,0|2,0,0]=4 2092 B11R1.222 COC(=O)c1cnccc1O TS16569 [1,1,0,0,0,0|2,0,0]=4 2093 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [1,1,0,0,0,0|1,0,0]=3 2094 B11R1.222 Cc1ccccc1C(=O)C#N TS07084 [1,1,0,0,0,0|0,0,1]=3 2095 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [1,1,0,0,0,0|0,0,0]=2 2096 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [1,1,0,0,0,0|1,0,0]=3 2097 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [1,1,0,0,0,0|0,0,0]=2 2098 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [1,1,0,0,0,0|1,0,0]=3 2099 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [1,1,0,0,0,0|1,0,0]=3 2100 B11R1.222 Cc1cnccc1C(=O)OC TS90300 [1,1,0,0,0,0|1,0,0]=3 2101 B11R1.222 Cc1cnncc1C(=O)OC TS91909 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.222 c1cc(c(nc1)C(=O)CBr)O TS58699 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.222 c1ccc(c(c1)C(=O)C#N)Br TS43719 [1,1,0,0,0,0|1,0,1]=4 2104 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [1,1,0,0,0,0|1,0,1]=4 2105 B11R1.222 c1ccc(c(c1)C(=O)C#N)F TS40715 [1,1,0,0,0,0|1,0,1]=4 2106 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [1,1,0,0,0,0|1,0,0]=3 2107 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [1,1,0,0,0,0|1,0,0]=3 2108 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [1,1,0,0,0,0|1,0,0]=3 2109 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [1,1,0,0,0,0|1,0,0]=3 2110 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [1,1,0,0,0,0|1,0,0]=3 2111 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [1,1,0,0,0,0|1,0,0]=3 2112 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [1,1,0,0,0,0|2,0,0]=4 2113 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [1,1,0,0,0,0|2,0,0]=4 2116 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC TS41269 [0,1,0,0,1,0|1,0,0]=3 2121 B11R1.225 Cc1cc(c(s1)C(=O)OC)N TS86914 [0,1,0,0,1,0|2,0,0]=4 2122 B11R1.225 Cc1cc(n(n1)C(=O)CBr)C TS49208 [0,1,0,0,1,0|2,0,0]=4 2123 B11R1.672 Cc1cc(c(n1C)C)C(=O)O TS39216 [0,1,0,0,1,0|2,0,0]=4 2124 B11R1.865 Cc1csc(c1Cl)C(=O)OC TS51205 [0,1,0,0,1,0|2,0,0]=4 2125 B11R1.865 Cc1csc(c1N)C(=O)OC TS08572 [0,1,0,0,1,0|2,0,0]=4 2126 B13R1.51 CC(=O)Nc1ccc(cc1C#N)N TS45956 [0,1,0,0,0,1|1,0,1]=4 2127 B13R1.51 CC(=O)Nc1ccc(cc1OC)Br TS27099 [0,1,0,0,0,1|1,0,0]=3 2128 B13R1.51 CCc1cc(ccc1NC(=O)C)Br TS26797 [0,1,0,0,0,1|1,0,0]=3 2129 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F TS15430 [0,1,0,0,0,1|2,0,0]=4 2130 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O TS27266 [0,1,0,0,0,1|2,0,0]=4 2131 B13R1.653 COc1ccc(c(c1)F)CC(=O)O TS59969 [0,1,0,0,0,1|2,0,0]=4 2132 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Cl TS26266 [0,1,0,0,0,1|2,0,0]=4 2133 B13R1.876 CC(=O)Oc1cc(c(cc1Cl)Cl)Cl TS26402 [0,1,0,0,0,1|2,0,0]=4 2134 B13R1.876 Cc1cc(c(cc1C)I)NC(=O)C TS57998 [0,1,0,0,0,1|1,0,0]=3 2135 B13R1.876 Cc1cc(c(cc1C)NC(=S)N)C TS17944 [0,1,0,0,0,1|1,1,0]=4 2136 B13R1.876 Cc1cc(c(cc1Cl)NC(=O)C)O TS18887 [0,1,0,0,0,1|1,0,0]=3 2137 B13R1.876 Cc1cc(c(cc1F)NC(=O)C)Br TS27400 [0,1,0,0,0,1|1,0,0]=3 2138 B13R1.876 Cc1cc(c(cc1N)NC(=O)C)C TS47597 [0,1,0,0,0,1|0,0,0]=2 2139 B13R1.2679 COC(=O)Cc1ccc(cc1Br)Cl TS08553 [0,1,0,0,0,1|2,0,0]=4 2140 B13R1.2679 COC(=O)Cc1ccc(cc1Cl)Cl TS22541 [0,1,0,0,0,1|2,0,0]=4 2141 B13R1.2679 Cc1cc(ccc1NC(=O)CCl)Cl TS22323 [0,1,0,0,0,1|1,0,0]=3 2142 B13R1.2679 Cc1ccc(c(c1)Br)NC(=O)CCl TS68648 [0,1,0,0,0,1|1,0,0]=3 2143 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)OC TS14245 [0,1,0,0,0,1|0,0,0]=2 2144 B13R1.2679 Cc1ccc(c(c1)C)NC(=S)NC TS51898 [0,1,0,0,0,1|0,1,0]=3 2145 B13R1.2679 Cc1ccc(c(c1)C)NC(=S)NN TS18119 [0,1,0,0,0,1|1,1,0]=4 2146 B13R1.2679 c1cc(c(cc1Cl)Cl)NC(=O)CCl TS26269 [0,1,0,0,0,1|2,0,0]=4 2147 B13R1.2679 c1cc(c(cc1F)F)NC(=O)CCl TS20053 [0,1,0,0,0,1|2,0,0]=4 2148 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)N)Cl TS49552 [0,1,0,0,0,1|2,0,0]=4 2149 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)N)F TS38348 [0,1,0,0,0,1|2,0,0]=4 2150 B13R1.2808 CC(=O)Oc1c(cc(cc1Br)Br)Br TS66926 [0,1,0,0,0,1|2,0,0]=4 2151 B13R1.2808 Cc1cc(c(c(c1)C)CC(=N)N)C TS46181 [0,1,0,0,0,1|2,0,0]=4 2152 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)O)C TS07910 [0,1,0,0,0,1|1,0,0]=3 2153 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)O)C TS93797 [0,1,0,0,0,1|1,0,0]=3 2154 B13R1.2808 Cc1cc(c(c(c1)C)NC(=S)N)C TS17938 [0,1,0,0,0,1|1,1,0]=4 2155 B13R1.2808 Cc1cc(c(c(c1)Cl)NC(=O)C)C TS18519 [0,1,0,0,0,1|0,0,0]=2 2156 B13R1.2808 Cc1cc(c(c(c1)I)NC(=O)C)C TS57999 [0,1,0,0,0,1|0,0,0]=2 2157 B13R1.2808 Cc1cc(cc(c1NC(=O)C)Cl)Cl TS16361 [0,1,0,0,0,1|1,0,0]=3 2158 B13R1.3528 Cc1c(c(ccc1NC(=O)C)Br)C TS26792 [0,1,0,0,0,1|1,0,0]=3 2159 B13R1.3528 Cc1c(c(ccc1NC(=O)C)I)C TS58000 [0,1,0,0,0,1|1,0,0]=3 2160 B13R1.53 Cc1ccc(c(c1)OC)S(=O)(=O)Cl TS01092 [0,2,0,0,0,0|2,0,0]=4 2161 B13R1.53 Cc1ccc(c(c1)OC)S(=O)(=O)N TS38118 [0,2,0,0,0,0|2,0,0]=4 2162 B13R1.99 CC(=O)c1ccc(cc1OC)OC TS32898 [0,2,0,0,0,0|0,0,0]=2 2163 B13R1.99 CNc1cc(ccc1[N+](=O)[O-])OC TS55468 [0,2,0,0,0,0|2,0,0]=4 2164 B13R1.99 COc1cc(ccc1[N+](=O)[O-])CO TS15116 [0,2,0,0,0,0|2,0,0]=4 2165 B13R1.99 COc1ccc(c(c1)OC)C(=N)N TS49186 [0,2,0,0,0,0|2,0,0]=4 2166 B13R1.99 COc1ccc(c(c1)OC)C(=O)Cl TS19106 [0,2,0,0,0,0|1,0,0]=3 2167 B13R1.99 COc1ccc(c(c1)OC)C(=O)O TS59920 [0,2,0,0,0,0|1,0,0]=3 2168 B13R1.99 COc1ccc(c(c1)OC)C(=S)N TS18472 [0,2,0,0,0,0|1,1,0]=4 2169 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] TS15104 [0,2,0,0,0,0|2,0,0]=4 2170 B13R1.99 COc1ccc(c(c1)[N+]#N)C(=O)N TS83855 [0,2,0,0,0,0|2,0,0]=4 2171 B13R1.99 COc1ccc(c(n1)OC)C(=O)O TS59934 [0,2,0,0,0,0|2,0,0]=4 2172 B13R1.165 Cc1ccc(c(c1)C(=O)O)C(=O)O TS14541 [0,2,0,0,0,0|1,0,1]=4 2173 B13R1.165 Cc1ccc(c(c1)[N+](=O)[O-])C(=O)O TS48046 [0,2,0,0,0,0|2,0,0]=4 2174 B13R1.2065 COC(=O)c1ccc(cc1C#N)Cl TS65234 [0,2,0,0,0,0|1,0,1]=4 2175 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br TS56285 [0,2,0,0,0,0|1,0,0]=3 2176 B13R1.2065 COc1cc(ccc1C(=O)OC)Br TS62114 [0,2,0,0,0,0|1,0,0]=3 2177 B13R1.2065 COc1cc(ccc1C(=O)OC)F TS48542 [0,2,0,0,0,0|1,0,0]=3 2178 B13R1.2065 COc1cc(ccc1C(=O)OC)I TS39546 [0,2,0,0,0,0|1,0,0]=3 2179 B13R1.2065 COc1cc(ccc1C(=O)OC)N TS39544 [0,2,0,0,0,0|1,0,0]=3 2180 B13R1.2065 Cc1ccc(c(c1)OC)C(=O)OC TS32824 [0,2,0,0,0,0|0,0,0]=2 2181 B13R1.2398 COc1cc(c(cc1C(=O)O)Cl)N TS38155 [0,2,0,0,0,0|2,0,0]=4 2182 B13R1.2398 Cc1cc(c(cc1C)OC)C(=O)C TS14216 [0,2,0,0,0,0|0,0,0]=2 2183 B13R1.3158 COc1c(ccc(c1F)F)C(=O)O TS50666 [0,2,0,0,0,0|2,0,0]=4 2184 B13R1.877 Cc1cc(c(cc1C)S(=O)(=O)O)C TS19035 [0,2,0,0,0,0|2,0,0]=4 2185 B13R1.877 Cc1cc(c(cc1N)S(=O)(=O)C)C TS18848 [0,2,0,0,0,0|1,0,0]=3 2186 B13R1.877 Cc1cc(c(cc1N)S(=O)(=O)O)C TS38121 [0,2,0,0,0,0|2,0,0]=4 2187 B13R1.877 Cc1cc(c(cc1N)S(=O)(=O)[O-])C TS23647 [0,2,0,0,0,0|2,0,0]=4 2188 B13R1.884 Cc1ccc(c(c1N)C)S(=O)(=O)C TS18847 [0,2,0,0,0,0|1,0,0]=3 2189 B13R1.2809 Cc1cc(c(c(c1)C)S(=O)(=O)Cl)C TS39678 [0,2,0,0,0,0|2,0,0]=4 2190 B13R1.2809 Cc1cc(c(c(c1)C)S(=O)(=O)N)C TS18856 [0,2,0,0,0,0|2,0,0]=4 2191 B13R1.2809 Cc1cc(c(c(c1)C)S(=O)(=O)O)C TS78757 [0,2,0,0,0,0|2,0,0]=4 2192 B13R1.651 Cc1c(cc(c(=O)[nH]1)C#N)C(=O)C TS46085 [0,2,0,0,0,0|2,0,0]=4 2193 B13R1.651 Cc1cc(c(cc1OC)C(=O)C)O TS14575 [0,2,0,0,0,0|1,0,0]=3 2194 B13R1.652 COc1cc(c(cc1F)C(=O)O)N TS92046 [0,2,0,0,0,0|2,0,0]=4 2195 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)OC TS88599 [0,2,0,0,0,0|2,0,0]=4 2196 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)F TS15920 [0,2,0,0,0,0|2,0,0]=4 2197 B13R1.1807 COC(=O)c1cc(c(cc1F)F)N TS39547 [0,2,0,0,0,0|2,0,0]=4 2198 B13R1.1807 COC(=O)c1cc(c(cc1N)F)F TS56243 [0,2,0,0,0,0|2,0,0]=4 2199 B13R1.1807 COC(=O)c1cc(c(cc1O)O)Br TS62387 [0,2,0,0,0,0|2,0,0]=4 2200 B13R1.1807 COC(=O)c1cc(c(cc1O)O)I TS58449 [0,2,0,0,0,0|2,0,0]=4 2201 B13R1.1807 Cc1cc(c(cc1Br)C(=O)OC)O TS27260 [0,2,0,0,0,0|1,0,0]=3 2202 B13R1.1807 Cc1cc(c(cc1C(=O)OC)Br)C TS57811 [0,2,0,0,0,0|0,0,0]=2 2203 B13R1.1807 Cc1cc(c(cc1C(=O)OC)Br)N TS61953 [0,2,0,0,0,0|1,0,0]=3 2204 B13R1.1807 Cc1cc(c(cc1C(=O)OC)I)C TS58069 [0,2,0,0,0,0|0,0,0]=2 2205 B13R1.1807 Cc1cc(c(cc1C(=O)OC)I)N TS58138 [0,2,0,0,0,0|1,0,0]=3 2206 B13R1.1807 Cc1cc(c(cc1Cl)C(=O)CBr)O TS29965 [0,2,0,0,0,0|1,0,0]=3 2207 B13R1.1807 Cc1cc(c(cc1I)C(=O)OC)O TS58250 [0,2,0,0,0,0|1,0,0]=3 2208 B13R1.1807 Cc1cc(c(cc1N)C)C(=O)OC TS39543 [0,2,0,0,0,0|1,0,0]=3 2209 B13R1.2811 CC(=O)c1cc(c(c(c1F)F)F)F TS09221 [0,2,0,0,0,0|2,0,0]=4 2210 B13R1.2811 Cc1c(cc(c(c1F)F)C(=O)Cl)F TS43542 [0,2,0,0,0,0|2,0,0]=4 2211 B13R1.2812 Cc1c(c(cc(c1F)F)F)C(=O)O TS17008 [0,2,0,0,0,0|2,0,0]=4 2212 B13R1.2812 Cc1cc(c(c(c1C(=O)O)O)C)O TS48236 [0,2,0,0,0,0|2,0,0]=4 2213 B13R1.2812 Cc1cc(c(c(c1[N+](=O)[O-])C)Br)C TS61962 [0,2,0,0,0,0|2,0,0]=4 2214 B13R1.95 COC(=O)c1ccc(cc1Br)CBr TS02315 [0,2,0,0,0,0|1,0,0]=3 2215 B13R1.95 COc1ccc(c(c1)F)C(=O)OC TS15242 [0,2,0,0,0,0|1,0,0]=3 2216 B13R1.95 COc1ccc(c(c1)N)C(=O)OC TS56245 [0,2,0,0,0,0|1,0,0]=3 2217 B13R1.95 COc1ccc(c(c1)O)C(=O)OC TS48233 [0,2,0,0,0,0|1,0,0]=3 2218 B13R1.95 Cc1c(cnc(n1)OC)C(=O)OC TS14945 [0,2,0,0,0,0|2,0,0]=4 2219 B13R1.95 Cc1cc(ccc1C(=O)OC)OC TS14586 [0,2,0,0,0,0|0,0,0]=2 2220 B13R1.120 B(c1ccc(c(c1)F)C(=O)C)(O)O TS32621 [0,2,0,0,0,0|2,0,0]=4 2221 B13R1.120 CC(=O)c1ccc(cc1Cl)[N+](=O)[O-] TS18882 [0,2,0,0,0,0|2,0,0]=4 2222 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)O TS14774 [0,2,0,0,0,0|2,0,0]=4 2223 B13R1.120 Cc1cc(ccc1C(=O)O)[N+](=O)[O-] TS55447 [0,2,0,0,0,0|2,0,0]=4 2224 B13R1.120 Cc1cc(ccc1C(C)C)C(C)C TS46187 [0,2,0,0,0,0|1,0,1]=4 2225 B13R1.120 Cc1cc(ccc1P(=O)=O)N(C)C TS49915 [0,2,0,0,0,0|2,0,0]=4 2226 B13R1.120 Cc1cc(ccc1[P+](=O)O)N(C)C TS37714 [0,2,0,0,0,0|2,0,0]=4 2227 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C TS14611 [0,2,0,0,0,0|1,0,0]=3 2228 B13R1.385 CCOc1ccc(c(c1)O)C(=O)O TS48228 [0,2,0,0,0,0|2,0,0]=4 2229 B13R1.428 CC(=O)c1c(cc(cc1O)OC)O TS48235 [0,2,0,0,0,0|1,0,0]=3 2230 B13R1.428 COc1cc(c(c(c1)F)C(=O)O)F TS50662 [0,2,0,0,0,0|2,0,0]=4 2231 B13R1.3096 COc1ccc(c(c1F)F)C(=O)O TS02335 [0,2,0,0,0,0|2,0,0]=4 2232 B13R1.3096 COc1ccc(c(c1O)O)C(=O)O TS15240 [0,2,0,0,0,0|2,0,0]=4 2233 B13R1.3096 Cc1c(c(ccc1[N+](=O)[O-])OC)C TS02344 [0,2,0,0,0,0|2,0,0]=4 2234 B13R1.3096 Cc1c(ccc(c1N)C(=O)C)OC TS08139 [0,2,0,0,0,0|1,0,0]=3 2235 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)O TS47913 [0,2,0,0,0,0|2,0,0]=4 2236 B13R1.1808 COC(=O)c1ccc(c(c1F)F)N TS15762 [0,2,0,0,0,0|2,0,0]=4 2237 B13R1.1808 Cc1ccc(c(c1F)C)C(=O)OC TS14957 [0,2,0,0,0,0|0,0,0]=2 2238 B13R1.3230 Cc1cnc(c(c1OC)C)C(=O)O TS90760 [0,2,0,0,0,0|2,0,0]=4 2239 B13R1.4656 CCC(=O)c1c(cc(cc1C)C)C TS46152 [0,2,0,0,0,0|0,0,0]=2 2240 B13R1.4656 CCC(=O)c1c(cc(cc1F)F)F TS15913 [0,2,0,0,0,0|2,0,0]=4 2241 B13R1.4656 CCC(=O)c1c(cc(cc1O)O)O TS14933 [0,2,0,0,0,0|2,0,0]=4 2242 B13R1.4656 COC(=O)c1c(cc(cc1F)Br)F TS22720 [0,2,0,0,0,0|2,0,0]=4 2243 B13R1.4656 COC(=O)c1c(cc(cc1O)O)O TS48525 [0,2,0,0,0,0|2,0,0]=4 2244 B13R1.4656 Cc1cc(=O)oc(c1C(=O)OC)C TS48234 [0,2,0,0,0,0|2,0,0]=4 2245 B13R1.4656 Cc1cc(c(c(c1)C)C(=O)OC)C TS14248 [0,2,0,0,0,0|0,0,0]=2 2246 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)OC)O TS14916 [0,2,0,0,0,0|1,0,0]=3 2247 B13R1.1511 CCOC(=O)c1ccc(cc1C)C TS14227 [0,2,0,0,0,0|0,0,0]=2 2248 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Cl TS49545 [0,2,0,0,0,0|2,0,0]=4 2249 B13R1.1511 CCOC(=O)c1ccc(cc1F)F TS48849 [0,2,0,0,0,0|2,0,0]=4 2250 B13R1.1511 CCOC(=O)c1ccc(cc1F)I TS35661 [0,2,0,0,0,0|2,0,0]=4 2251 B13R1.1511 CCOC(=O)c1ccc(cc1F)N TS55938 [0,2,0,0,0,0|2,0,0]=4 2252 B13R1.1511 CCOC(=O)c1ccc(cc1O)O TS14917 [0,2,0,0,0,0|2,0,0]=4 2253 B13R1.1511 CCOC(=O)c1ccc(nc1C)C TS47736 [0,2,0,0,0,0|1,0,0]=3 2254 B13R1.1511 CCOC(=O)c1cnc(nc1C)C TS14623 [0,2,0,0,0,0|2,0,0]=4 2255 B13R1.1511 c1cc(c(cc1F)F)C(=O)CC#N TS14729 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.90 Cc1ccsc1C=CC(=O)O TS44886 [0,0,1,1,0,0|2,0,0]=4 2257 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,0,1,1,0,0|0,0,2]=4 2258 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [0,0,1,1,0,0|1,0,1]=4 2259 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [0,0,1,1,0,0|1,0,1]=4 2260 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,1,0,0|1,0,0]=3 2261 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,1,0,0|1,0,1]=4 2262 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,1,0,0|2,0,0]=4 2263 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [1,0,0,1,0,0|1,0,1]=4 2264 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [1,0,0,1,0,0|1,0,1]=4 2265 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [1,0,0,1,0,0|2,0,0]=4 2266 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [1,0,0,1,0,0|2,0,0]=4 2267 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,1,0,0|2,0,0]=4 2268 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [1,0,0,1,0,0|2,0,0]=4 2269 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [1,0,0,1,0,0|2,0,0]=4 2270 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,1,0,0|2,0,0]=4 2271 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [1,0,0,1,0,0|1,0,1]=4 2272 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,1,0,0|2,0,0]=4 2273 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,1,0,0|1,0,1]=4 2274 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,1,0,0|2,0,0]=4 2275 B11R2.1 CN1CCc2c1cccc2 TS36778 [1,0,0,1,0,0|2,0,0]=4 2276 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [1,0,0,1,0,0|2,0,0]=4 2277 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [1,0,0,1,0,0|2,0,0]=4 2278 B11R2.1 Cc1c2ccccc2on1 TS36752 [1,0,0,1,0,0|2,0,0]=4 2279 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [1,0,0,1,0,0|2,0,0]=4 2280 B11R2.1 Cc1coc2c1cccc2 TS36667 [1,0,0,1,0,0|2,0,0]=4 2281 B11R2.1 Cc1csc2c1cccc2 TS07495 [1,0,0,1,0,0|2,0,0]=4 2282 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [1,0,0,1,0,0|1,0,0]=3 2283 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [1,0,0,1,0,0|1,0,0]=3 2284 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [1,0,0,1,0,0|2,0,0]=4 2285 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [1,0,0,1,0,0|1,0,0]=3 2286 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [1,0,0,1,0,0|1,0,1]=4 2287 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [1,0,0,1,0,0|0,0,0]=2 2288 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [1,0,0,1,0,0|1,0,1]=4 2289 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [1,0,0,1,0,0|1,0,1]=4 2290 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [1,0,0,1,0,0|1,0,1]=4 2291 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [1,0,0,1,0,0|0,0,2]=4 2292 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [1,0,0,1,0,0|1,0,1]=4 2293 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [1,0,0,1,0,0|0,0,2]=4 2294 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [1,0,0,1,0,0|1,0,1]=4 2295 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [1,0,0,1,0,0|1,0,1]=4 2296 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [1,0,0,1,0,0|0,0,2]=4 2297 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [1,0,0,1,0,0|2,0,0]=4 2298 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [1,0,0,1,0,0|1,0,0]=3 2299 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [1,0,0,1,0,0|1,0,0]=3 2300 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [1,0,0,1,0,0|2,0,0]=4 2301 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [1,0,0,1,0,0|2,0,0]=4 2302 B11R2.1 c1cncc2c1CNC2=O TS91296 [1,0,0,1,0,0|2,0,0]=4 2303 B11R2.1 c1cncc2c1COC2=O TS05973 [1,0,0,1,0,0|2,0,0]=4 2304 B13R2.3683 Cc1ccc2c(c1)CCC(=O)C2 TS42191 [0,0,0,1,0,1|0,0,0]=2 2305 B13R2.3683 Cc1ccc2c(c1)CCC(C2)C TS42209 [0,0,0,1,0,1|1,0,1]=4 2306 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 TS42129 [0,0,0,1,0,1|0,0,2]=4 2307 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C TS41807 [0,0,0,1,0,1|1,0,1]=4 2308 B13R2.3683 c1c(cnc2c1CCC(=O)N2)Br TS22925 [0,0,0,1,0,1|2,0,0]=4 2309 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 TS22922 [0,0,0,1,0,1|1,0,0]=3 2310 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 TS22926 [0,0,0,1,0,1|1,0,0]=3 2311 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 TS33002 [0,0,0,1,0,1|2,0,0]=4 2312 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 TS32668 [0,0,0,1,0,1|1,0,0]=3 2313 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 TS18904 [0,0,0,1,0,1|2,0,0]=4 2314 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 TS42715 [0,0,0,1,0,1|1,0,0]=3 2315 B13R2.3683 c1cc2c(cc1I)CCC(=O)C2 TS33321 [0,0,0,1,0,1|1,0,0]=3 2316 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 TS11563 [0,0,0,1,0,1|1,0,0]=3 2317 B13R2.3683 c1cc2c(cc1N)CNC(=O)C2 TS01294 [0,0,0,1,0,1|2,0,0]=4 2318 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 TS42705 [0,0,0,1,0,1|2,0,0]=4 2319 B13R2.5397 Cc1cc(c2c(c1)[nH]c(n2)N)C TS42329 [0,0,0,1,0,1|2,0,0]=4 2320 B13R2.5397 Cc1cc(c2c(c1)cc(s2)C)C TS46184 [0,0,0,1,0,1|1,0,0]=3 2321 B13R2.5397 c1c(cc(c2c1CC(=O)N2)F)F TS44982 [0,0,0,1,0,1|2,0,0]=4 2322 B13R2.5179 Cc1ccc2c(c1)CCCC2=O TS42200 [0,1,0,1,0,0|0,0,0]=2 2323 B13R2.5179 Cc1ccc2c(c1)cc[nH]c2=O TS11140 [0,1,0,1,0,0|0,0,2]=4 2324 B13R2.5179 Cc1ccc2c(cccc2c1)C TS41659 [0,1,0,1,0,0|1,0,1]=4 2325 B13R2.5179 c1cc(=O)[nH]c2c1C(=O)CCC2 TS11702 [0,1,0,1,0,0|2,0,0]=4 2326 B13R2.5179 c1cc2c(cc1Br)CCCC2=O TS16484 [0,1,0,1,0,0|1,0,0]=3 2327 B13R2.5179 c1cc2c(cc1Br)CCNC2=O TS22927 [0,1,0,1,0,0|1,0,0]=3 2328 B13R2.5179 c1cc2c(cc1Br)OCCC2=O TS16500 [0,1,0,1,0,0|1,0,0]=3 2329 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O TS48007 [0,1,0,1,0,0|1,0,0]=3 2330 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O TS14848 [0,1,0,1,0,0|1,0,0]=3 2331 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O TS55675 [0,1,0,1,0,0|1,0,0]=3 2332 B13R2.5179 c1cc2c(cc1F)CCCC2=O TS01224 [0,1,0,1,0,0|1,0,0]=3 2333 B13R2.5179 c1cc2c(cc1F)CCNC2=O TS42877 [0,1,0,1,0,0|1,0,0]=3 2334 B13R2.5179 c1cc2c(cc1F)OCCC2=O TS39797 [0,1,0,1,0,0|1,0,0]=3 2335 B13R2.5179 c1cc2c(cc1I)CCCC2=O TS33323 [0,1,0,1,0,0|1,0,0]=3 2336 B13R2.5179 c1cc2c(cc1N)CCCC2=O TS01215 [0,1,0,1,0,0|1,0,0]=3 2337 B13R2.5179 c1cc2c(cc1O)CCCC2=O TS55599 [0,1,0,1,0,0|1,0,0]=3 2338 B13R2.5179 c1cc2c(cc1O)CCNC2=O TS11705 [0,1,0,1,0,0|1,0,0]=3 2339 B13R2.5187 Cc1c2ccc(cc2n(n1)C)Br TS88174 [0,1,0,1,0,0|2,0,0]=4 2340 B13R2.5187 Cc1c2ccc(cc2n(n1)C)N TS87912 [0,1,0,1,0,0|2,0,0]=4 2341 B13R2.5187 Cc1ccc2c(c1)C(=O)NC2=O TS11381 [0,1,0,1,0,0|1,0,1]=4 2342 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O TS11494 [0,1,0,1,0,0|1,0,1]=4 2343 B13R2.5187 Cc1ccc2c(c1)C(CC2=O)C TS42199 [0,1,0,1,0,0|0,0,0]=2 2344 B13R2.11634 c1c2c(cc(c1Br)N)C(=O)CC2 TS24109 [0,1,0,1,0,0|1,0,0]=3 2345 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 TS19148 [0,1,0,1,0,0|1,0,0]=3 2346 B13R2.11634 c1c2c(cc(c1F)Cl)C(=O)CC2 TS48654 [0,1,0,1,0,0|1,0,0]=3 2347 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 TS71339 [0,1,0,1,0,0|1,0,0]=3 2348 B13R2.11634 c1c2c(cc(c1F)O)C(=O)CC2 TS43015 [0,1,0,1,0,0|1,0,0]=3 2349 B13R2.11634 c1c2c(cc(c1N)Br)C(=O)CC2 TS24112 [0,1,0,1,0,0|1,0,0]=3 2350 B13R2.2130 COc1ccc2c(c1)CCC2=O TS71585 [0,1,0,1,0,0|0,0,0]=2 2351 B13R2.2130 COc1ccc2c(c1)CCC2N TS11725 [0,1,0,1,0,0|1,0,1]=4 2352 B13R2.2130 COc1ccc2c(c1)CNC2=O TS42562 [0,1,0,1,0,0|1,0,0]=3 2353 B13R2.2130 COc1ccc2c(c1)COC2=O TS42698 [0,1,0,1,0,0|1,0,0]=3 2354 B13R2.2130 Cc1c2ccc(cc2[nH]n1)OC TS11558 [0,1,0,1,0,0|2,0,0]=4 2355 B13R2.2130 Cc1c2ccc(cc2on1)OC TS11696 [0,1,0,1,0,0|2,0,0]=4 2356 B13R2.2130 c1cc2c(cc1C#N)CCC2=O TS41764 [0,1,0,1,0,0|0,0,1]=3 2357 B13R2.2130 c1cc2c(cc1C#N)COC2=O TS65156 [0,1,0,1,0,0|1,0,1]=4 2358 B13R2.2130 c1cc2c(cc1CN)CNC2=O TS92240 [0,1,0,1,0,0|1,0,0]=3 2359 B13R2.5180 c1cc(c(c2c1C(=O)CC2)F)F TS12476 [0,1,0,1,0,0|1,0,0]=3 2360 B13R2.5180 c1cc(c(c2c1C(=O)CO2)O)O TS12135 [0,1,0,1,0,0|2,0,0]=4 2361 B13R2.11642 Cc1cc(c2c(c1)CCC2=O)C TS42192 [0,1,0,1,0,0|0,0,0]=2 2362 B13R2.662 Cc1ccc2c(c1)[nH]cc2C=O TS01265 [0,1,0,1,0,0|1,0,1]=4 2363 B13R2.5190 CC1Cc2cc(ccc2C1=O)F TS42714 [0,1,0,1,0,0|1,0,0]=3 2364 B13R2.5190 CN1Cc2cc(ccc2C1=O)Br TS85254 [0,1,0,1,0,0|1,0,0]=3 2365 B13R2.5190 CN1Cc2cc(ccc2C1=O)N TS89771 [0,1,0,1,0,0|1,0,0]=3 2366 B13R2.5190 CN1c2ccc(cc2CC1=O)Br TS71398 [0,1,0,1,0,0|2,0,0]=4 2367 B13R2.5190 CN1c2ccc(cc2CC1=O)N TS86168 [0,1,0,1,0,0|2,0,0]=4 2368 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O TS42283 [0,1,0,1,0,0|1,0,1]=4 2369 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [1,0,0,0,1,0|2,0,0]=4 2370 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [1,0,0,0,1,0|2,0,0]=4 2371 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [1,0,0,0,1,0|2,0,0]=4 2372 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [1,0,0,0,1,0|2,0,0]=4 2373 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [1,0,0,0,1,0|2,0,0]=4 2374 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [1,0,0,0,1,0|2,0,0]=4 2375 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [1,0,0,0,1,0|2,0,0]=4 2376 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [1,0,0,0,1,0|2,0,0]=4 2377 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [1,0,0,0,1,0|1,0,0]=3 2378 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [1,0,0,0,1,0|2,0,0]=4 2379 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [1,0,0,0,1,0|2,0,0]=4 2380 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [1,0,0,0,1,0|2,0,0]=4 2381 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [1,0,0,0,1,0|2,0,0]=4 2382 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [1,0,0,0,1,0|2,0,0]=4 2383 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [1,0,0,0,1,0|1,0,0]=3 2384 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [1,0,0,0,1,0|2,0,0]=4 2385 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [1,0,0,0,1,0|2,0,0]=4 2386 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [1,0,0,0,1,0|2,0,0]=4 2387 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [1,0,0,0,1,0|1,0,0]=3 2388 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [1,0,0,0,1,0|2,0,0]=4 2389 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [1,0,0,0,1,0|2,0,0]=4 2390 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [1,0,0,0,1,0|1,0,0]=3 2391 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [1,0,0,0,1,0|2,0,0]=4 2392 B9R1.22 Cc1c(nc(o1)C)C=O TS05078 [1,0,0,0,1,0|2,0,0]=4 2393 B9R1.22 Cc1c(oc(n1)C)C=O TS05081 [1,0,0,0,1,0|2,0,0]=4 2394 B9R1.22 Cc1c(sc(n1)C)C=O TS37504 [1,0,0,0,1,0|2,0,0]=4 2395 B9R1.22 Cc1cc([nH]c1C=O)C TS02202 [1,0,0,0,1,0|1,0,0]=3 2396 B9R1.22 Cc1cc(c(s1)C)C=O TS37390 [1,0,0,0,1,0|1,0,0]=3 2397 B9R1.22 Cc1cc(c(s1)C=O)Br TS38754 [1,0,0,0,1,0|2,0,0]=4 2398 B9R1.22 Cc1cc(n(n1)C)C=O TS02105 [1,0,0,0,1,0|2,0,0]=4 2399 B9R1.132 Cc1c(cnn1C)C=O TS01993 [1,0,0,0,1,0|2,0,0]=4 2400 B9R1.132 Cc1c(ncn1C)C=O TS08686 [1,0,0,0,1,0|2,0,0]=4 2401 B9R1.132 Cc1c[nH]c(c1C)C=O TS88398 [1,0,0,0,1,0|1,0,0]=3 2402 B9R1.132 Cc1ncc(n1C)C=O TS08680 [1,0,0,0,1,0|2,0,0]=4 2403 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [1,0,0,0,1,0|2,0,0]=4 2404 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [1,0,0,0,1,0|2,0,0]=4 2405 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [1,0,0,0,1,0|2,0,0]=4 2406 B9R1.41 CC(=O)c1cccn1C TS04953 [1,0,0,0,1,0|1,0,0]=3 2407 B9R1.41 CC(=O)c1nccn1C TS86142 [1,0,0,0,1,0|2,0,0]=4 2408 B9R1.41 Cc1c(cco1)C(=O)Cl TS40263 [1,0,0,0,1,0|2,0,0]=4 2409 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [1,0,0,0,1,0|2,0,0]=4 2410 B9R1.41 Cc1c(ccs1)C(=O)N TS37500 [1,0,0,0,1,0|2,0,0]=4 2411 B9R1.41 Cc1c(cno1)C(=O)C TS05072 [1,0,0,0,1,0|2,0,0]=4 2412 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [1,0,0,0,1,0|2,0,0]=4 2413 B9R1.41 Cc1c(scn1)C(=O)C TS37499 [1,0,0,0,1,0|2,0,0]=4 2414 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [1,0,0,0,1,0|1,0,0]=3 2415 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [1,0,0,0,1,0|2,0,0]=4 2416 B9R1.41 Cc1ccoc1C(=O)O TS70657 [1,0,0,0,1,0|2,0,0]=4 2417 B9R1.41 Cc1ccsc1C(=O)C TS37389 [1,0,0,0,1,0|1,0,0]=3 2418 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [1,0,0,0,1,0|2,0,0]=4 2419 B9R1.41 Cc1ccsc1C(=O)N TS37501 [1,0,0,0,1,0|2,0,0]=4 2420 B9R1.41 Cc1ccsc1C(=O)O TS70685 [1,0,0,0,1,0|2,0,0]=4 2421 B9R1.41 Cn1cccc1C(=O)O TS46984 [1,0,0,0,1,0|2,0,0]=4 2422 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [1,0,0,0,0,1|1,0,0]=3 2423 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [1,0,0,0,0,1|1,0,0]=3 2424 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [1,0,0,0,0,1|1,0,0]=3 2425 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [1,0,0,0,0,1|1,0,0]=3 2426 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [1,0,0,0,0,1|1,0,0]=3 2427 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [1,0,0,0,0,1|1,0,0]=3 2428 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [1,0,0,0,0,1|1,0,0]=3 2429 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [1,0,0,0,0,1|1,0,0]=3 2430 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [1,0,0,0,0,1|1,0,0]=3 2431 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [1,0,0,0,0,1|1,0,0]=3 2432 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [1,0,0,0,0,1|1,0,0]=3 2433 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [1,0,0,0,0,1|1,0,0]=3 2434 B11R1.20 CC(=O)Nc1ccc(cn1)Br TS08255 [1,0,0,0,0,1|2,0,0]=4 2435 B11R1.20 CC(=O)Nc1ccc(cn1)F TS07931 [1,0,0,0,0,1|2,0,0]=4 2436 B11R1.20 CC(=O)Nc1ccc(cn1)I TS29744 [1,0,0,0,0,1|2,0,0]=4 2437 B11R1.20 CC(=O)Nc1ccc(cn1)N TS60254 [1,0,0,0,0,1|2,0,0]=4 2438 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [1,0,0,0,0,1|2,0,0]=4 2439 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [1,0,0,0,0,1|1,0,0]=3 2440 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [1,0,0,0,0,1|1,0,0]=3 2441 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [1,0,0,0,0,1|1,0,0]=3 2442 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [1,0,0,0,0,1|0,0,0]=2 2443 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [1,0,0,0,0,1|1,0,0]=3 2444 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [1,0,0,0,0,1|1,0,0]=3 2445 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [1,0,0,0,0,1|1,1,0]=4 2446 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [1,0,0,0,0,1|1,0,1]=4 2447 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [1,0,0,0,0,1|2,0,0]=4 2448 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [1,0,0,0,0,1|0,0,0]=2 2449 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [1,0,0,0,0,1|1,0,0]=3 2450 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [1,0,0,0,0,1|1,1,0]=4 2451 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [1,0,0,0,0,1|0,0,0]=2 2452 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [1,0,0,0,0,1|1,0,0]=3 2453 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [1,0,0,0,0,1|1,1,0]=4 2454 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [1,0,0,0,0,1|1,0,0]=3 2455 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [1,0,0,0,0,1|2,0,0]=4 2456 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [1,0,0,0,0,1|2,0,0]=4 2457 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [1,0,0,0,0,1|2,0,0]=4 2458 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [1,0,0,0,0,1|2,0,0]=4 2459 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [1,0,0,0,0,1|2,0,0]=4 2460 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [1,0,0,0,0,1|2,0,0]=4 2461 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [1,0,0,0,0,1|2,0,0]=4 2462 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [1,0,0,0,0,1|2,0,0]=4 2463 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [1,0,0,0,0,1|2,0,0]=4 2464 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [1,0,0,0,0,1|2,0,0]=4 2465 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [1,0,0,0,0,1|2,0,0]=4 2466 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [1,0,0,0,0,1|2,0,0]=4 2467 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [1,0,0,0,0,1|2,0,0]=4 2468 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [1,0,0,0,0,1|2,0,0]=4 2469 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [1,0,0,0,0,1|2,0,0]=4 2470 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [1,0,0,0,0,1|2,0,0]=4 2471 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [1,0,0,0,0,1|2,0,0]=4 2472 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [1,0,0,0,0,1|2,0,0]=4 2473 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [1,0,0,0,0,1|1,0,0]=3 2474 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [1,0,0,0,0,1|1,0,0]=3 2475 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [1,0,0,0,0,1|1,0,0]=3 2476 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [1,0,0,0,0,1|2,0,0]=4 2477 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [1,0,0,0,0,1|1,0,0]=3 2478 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [1,0,0,0,0,1|1,0,0]=3 2479 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [1,0,0,0,0,1|1,0,0]=3 2480 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [1,0,0,0,0,1|1,0,0]=3 2481 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [1,0,0,0,0,1|1,0,0]=3 2482 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [1,0,0,0,0,1|1,0,0]=3 2483 B11R1.86 CC(=O)Oc1ccc[nH]c1=O TS41242 [1,0,0,0,0,1|2,0,0]=4 2484 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [1,0,0,0,0,1|1,0,0]=3 2485 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [1,0,0,0,0,1|1,0,0]=3 2486 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [1,0,0,0,0,1|0,0,0]=2 2487 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [1,0,0,0,0,1|1,0,0]=3 2488 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [1,0,0,0,0,1|1,0,0]=3 2489 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [1,0,0,0,0,1|2,0,0]=4 2490 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [1,0,0,0,0,1|2,0,0]=4 2491 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [1,0,0,0,0,1|0,0,0]=2 2492 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [1,0,0,0,0,1|1,0,0]=3 2493 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [1,0,0,0,0,1|1,1,0]=4 2494 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [1,0,0,0,0,1|1,0,0]=3 2495 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [1,0,0,0,0,1|2,0,0]=4 2496 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [1,0,0,0,0,1|2,0,0]=4 2497 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [1,0,0,0,0,1|2,0,0]=4 2498 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [1,0,0,0,0,1|2,0,0]=4 2499 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [1,0,0,0,0,1|2,0,0]=4 2500 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [1,0,0,0,0,1|2,0,0]=4 2501 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [1,0,0,0,0,1|2,0,0]=4 2502 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [1,0,0,0,0,1|2,0,0]=4 2503 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [1,0,0,0,0,1|2,0,0]=4 2504 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [1,0,0,0,0,1|2,0,0]=4 2505 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [1,0,0,0,0,1|2,0,0]=4 2506 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br TS02193 [0,0,0,0,1,1|2,0,0]=4 2507 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [0,0,0,0,1,1|2,0,0]=4 2508 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [0,0,0,0,1,1|2,0,0]=4 2509 B11R1.74 CC(=O)c1cc(cc(c1)F)F TS08667 [0,0,0,0,1,1|2,0,0]=4 2510 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [0,0,0,0,1,1|2,0,0]=4 2511 B11R1.74 Cc1cc(cc(c1)C(=N)N)C TS40672 [0,0,0,0,1,1|2,0,0]=4 2512 B11R1.74 Cc1cc(cc(c1)C(=O)C)C TS65809 [0,0,0,0,1,1|0,0,0]=2 2513 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C TS65812 [0,0,0,0,1,1|1,0,0]=3 2514 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,0,0,0,1,1|1,0,0]=3 2515 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,0,0,0,1,1|2,0,0]=4 2516 B11R1.74 Cc1cc(cc(c1)N(=O)=O)C TS10038 [0,0,0,0,1,1|2,0,0]=4 2517 B11R1.74 Cc1cc(cc(c1)N(C)C)C TS40787 [0,0,0,0,1,1|2,0,0]=4 2518 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,0,0,0,1,1|2,0,0]=4 2519 B11R1.74 Cc1cc(cc(c1)[C@@H](C)N)C TS07615 [0,0,0,0,1,1|1,0,1]=4 2520 B11R1.74 Cc1cc(cc(c1)[C@H](C)N)C TS40781 [0,0,0,0,1,1|1,0,1]=4 2521 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [0,0,0,0,1,1|2,0,0]=4 2522 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [0,0,0,0,1,1|2,0,0]=4 2523 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [0,0,0,0,1,1|2,0,0]=4 2524 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [0,0,0,0,1,1|2,0,0]=4 2525 B11R1.74 Cc1cc(oc(=O)c1)C(=O)N TS41250 [0,0,0,0,1,1|2,0,0]=4 2526 B13R1.164 Cc1cc(ccc1OCC(=O)O)Cl TS19108 [0,0,0,0,0,2|2,0,0]=4 2527 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Cl TS26284 [0,0,0,0,0,2|2,0,0]=4 2528 B13R1.164 Cc1ccc(c(c1)C)C=CC(=O)O TS46115 [0,0,0,0,0,2|1,0,0]=3 2529 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)O TS47885 [0,0,0,0,0,2|1,0,0]=3