0 B10R1.25 C#Cc1ccc(cc1F)Br TS18764 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.25 CC1C=C(CCC1C=O)C TS37211 [0,0,0,0,0,0|0,0,4]=4 3 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.25 CCc1ccc(cc1O)O TS06247 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.25 CCc1ccc(nc1N)C TS06103 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.25 CCc1cnc(cc1N)C TS03292 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.25 CNc1ccc(cc1F)F TS40063 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.25 COc1ccc(cc1Br)Br TS73450 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.25 COc1ccc(cc1Br)F TS55106 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.25 COc1ccc(cc1Cl)F TS09271 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.25 COc1ccc(cc1Cl)N TS10908 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.25 COc1ccc(cc1F)Br TS60384 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.25 COc1ccc(cc1F)Cl TS39482 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.25 COc1ccc(cc1F)F TS09234 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.25 COc1ccc(cc1F)N TS02745 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.25 COc1ccc(cc1F)O TS02753 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.25 COc1ccc(cc1F)S TS10975 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.25 COc1ccc(cc1I)Cl TS39489 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.25 COc1ccc(cc1I)N TS39440 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.25 COc1ccc(cc1I)N TS54863 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.25 COc1ccc(cc1N)Br TS38194 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.25 COc1ccc(cc1N)Cl TS03051 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.25 COc1ccc(cc1N)Cl TS10909 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.25 COc1ccc(cc1N)Cl TS17765 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.25 COc1ccc(cc1N)F TS07833 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.25 COc1ccc(cc1N)I TS65363 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.25 COc1ccc(cc1N)N TS37199 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.25 COc1ccc(cc1N)N TS43949 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.25 COc1ccc(cc1N)N TS56780 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.25 COc1ccc(cc1O)Br TS85281 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.25 COc1ccc(cc1O)F TS07835 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.25 COc1ccc(cc1O)N TS37282 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.25 COc1ccc(cc1O)O TS06433 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.25 COc1ccc(cc1S)F TS10974 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.25 Cc1c(ccc(n1)Br)C#N TS85501 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.25 Cc1c(ccc(n1)Cl)C#N TS60094 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.25 Cc1c(ccc(n1)F)C#N TS36975 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.25 Cc1c(ccc(n1)F)CO TS06581 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.25 Cc1c(ccc(n1)N)C#N TS05826 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.25 Cc1c(ccc(n1)N)CN TS06202 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.25 Cc1cc(c(cn1)C#N)Cl TS10257 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,0,0,0,0,0|1,0,0]=1 56 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,0,0,0,0,0|1,0,0]=1 57 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.25 Cc1cc(ccc1CN)F TS37292 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.25 Cc1cc(ccc1CO)F TS06460 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.25 Cc1cc(ccc1NN)F TS37376 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.25 Cc1cc(cnc1C#N)N TS36755 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.25 Cc1cc(cnc1C#N)O TS08755 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.25 Cc1cc(cnc1OC)F TS39347 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.25 Cc1cc(ncc1C#N)C TS05752 [0,0,0,0,0,0|2,0,1]=3 76 B10R1.25 Cc1cc(ncc1C#N)N TS36767 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.25 Cc1ccc(c(=O)[nH]1)C#N TS32937 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,0,0,0,0,0|1,0,0]=1 81 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [0,0,0,0,0,0|1,0,1]=2 84 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,0,0,0,0,0|1,0,0]=1 85 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,0,0,0,0,0|0,0,0]=0 86 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [0,0,0,0,0,0|1,0,1]=2 87 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [0,0,0,0,0,0|1,0,1]=2 88 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [0,0,0,0,0,0|1,0,1]=2 89 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [0,0,0,0,0,0|0,0,2]=2 90 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,0,0,0,0,0|1,0,0]=1 97 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [0,0,0,0,0,0|2,0,1]=3 103 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,0,0,0,0,0|1,0,0]=1 104 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.25 Cc1ccc(c(n1)Br)C#N TS90324 [0,0,0,0,0,0|3,0,1]=4 106 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,0,0,0,0,0|1,0,0]=1 108 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [0,0,0,0,0,0|1,0,2]=3 109 B10R1.25 Cc1ccc(c(n1)Cl)C#N TS46397 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.25 Cc1ccc(c(n1)F)C#N TS36974 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [0,0,0,0,0,0|2,0,0]=2 113 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.25 Cc1ncc(c(n1)N)C=S TS45014 [0,0,0,0,0,0|3,1,0]=4 115 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Br TS49173 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.25 [C-]#[N+]c1ccc(cc1F)Br TS18922 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)C=O TS02258 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.25 c1c(c(nc(n1)Cl)Cl)C=O TS87087 [0,0,0,0,0,0|4,0,0]=4 120 B10R1.25 c1c(c(nc(n1)N)N)C=O TS37164 [0,0,0,0,0,0|4,0,0]=4 121 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl TS85689 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.25 c1cc(c(cc1Br)Cl)C#N TS60048 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [0,0,0,0,0,0|2,0,0]=2 125 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [0,0,0,0,0,0|2,0,0]=2 126 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [0,0,0,0,0,0|3,0,1]=4 127 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [0,0,0,0,0,0|3,0,1]=4 128 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [0,0,0,0,0,0|3,0,1]=4 129 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [0,0,0,0,0,0|2,0,2]=4 130 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [0,0,0,0,0,0|2,1,1]=4 131 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [0,0,0,0,0,0|3,0,1]=4 132 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [0,0,0,0,0,0|2,0,0]=2 133 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [0,0,0,0,0,0|2,0,2]=4 134 B10R1.25 c1cc(c(cc1Cl)Br)C#N TS49172 [0,0,0,0,0,0|3,0,1]=4 135 B10R1.25 c1cc(c(cc1Cl)Cl)C#N TS13096 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [0,0,0,0,0,0|2,0,0]=2 137 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [0,0,0,0,0,0|3,0,1]=4 138 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [0,0,0,0,0,0|2,0,2]=4 140 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [0,0,0,0,0,0|2,1,1]=4 141 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS45715 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS68438 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [0,0,0,0,0,0|2,0,0]=2 144 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [0,0,0,0,0,0|3,0,1]=4 145 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [0,0,0,0,0,0|3,0,1]=4 146 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [0,0,0,0,0,0|3,0,1]=4 147 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [0,0,0,0,0,0|3,0,1]=4 148 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [0,0,0,0,0,0|2,0,2]=4 149 B10R1.25 c1cc(c(cc1Cl)F)NN TS39487 [0,0,0,0,0,0|4,0,0]=4 150 B10R1.25 c1cc(c(cc1Cl)F)NN TS42240 [0,0,0,0,0,0|4,0,0]=4 151 B10R1.25 c1cc(c(cc1Cl)N)C#N TS41211 [0,0,0,0,0,0|3,0,1]=4 152 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [0,0,0,0,0,0|2,0,0]=2 153 B10R1.25 c1cc(c(cc1F)Br)C#N TS08317 [0,0,0,0,0,0|3,0,1]=4 154 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [0,0,0,0,0,0|2,0,0]=2 155 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [0,0,0,0,0,0|3,0,1]=4 156 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [0,0,0,0,0,0|3,0,1]=4 157 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [0,0,0,0,0,0|2,0,2]=4 158 B10R1.25 c1cc(c(cc1F)Cl)C#N TS85439 [0,0,0,0,0,0|3,0,1]=4 159 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [0,0,0,0,0,0|2,0,0]=2 160 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [0,0,0,0,0,0|3,0,1]=4 161 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [0,0,0,0,0,0|3,0,1]=4 162 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [0,0,0,0,0,0|3,0,1]=4 163 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [0,0,0,0,0,0|2,0,2]=4 164 B10R1.25 c1cc(c(cc1F)Cl)NN TS18403 [0,0,0,0,0,0|4,0,0]=4 165 B10R1.25 c1cc(c(cc1F)F)C#N TS00631 [0,0,0,0,0,0|3,0,1]=4 166 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [0,0,0,0,0,0|2,0,0]=2 167 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [0,0,0,0,0,0|3,0,1]=4 168 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [0,0,0,0,0,0|3,0,1]=4 169 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [0,0,0,0,0,0|2,0,2]=4 170 B10R1.25 c1cc(c(cc1F)F)NN TS47218 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.25 c1cc(c(cc1F)F)NN TS47219 [0,0,0,0,0,0|4,0,0]=4 172 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [0,0,0,0,0,0|3,0,1]=4 173 B10R1.25 c1cc(c(cc1F)N)C#N TS00752 [0,0,0,0,0,0|3,0,1]=4 174 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [0,0,0,0,0,0|3,0,1]=4 175 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [0,0,0,0,0,0|3,0,1]=4 176 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [0,0,0,0,0,0|2,0,0]=2 177 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [0,0,0,0,0,0|2,0,0]=2 178 B10R1.25 c1cc(c(cc1I)F)C#N TS09295 [0,0,0,0,0,0|3,0,1]=4 179 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [0,0,0,0,0,0|2,0,0]=2 180 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [0,0,0,0,0,0|3,0,1]=4 181 B10R1.25 c1cc(c(cc1N)F)C#N TS71089 [0,0,0,0,0,0|3,0,1]=4 182 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [0,0,0,0,0,0|3,0,1]=4 183 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [0,0,0,0,0,0|2,0,0]=2 184 B10R1.25 c1cc(c(cc1O)F)C#N TS09292 [0,0,0,0,0,0|3,0,1]=4 185 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [0,0,0,0,0,0|2,0,0]=2 186 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [0,0,0,0,0,0|3,0,1]=4 187 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [0,0,0,0,0,0|2,0,0]=2 188 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [0,0,0,0,0,0|2,0,2]=4 189 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [0,0,0,0,0,0|3,0,0]=3 190 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [0,0,0,0,0,0|3,0,0]=3 191 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [0,0,0,0,0,0|3,0,0]=3 192 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [0,0,0,0,0,0|3,0,0]=3 193 B10R1.25 c1cc(nc(c1N=O)N)N TS37163 [0,0,0,0,0,0|4,0,0]=4 194 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.1 C#Cc1ccc(cc1)F TS07664 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.1 C#Cc1ccc(cc1)N TS04675 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.1 C#Cc1ccc(cc1)O TS71112 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.1 CCc1ccc(cc1)Br TS01944 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.1 CCc1ccc(cc1)Cl TS37449 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.1 CCc1ccc(cc1)F TS05030 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.1 CCc1ccc(cc1)I TS25158 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.1 CCc1ccc(cc1)N TS04870 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.1 CCc1ccc(cc1)O TS04905 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.1 CCc1ccc(cc1)S TS06298 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.1 CCc1ccc(nc1)C TS32477 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.1 CNc1ccc(cc1)Br TS48830 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.1 CNc1ccc(cc1)Cl TS37534 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.1 CNc1ccc(cc1)F TS36055 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.1 CNc1ccc(cc1)I TS32640 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.1 CNc1ccc(cc1)N TS04921 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.1 CNc1ccc(cc1)N TS17998 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.1 CNc1ccc(cc1)O TS04963 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.1 CNc1ccc(cc1)O TS78698 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.1 COc1ccc(cc1)Cl TS37682 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.1 COc1ccc(cc1)F TS32969 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.1 COc1ccc(cc1)I TS59516 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.1 COc1ccc(cc1)N TS01634 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.1 COc1ccc(cc1)N TS11193 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.1 COc1ccc(cc1)N TS93025 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.1 COc1ccc(cc1)O TS02083 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.1 COc1ccc(cc1)S TS06486 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.1 CSc1ccc(cc1)F TS06687 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.1 CSc1ccc(cc1)I TS27986 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.1 CSc1ccc(cc1)N TS06394 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.1 CSc1ccc(cc1)O TS37396 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.1 CSc1ccc(cc1)S TS41710 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.1 Cc1ccc(cc1)C#C TS32874 [1,0,0,0,0,0|1,0,1]=3 240 B9R1.1 Cc1ccc(cc1)C#N TS04679 [1,0,0,0,0,0|1,0,1]=3 241 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,0,0,0,0,0|1,0,0]=2 242 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,0,0,0,0,0|0,0,0]=1 243 B9R1.1 Cc1ccc(cc1)CBr TS03170 [1,0,0,0,0,0|1,0,1]=3 244 B9R1.1 Cc1ccc(cc1)CCl TS37455 [1,0,0,0,0,0|1,0,1]=3 245 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,0,0,0,0,0|1,0,1]=3 246 B9R1.1 Cc1ccc(cc1)CO TS04902 [1,0,0,0,0,0|0,0,2]=3 247 B9R1.1 Cc1ccc(cc1)CS TS06300 [1,0,0,0,0,0|0,1,1]=3 248 B9R1.1 Cc1ccc(cc1)NC TS32470 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,0,0,0,0,0|2,0,0]=3 250 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.1 Cc1ccc(cc1)OC TS04894 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.1 Cc1ccc(cn1)C#N TS03281 [1,0,0,0,0,0|2,0,1]=4 256 B9R1.1 Cc1ccc(cn1)C=C TS55464 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.1 Cc1ccc(cn1)C=O TS01266 [1,0,0,0,0,0|1,0,0]=2 258 B9R1.1 Cc1ccc(cn1)CN TS88042 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.1 Cc1ccc(cn1)NN TS32994 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.1 Cc1ccc(cn1)NN TS94799 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.1 Cc1ccc(cn1)OC TS04979 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.1 Cc1ccc(nc1)C#N TS55297 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.1 Cc1ccc(nc1)C=O TS01160 [1,0,0,0,0,0|1,0,0]=2 264 B9R1.1 Cc1ccc(nc1)CN TS08057 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.1 Cc1cnc(cn1)C=C TS04818 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.1 Cc1cnc(cn1)C=O TS88939 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.1 Cc1cnc(nc1)C=O TS90871 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.1 Cc1ncc(cn1)C=O TS08763 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.1 c1c(cnc(n1)C=O)Cl TS88591 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.1 c1c(cnc(n1)C=O)F TS89712 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.1 c1cc(ccc1C#N)Br TS09595 [1,0,0,0,0,0|2,0,1]=4 278 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.1 c1cc(ccc1C#N)F TS93132 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.1 c1cc(ccc1C#N)I TS09717 [1,0,0,0,0,0|2,0,1]=4 281 B9R1.1 c1cc(ccc1C#N)N TS70912 [1,0,0,0,0,0|2,0,1]=4 282 B9R1.1 c1cc(ccc1C#N)O TS03063 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.1 c1cc(ccc1C#N)S TS03071 [1,0,0,0,0,0|2,0,1]=4 284 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [1,0,0,0,0,0|2,0,1]=4 285 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,0,0,0,0,0|1,0,0]=2 286 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,0,0,0,0,0|1,0,0]=2 287 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,0,0,0,0,0|1,0,0]=2 288 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,0,0,0,0,0|1,0,0]=2 289 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,0,0,0,0,0|1,0,0]=2 290 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,0,0,0,0,0|1,0,0]=2 291 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,0,0,0,0,0|1,0,0]=2 292 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,0,0,0,0,0|1,0,0]=2 293 B9R1.1 c1cc(ccc1CBr)Br TS09598 [1,0,0,0,0,0|2,0,1]=4 294 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [1,0,0,0,0,0|2,0,1]=4 295 B9R1.1 c1cc(ccc1CBr)F TS03088 [1,0,0,0,0,0|2,0,1]=4 296 B9R1.1 c1cc(ccc1CBr)I TS09718 [1,0,0,0,0,0|2,0,1]=4 297 B9R1.1 c1cc(ccc1CBr)O TS16899 [1,0,0,0,0,0|2,0,1]=4 298 B9R1.1 c1cc(ccc1CCl)Br TS16774 [1,0,0,0,0,0|2,0,1]=4 299 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [1,0,0,0,0,0|2,0,1]=4 300 B9R1.1 c1cc(ccc1CCl)F TS07044 [1,0,0,0,0,0|2,0,1]=4 301 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,0,0,0,0,0|2,0,1]=4 302 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,0,0,0,0,0|2,0,1]=4 305 B9R1.1 c1cc(ccc1CN)F TS03087 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.1 c1cc(ccc1CN)F TS42359 [1,0,0,0,0,0|2,0,1]=4 307 B9R1.1 c1cc(ccc1CN)I TS07803 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.1 c1cc(ccc1CN)I TS73917 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.1 c1cc(ccc1CN)N TS32510 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.1 c1cc(ccc1CN)O TS38524 [1,0,0,0,0,0|2,0,1]=4 311 B9R1.1 c1cc(ccc1CN)O TS71170 [1,0,0,0,0,0|2,0,1]=4 312 B9R1.1 c1cc(ccc1CO)Br TS16773 [1,0,0,0,0,0|1,0,2]=4 313 B9R1.1 c1cc(ccc1CO)Cl TS37684 [1,0,0,0,0,0|1,0,2]=4 314 B9R1.1 c1cc(ccc1CO)F TS36109 [1,0,0,0,0,0|1,0,2]=4 315 B9R1.1 c1cc(ccc1CO)I TS02234 [1,0,0,0,0,0|1,0,2]=4 316 B9R1.1 c1cc(ccc1CO)N TS70914 [1,0,0,0,0,0|1,0,2]=4 317 B9R1.1 c1cc(ccc1CO)O TS46479 [1,0,0,0,0,0|1,0,2]=4 318 B9R1.1 c1cc(ccc1CO)S TS37388 [1,0,0,0,0,0|1,0,2]=4 319 B9R1.1 c1cc(ccc1CS)Br TS19522 [1,0,0,0,0,0|1,1,1]=4 320 B9R1.1 c1cc(ccc1CS)Cl TS42005 [1,0,0,0,0,0|1,1,1]=4 321 B9R1.1 c1cc(ccc1CS)F TS06684 [1,0,0,0,0,0|1,1,1]=4 322 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [1,0,0,0,0,0|2,0,1]=4 323 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.1 c1cc(ccc1NN)I TS53552 [1,0,0,0,0,0|3,0,0]=4 329 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [1,0,0,0,0,0|3,0,0]=4 330 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.1 c1cc(ncc1Br)C=O TS71427 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.1 c1cc(ncc1C=O)Br TS16478 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.1 c1cc(ncc1C=O)F TS01040 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.1 c1cc(ncc1C=O)N TS87752 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.1 c1cc(ncc1C=O)O TS55611 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.1 c1cc(ncc1F)C=O TS60090 [1,0,0,0,0,0|2,0,0]=3 340 B9R1.1 c1cc(ncc1O)C=O TS03343 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.1 c1cn(=O)ccc1C=O TS32549 [1,0,0,0,0,0|2,0,0]=3 343 B9R1.15 C#Cc1ccccc1Br TS48023 [1,0,0,0,0,0|2,0,1]=4 344 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,0,0,0,0,0|2,0,1]=4 345 B9R1.15 C#Cc1ccccc1F TS77181 [1,0,0,0,0,0|2,0,1]=4 346 B9R1.15 C#Cc1ccccc1O TS55318 [1,0,0,0,0,0|2,0,1]=4 347 B9R1.15 C=Cc1ccccc1Br TS55173 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.15 C=Cc1ccccc1F TS32504 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.15 C=Cc1ccccc1I TS24807 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.15 CCc1ccccc1Br TS15420 [1,0,0,0,0,0|2,0,1]=4 352 B9R1.15 CCc1ccccc1C TS16337 [1,0,0,0,0,0|1,0,1]=3 353 B9R1.15 CCc1ccccc1Cl TS37450 [1,0,0,0,0,0|2,0,1]=4 354 B9R1.15 CCc1ccccc1I TS25157 [1,0,0,0,0,0|2,0,1]=4 355 B9R1.15 CCc1ccccc1N TS32474 [1,0,0,0,0,0|2,0,1]=4 356 B9R1.15 CCc1ccccc1O TS04900 [1,0,0,0,0,0|2,0,1]=4 357 B9R1.15 CCc1ccccc1S TS06304 [1,0,0,0,0,0|2,0,1]=4 358 B9R1.15 CCc1cccnc1C TS32475 [1,0,0,0,0,0|2,0,1]=4 359 B9R1.15 CCc1ccncc1C TS32464 [1,0,0,0,0,0|2,0,1]=4 360 B9R1.15 CCc1cnccc1C TS32480 [1,0,0,0,0,0|2,0,1]=4 361 B9R1.15 CNc1ccccc1Cl TS37531 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.15 CNc1ccccc1F TS56413 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.15 CNc1ccccc1N TS01587 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.15 CNc1ccccc1N TS41998 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.15 CNc1ccccc1N TS60152 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.15 CNc1ccccc1O TS04968 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.15 COc1ccccc1Br TS00023 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.15 COc1ccccc1Cl TS37688 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.15 COc1ccccc1F TS60288 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.15 COc1ccccc1I TS09308 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.15 COc1ccccc1N TS29238 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.15 COc1ccccc1N TS59329 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.15 COc1ccccc1P TS06425 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.15 COc1ccccc1S TS37393 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.15 CSc1ccccc1Br TS19526 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.15 CSc1ccccc1Cl TS42002 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.15 CSc1ccccc1F TS06689 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.15 CSc1ccccc1I TS27990 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.15 CSc1ccccc1O TS37395 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.15 Cc1c(cccn1)C#N TS60304 [1,0,0,0,0,0|2,0,1]=4 383 B9R1.15 Cc1c(cccn1)C=O TS02436 [1,0,0,0,0,0|1,0,0]=2 384 B9R1.15 Cc1c(cccn1)CBr TS87803 [1,0,0,0,0,0|2,0,1]=4 385 B9R1.15 Cc1c(cccn1)CCl TS90028 [1,0,0,0,0,0|2,0,1]=4 386 B9R1.15 Cc1c(cccn1)CN TS32520 [1,0,0,0,0,0|2,0,1]=4 387 B9R1.15 Cc1c(cccn1)CO TS04969 [1,0,0,0,0,0|1,0,2]=4 388 B9R1.15 Cc1c(cccn1)OC TS04964 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.15 Cc1c(nccn1)C=O TS86293 [1,0,0,0,0,0|2,0,0]=3 390 B9R1.15 Cc1ccccc1C#C TS02442 [1,0,0,0,0,0|1,0,1]=3 391 B9R1.15 Cc1ccccc1C#N TS04680 [1,0,0,0,0,0|1,0,1]=3 392 B9R1.15 Cc1ccccc1C=C TS02453 [1,0,0,0,0,0|1,0,0]=2 393 B9R1.15 Cc1ccccc1C=O TS04808 [1,0,0,0,0,0|0,0,0]=1 394 B9R1.15 Cc1ccccc1CBr TS01133 [1,0,0,0,0,0|1,0,1]=3 395 B9R1.15 Cc1ccccc1CCl TS37456 [1,0,0,0,0,0|1,0,1]=3 396 B9R1.15 Cc1ccccc1CN TS04867 [1,0,0,0,0,0|1,0,1]=3 397 B9R1.15 Cc1ccccc1CO TS04907 [1,0,0,0,0,0|0,0,2]=3 398 B9R1.15 Cc1ccccc1CS TS06308 [1,0,0,0,0,0|0,1,1]=3 399 B9R1.15 Cc1ccccc1NC TS32471 [1,0,0,0,0,0|2,0,0]=3 400 B9R1.15 Cc1ccccc1NN TS60156 [1,0,0,0,0,0|2,0,0]=3 401 B9R1.15 Cc1ccccc1OC TS32508 [1,0,0,0,0,0|2,0,0]=3 402 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.15 Cc1cccnc1C#N TS55290 [1,0,0,0,0,0|2,0,1]=4 405 B9R1.15 Cc1cccnc1C=O TS70677 [1,0,0,0,0,0|1,0,0]=2 406 B9R1.15 Cc1cccnc1CCl TS91176 [1,0,0,0,0,0|2,0,1]=4 407 B9R1.15 Cc1cccnc1CN TS32513 [1,0,0,0,0,0|2,0,1]=4 408 B9R1.15 Cc1cccnc1CO TS04977 [1,0,0,0,0,0|1,0,2]=4 409 B9R1.15 Cc1cccnc1OC TS04965 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.15 Cc1ccncc1C#N TS66015 [1,0,0,0,0,0|2,0,1]=4 411 B9R1.15 Cc1ccncc1C=O TS32454 [1,0,0,0,0,0|1,0,0]=2 412 B9R1.15 Cc1ccncc1CCl TS88594 [1,0,0,0,0,0|2,0,1]=4 413 B9R1.15 Cc1ccncc1CN TS04915 [1,0,0,0,0,0|2,0,1]=4 414 B9R1.15 Cc1ccncc1CO TS04980 [1,0,0,0,0,0|1,0,2]=4 415 B9R1.15 Cc1ccncc1NC TS04920 [1,0,0,0,0,0|3,0,0]=4 416 B9R1.15 Cc1cnccc1C#N TS88896 [1,0,0,0,0,0|2,0,1]=4 417 B9R1.15 Cc1cnccc1C=O TS02833 [1,0,0,0,0,0|1,0,0]=2 418 B9R1.15 Cc1cnccc1CCl TS89010 [1,0,0,0,0,0|2,0,1]=4 419 B9R1.15 Cc1cnccc1CN TS32519 [1,0,0,0,0,0|2,0,1]=4 420 B9R1.15 Cc1cnccc1CO TS91100 [1,0,0,0,0,0|1,0,2]=4 421 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [1,0,0,0,0,0|2,0,0]=3 424 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [1,0,0,0,0,0|2,0,0]=3 425 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [1,0,0,0,0,0|2,0,0]=3 426 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [1,0,0,0,0,0|2,0,0]=3 427 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,0,0,0,0,0|2,0,0]=3 428 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [1,0,0,0,0,0|2,0,0]=3 429 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [1,0,0,0,0,0|2,0,0]=3 430 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,0,0,0,0,0|2,0,0]=3 431 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,0,0,0,0,0|2,0,1]=4 432 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,0,0,0,0,0|2,0,1]=4 433 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,0,0,0,0,0|2,0,1]=4 434 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,0,0,0,0,0|2,0,1]=4 435 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,0,0,0,0,0|2,0,1]=4 436 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,0,0,0,0,0|2,0,1]=4 437 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,0,0,0,0,0|2,0,1]=4 438 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,0,0,0,0,0|1,0,0]=2 439 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,0,0,0,0,0|1,0,0]=2 440 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,0,0,0,0,0|1,0,0]=2 441 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,0,0,0,0,0|1,0,0]=2 442 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,0,0,0,0,0|1,0,0]=2 443 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,0,0,0,0,0|1,0,0]=2 444 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,0,0,0,0,0|1,0,0]=2 445 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,0,0,0,0,0|2,0,1]=4 446 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,0,0,0,0,0|2,0,1]=4 447 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,0,0,0,0,0|2,0,1]=4 448 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,0,0,0,0,0|2,0,1]=4 449 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,0,0,0,0,0|2,0,1]=4 450 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,0,0,0,0,0|2,0,1]=4 451 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,0,0,0,0,0|2,0,1]=4 452 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,0,0,0,0,0|2,0,1]=4 453 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,0,0,0,0,0|2,0,1]=4 454 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,0,0,0,0,0|2,0,1]=4 455 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,0,0,0,0,0|2,0,1]=4 456 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,0,0,0,0,0|2,0,1]=4 457 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,0,0,0,0,0|2,0,1]=4 458 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,0,0,0,0,0|2,0,1]=4 459 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,0,0,0,0,0|2,0,1]=4 460 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,0,0,0,0,0|1,0,2]=4 461 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,0,0,0,0,0|1,0,2]=4 462 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,0,0,0,0,0|1,0,2]=4 463 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,0,0,0,0,0|1,0,2]=4 464 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,0,0,0,0,0|1,0,2]=4 465 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,0,0,0,0,0|1,0,2]=4 466 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,0,0,0,0,0|1,0,2]=4 467 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,0,0,0,0,0|1,1,1]=4 468 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,0,0,0,0,0|1,1,1]=4 469 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,0,0,0,0,0|1,1,1]=4 470 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,0,0,0,0,0|3,0,0]=4 471 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,0,0,0,0,0|3,0,0]=4 472 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,0,0,0,0,0|3,0,0]=4 473 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,0,0,0,0,0|3,0,0]=4 474 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,0,0,0,0,0|3,0,0]=4 475 B9R1.15 c1cnc(c(n1)C=O)Cl TS66006 [1,0,0,0,0,0|3,0,0]=4 476 B9R1.15 c1cnc(c(n1)C=O)N TS85705 [1,0,0,0,0,0|3,0,0]=4 477 B9R1.15 c1cncc(c1Br)C=O TS09580 [1,0,0,0,0,0|2,0,0]=3 478 B9R1.15 c1cncc(c1C=O)Br TS48819 [1,0,0,0,0,0|2,0,0]=3 479 B9R1.15 c1cncc(c1C=O)Cl TS02716 [1,0,0,0,0,0|2,0,0]=3 480 B9R1.15 c1cncc(c1C=O)F TS36047 [1,0,0,0,0,0|2,0,0]=3 481 B9R1.15 c1cncc(c1C=O)N TS32500 [1,0,0,0,0,0|2,0,0]=3 482 B9R1.15 c1cncc(c1C=O)O TS02800 [1,0,0,0,0,0|2,0,0]=3 483 B9R1.15 c1cncc(c1Cl)C=O TS09675 [1,0,0,0,0,0|2,0,0]=3 484 B9R1.15 c1cncc(c1F)C=O TS33163 [1,0,0,0,0,0|2,0,0]=3 485 B9R1.15 c1cncc(c1N)C=O TS70883 [1,0,0,0,0,0|2,0,0]=3 486 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [1,0,0,0,0,0|2,0,0]=3 487 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [1,0,0,0,0,0|2,0,0]=3 488 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [1,0,0,0,0,0|1,0,0]=2 489 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [1,0,0,0,0,0|3,0,0]=4 490 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [1,0,0,0,0,0|3,0,0]=4 491 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [1,0,0,0,0,0|3,0,0]=4 492 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [1,0,0,0,0,0|3,0,0]=4 493 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [1,0,0,0,0,0|3,0,0]=4 494 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [1,0,0,0,0,0|3,0,0]=4 495 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [1,0,0,0,0,0|3,0,0]=4 496 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [1,0,0,0,0,0|3,0,0]=4 497 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [1,0,0,0,0,0|3,0,0]=4 498 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [1,0,0,0,0,0|3,0,0]=4 499 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [1,0,0,0,0,0|3,0,0]=4 500 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [1,0,0,0,0,0|3,0,0]=4 501 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [1,0,0,0,0,0|3,0,0]=4 502 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [1,0,0,0,0,0|3,0,0]=4 503 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [1,0,0,0,0,0|3,0,0]=4 504 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [1,0,0,0,0,0|3,0,0]=4 505 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,0,0,0,0,0|3,0,0]=4 506 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,0,0,0,0,0|3,0,0]=4 507 B9R1.69 Cc1c(cnc(n1)C)N TS00641 [1,0,0,0,0,0|3,0,0]=4 508 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [1,0,0,0,0,0|3,0,0]=4 509 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [1,0,0,0,0,0|3,0,0]=4 510 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [1,0,0,0,0,0|3,0,0]=4 511 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [1,0,0,0,0,0|3,0,0]=4 512 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [1,0,0,0,0,0|3,0,0]=4 513 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [1,0,0,0,0,0|3,0,0]=4 514 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [1,0,0,0,0,0|3,0,0]=4 515 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [1,0,0,0,0,0|3,0,0]=4 516 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [1,0,0,0,0,0|3,0,0]=4 517 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [1,0,0,0,0,0|3,0,0]=4 518 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [1,0,0,0,0,0|3,0,0]=4 519 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,0,0,0,0,0|2,0,1]=4 520 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,0,0,0,0,0|1,0,1]=3 521 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [1,0,0,0,0,0|3,0,0]=4 522 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [1,0,0,0,0,0|3,0,0]=4 523 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [1,0,0,0,0,0|3,0,0]=4 524 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [1,0,0,0,0,0|3,0,0]=4 525 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [1,0,0,0,0,0|3,0,0]=4 526 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [1,0,0,0,0,0|3,0,0]=4 527 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [1,0,0,0,0,0|3,0,0]=4 528 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [1,0,0,0,0,0|3,0,0]=4 529 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [1,0,0,0,0,0|2,0,1]=4 530 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [1,0,0,0,0,0|2,0,1]=4 531 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [1,0,0,0,0,0|2,0,0]=3 532 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [1,0,0,0,0,0|2,0,0]=3 533 B9R1.69 Cc1cc(ccc1Br)F TS85460 [1,0,0,0,0,0|2,0,0]=3 534 B9R1.69 Cc1cc(ccc1Br)I TS08348 [1,0,0,0,0,0|2,0,0]=3 535 B9R1.69 Cc1cc(ccc1Br)N TS09584 [1,0,0,0,0,0|2,0,0]=3 536 B9R1.69 Cc1cc(ccc1Br)O TS09587 [1,0,0,0,0,0|2,0,0]=3 537 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [1,0,0,0,0,0|2,0,0]=3 538 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [1,0,0,0,0,0|2,0,0]=3 539 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [1,0,0,0,0,0|2,0,0]=3 540 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [1,0,0,0,0,0|2,0,0]=3 541 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [1,0,0,0,0,0|2,0,0]=3 542 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [1,0,0,0,0,0|2,0,0]=3 543 B9R1.69 Cc1cc(ccc1F)Br TS16784 [1,0,0,0,0,0|2,0,0]=3 544 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [1,0,0,0,0,0|2,0,0]=3 545 B9R1.69 Cc1cc(ccc1F)F TS22993 [1,0,0,0,0,0|2,0,0]=3 546 B9R1.69 Cc1cc(ccc1F)I TS65051 [1,0,0,0,0,0|2,0,0]=3 547 B9R1.69 Cc1cc(ccc1F)N TS36056 [1,0,0,0,0,0|2,0,0]=3 548 B9R1.69 Cc1cc(ccc1F)O TS71121 [1,0,0,0,0,0|2,0,0]=3 549 B9R1.69 Cc1cc(ccc1F)S TS06691 [1,0,0,0,0,0|2,0,0]=3 550 B9R1.69 Cc1cc(ccc1I)Br TS59717 [1,0,0,0,0,0|2,0,0]=3 551 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [1,0,0,0,0,0|2,0,0]=3 552 B9R1.69 Cc1cc(ccc1I)F TS71539 [1,0,0,0,0,0|2,0,0]=3 553 B9R1.69 Cc1cc(ccc1I)I TS78661 [1,0,0,0,0,0|2,0,0]=3 554 B9R1.69 Cc1cc(ccc1N)Br TS23566 [1,0,0,0,0,0|2,0,0]=3 555 B9R1.69 Cc1cc(ccc1N)Br TS93925 [1,0,0,0,0,0|2,0,0]=3 556 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [1,0,0,0,0,0|2,0,0]=3 557 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [1,0,0,0,0,0|2,0,0]=3 558 B9R1.69 Cc1cc(ccc1N)I TS71186 [1,0,0,0,0,0|2,0,0]=3 559 B9R1.69 Cc1cc(ccc1N)N TS00178 [1,0,0,0,0,0|2,0,0]=3 560 B9R1.69 Cc1cc(ccc1N)N TS17999 [1,0,0,0,0,0|2,0,0]=3 561 B9R1.69 Cc1cc(ccc1N)N TS23083 [1,0,0,0,0,0|2,0,0]=3 562 B9R1.69 Cc1cc(ccc1N)O TS02998 [1,0,0,0,0,0|2,0,0]=3 563 B9R1.69 Cc1cc(ccc1O)Br TS01121 [1,0,0,0,0,0|1,0,1]=3 564 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [1,0,0,0,0,0|1,0,1]=3 565 B9R1.69 Cc1cc(ccc1O)F TS09704 [1,0,0,0,0,0|1,0,1]=3 566 B9R1.69 Cc1cc(ccc1O)I TS53550 [1,0,0,0,0,0|1,0,1]=3 567 B9R1.69 Cc1cc(ccc1O)N TS08867 [1,0,0,0,0,0|1,0,1]=3 568 B9R1.69 Cc1cc(ccc1O)O TS32600 [1,0,0,0,0,0|1,0,1]=3 569 B9R1.69 Cc1cc(ccc1O)S TS70667 [1,0,0,0,0,0|1,0,1]=3 570 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [1,0,0,0,0,0|3,0,0]=4 571 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [1,0,0,0,0,0|3,0,0]=4 572 B9R1.69 Cc1cc(cnc1Br)F TS16270 [1,0,0,0,0,0|3,0,0]=4 573 B9R1.69 Cc1cc(cnc1Br)I TS55994 [1,0,0,0,0,0|3,0,0]=4 574 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,0,0,0,0,0|3,0,0]=4 575 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [1,0,0,0,0,0|3,0,0]=4 576 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [1,0,0,0,0,0|3,0,0]=4 577 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [1,0,0,0,0,0|3,0,0]=4 578 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [1,0,0,0,0,0|3,0,0]=4 579 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,0,0,0,0,0|3,0,0]=4 580 B9R1.69 Cc1cc(cnc1F)Br TS71418 [1,0,0,0,0,0|3,0,0]=4 581 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [1,0,0,0,0,0|3,0,0]=4 582 B9R1.69 Cc1cc(cnc1F)I TS25995 [1,0,0,0,0,0|3,0,0]=4 583 B9R1.69 Cc1cc(cnc1F)N TS71359 [1,0,0,0,0,0|3,0,0]=4 584 B9R1.69 Cc1cc(cnc1I)Br TS55995 [1,0,0,0,0,0|3,0,0]=4 585 B9R1.69 Cc1cc(cnc1N)Br TS00769 [1,0,0,0,0,0|3,0,0]=4 586 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [1,0,0,0,0,0|3,0,0]=4 587 B9R1.69 Cc1cc(cnc1N)F TS03314 [1,0,0,0,0,0|3,0,0]=4 588 B9R1.69 Cc1cc(cnc1N)I TS47433 [1,0,0,0,0,0|3,0,0]=4 589 B9R1.69 Cc1cc(cnc1N)N TS32578 [1,0,0,0,0,0|3,0,0]=4 590 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,0,0,0,0,0|2,0,1]=4 591 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,0,0,0,0,0|2,0,1]=4 592 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,0,0,0,0,0|2,0,1]=4 593 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,0,0,0,0,0|2,0,1]=4 594 B9R1.69 Cc1cc(n[nH]c1=O)C TS87639 [1,0,0,0,0,0|2,0,0]=3 595 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [1,0,0,0,0,0|3,0,0]=4 596 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [1,0,0,0,0,0|3,0,0]=4 597 B9R1.69 Cc1cc(ncc1Br)F TS85252 [1,0,0,0,0,0|3,0,0]=4 598 B9R1.69 Cc1cc(ncc1Br)N TS47423 [1,0,0,0,0,0|3,0,0]=4 599 B9R1.69 Cc1cc(ncc1Br)O TS50643 [1,0,0,0,0,0|3,0,0]=4 600 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [1,0,0,0,0,0|3,0,0]=4 601 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [1,0,0,0,0,0|3,0,0]=4 602 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [1,0,0,0,0,0|3,0,0]=4 603 B9R1.69 Cc1cc(ncc1F)Br TS16269 [1,0,0,0,0,0|3,0,0]=4 604 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [1,0,0,0,0,0|3,0,0]=4 605 B9R1.69 Cc1cc(ncc1F)N TS00784 [1,0,0,0,0,0|3,0,0]=4 606 B9R1.69 Cc1cc(ncc1I)F TS25994 [1,0,0,0,0,0|3,0,0]=4 607 B9R1.69 Cc1cc(ncc1I)N TS53553 [1,0,0,0,0,0|3,0,0]=4 608 B9R1.69 Cc1cc(ncc1N)Br TS71350 [1,0,0,0,0,0|3,0,0]=4 609 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [1,0,0,0,0,0|3,0,0]=4 610 B9R1.69 Cc1cc(ncc1N)N TS32570 [1,0,0,0,0,0|3,0,0]=4 611 B9R1.69 Cc1cc(nnc1Cl)C TS90980 [1,0,0,0,0,0|3,0,0]=4 612 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [1,0,0,0,0,0|1,0,1]=3 613 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [1,0,0,0,0,0|2,0,0]=3 614 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,0,0,0,0,0|1,0,1]=3 615 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [1,0,0,0,0,0|2,0,0]=3 616 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [1,0,0,0,0,0|2,0,0]=3 617 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [1,0,0,0,0,0|2,0,0]=3 618 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [1,0,0,0,0,0|2,0,0]=3 619 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [1,0,0,0,0,0|1,0,1]=3 620 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [1,0,0,0,0,0|1,1,0]=3 621 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,0,0,0,0,0|1,0,0]=2 622 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,0,0,0,0,0|0,0,1]=2 623 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,0,0,0,0,0|1,0,0]=2 624 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,0,0,0,0,0|1,0,0]=2 625 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,0,0,0,0,0|1,0,0]=2 626 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,0,0,0,0,0|1,0,0]=2 627 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,0,0,0,0,0|1,0,0]=2 628 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,0,0,0,0,0|0,0,1]=2 629 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,0,0,0,0,0|0,1,0]=2 630 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,0,0,0,0,0|0,1,0]=2 631 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [1,0,0,0,0,0|2,0,0]=3 632 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,0,0,0,0,0|1,0,1]=3 633 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [1,0,0,0,0,0|2,0,0]=3 634 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [1,0,0,0,0,0|2,0,0]=3 635 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [1,0,0,0,0,0|2,0,0]=3 636 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [1,0,0,0,0,0|2,0,0]=3 637 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [1,0,0,0,0,0|1,0,1]=3 638 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [1,0,0,0,0,0|2,0,0]=3 639 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,0,0,0,0,0|1,0,1]=3 640 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [1,0,0,0,0,0|2,0,0]=3 641 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [1,0,0,0,0,0|2,0,0]=3 642 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [1,0,0,0,0,0|2,0,0]=3 643 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [1,0,0,0,0,0|2,0,0]=3 644 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,0,0,0,0,0|1,0,1]=3 645 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [1,0,0,0,0,0|2,0,0]=3 646 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [1,0,0,0,0,0|2,0,0]=3 647 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [1,0,0,0,0,0|2,0,0]=3 648 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [1,0,0,0,0,0|2,0,0]=3 649 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,0,0,0,0,0|1,0,1]=3 650 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [1,0,0,0,0,0|2,0,0]=3 651 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [1,0,0,0,0,0|2,0,0]=3 652 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [1,0,0,0,0,0|2,0,0]=3 653 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [1,0,0,0,0,0|2,0,0]=3 654 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [1,0,0,0,0,0|1,0,1]=3 655 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [1,0,0,0,0,0|1,0,1]=3 656 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,0,0,0,0,0|1,0,1]=3 657 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [1,0,0,0,0,0|2,0,0]=3 658 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [1,0,0,0,0,0|2,0,0]=3 659 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [1,0,0,0,0,0|2,0,0]=3 660 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [1,0,0,0,0,0|1,0,1]=3 661 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,0,0,0,0,0|1,0,1]=3 662 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [1,0,0,0,0,0|1,1,0]=3 663 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [1,0,0,0,0,0|1,1,0]=3 664 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [1,0,0,0,0,0|1,1,0]=3 665 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,0,0,0,0,0|1,0,1]=3 666 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [1,0,0,0,0,0|3,0,0]=4 667 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [1,0,0,0,0,0|3,0,0]=4 668 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [1,0,0,0,0,0|3,0,0]=4 669 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [1,0,0,0,0,0|2,0,1]=4 670 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,0,0,0,0,0|2,0,0]=3 671 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,0,0,0,0,0|2,0,0]=3 672 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,0,0,0,0,0|1,0,1]=3 673 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [1,0,0,0,0,0|3,0,0]=4 674 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [1,0,0,0,0,0|3,0,0]=4 675 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [1,0,0,0,0,0|3,0,0]=4 676 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [1,0,0,0,0,0|3,0,0]=4 677 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [1,0,0,0,0,0|2,0,1]=4 678 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [1,0,0,0,0,0|3,0,0]=4 679 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [1,0,0,0,0,0|3,0,0]=4 680 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [1,0,0,0,0,0|3,0,0]=4 681 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [1,0,0,0,0,0|2,0,1]=4 682 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [1,0,0,0,0,0|2,0,1]=4 683 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [1,0,0,0,0,0|3,0,0]=4 684 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [1,0,0,0,0,0|3,0,0]=4 685 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [1,0,0,0,0,0|3,0,0]=4 686 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [1,0,0,0,0,0|2,0,1]=4 687 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [1,0,0,0,0,0|3,0,0]=4 688 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [1,0,0,0,0,0|2,0,1]=4 689 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [1,0,0,0,0,0|2,0,1]=4 690 B9R1.69 Cc1ccc(cc1Br)I TS08325 [1,0,0,0,0,0|2,0,1]=4 691 B9R1.69 Cc1ccc(cc1Br)N TS09455 [1,0,0,0,0,0|2,0,1]=4 692 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,0,0,0,0,0|1,0,1]=3 693 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,0,0,0,0,0|1,0,1]=3 694 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,0,0,0,0,0|1,0,1]=3 695 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,0,0,0,0,0|1,0,1]=3 696 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,0,0,0,0,0|1,0,1]=3 697 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,0,0,0,0,0|1,0,1]=3 698 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,0,0,0,0,0|1,0,1]=3 699 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [1,0,0,0,0,0|2,0,1]=4 700 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [1,0,0,0,0,0|2,0,1]=4 701 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [1,0,0,0,0,0|2,0,1]=4 702 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [1,0,0,0,0,0|2,0,1]=4 703 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [1,0,0,0,0,0|2,0,1]=4 704 B9R1.69 Cc1ccc(cc1F)Br TS16763 [1,0,0,0,0,0|2,0,1]=4 705 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [1,0,0,0,0,0|2,0,1]=4 706 B9R1.69 Cc1ccc(cc1F)F TS47222 [1,0,0,0,0,0|2,0,1]=4 707 B9R1.69 Cc1ccc(cc1F)I TS02163 [1,0,0,0,0,0|2,0,1]=4 708 B9R1.69 Cc1ccc(cc1F)N TS02755 [1,0,0,0,0,0|2,0,1]=4 709 B9R1.69 Cc1ccc(cc1F)O TS02758 [1,0,0,0,0,0|2,0,1]=4 710 B9R1.69 Cc1ccc(cc1F)S TS06690 [1,0,0,0,0,0|2,0,1]=4 711 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [1,0,0,0,0,0|2,0,1]=4 712 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [1,0,0,0,0,0|2,0,1]=4 713 B9R1.69 Cc1ccc(cc1I)F TS60397 [1,0,0,0,0,0|2,0,1]=4 714 B9R1.69 Cc1ccc(cc1I)N TS53418 [1,0,0,0,0,0|2,0,1]=4 715 B9R1.69 Cc1ccc(cc1N)Br TS47394 [1,0,0,0,0,0|2,0,1]=4 716 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [1,0,0,0,0,0|2,0,1]=4 717 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [1,0,0,0,0,0|2,0,1]=4 718 B9R1.69 Cc1ccc(cc1N)F TS71546 [1,0,0,0,0,0|2,0,1]=4 719 B9R1.69 Cc1ccc(cc1N)I TS08884 [1,0,0,0,0,0|2,0,1]=4 720 B9R1.69 Cc1ccc(cc1N)N TS32517 [1,0,0,0,0,0|2,0,1]=4 721 B9R1.69 Cc1ccc(cc1N)O TS65470 [1,0,0,0,0,0|2,0,1]=4 722 B9R1.69 Cc1ccc(cc1O)Br TS09797 [1,0,0,0,0,0|2,0,1]=4 723 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [1,0,0,0,0,0|2,0,1]=4 724 B9R1.69 Cc1ccc(cc1O)F TS65133 [1,0,0,0,0,0|2,0,1]=4 725 B9R1.69 Cc1ccc(cc1O)O TS65139 [1,0,0,0,0,0|2,0,1]=4 726 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,0,0,0,0,0|2,0,1]=4 727 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,0,0,0,0,0|2,0,1]=4 728 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,0,0,0,0,0|1,0,1]=3 729 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,0,0,0,0,0|1,0,1]=3 730 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,0,0,0,0,0|2,0,1]=4 731 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,0,0,0,0,0|2,0,1]=4 732 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [1,0,0,0,0,0|2,0,1]=4 733 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [1,0,0,0,0,0|3,0,0]=4 734 B9R1.69 Cn1c(=O)ccc(n1)O TS36102 [1,0,0,0,0,0|3,0,0]=4 735 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [1,0,0,0,0,0|2,0,0]=3 736 B9R1.69 Cn1cc(ccc1=O)F TS03324 [1,0,0,0,0,0|2,0,0]=3 737 B9R1.69 Cn1cc(ccc1=O)N TS87923 [1,0,0,0,0,0|2,0,0]=3 738 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [1,0,0,0,0,0|3,0,0]=4 739 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [1,0,0,0,0,0|3,0,0]=4 740 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [1,0,0,0,0,0|2,0,1]=4 741 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [1,0,0,0,0,0|3,0,0]=4 742 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [1,0,0,0,0,0|3,0,0]=4 743 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [1,0,0,0,0,0|3,0,0]=4 744 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [1,0,0,0,0,0|3,0,0]=4 745 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [1,0,0,0,0,0|3,0,0]=4 746 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [1,0,0,0,0,0|2,0,1]=4 747 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [1,0,0,0,0,0|3,0,0]=4 748 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [1,0,0,0,0,0|3,0,0]=4 749 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [1,0,0,0,0,0|3,0,0]=4 750 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [1,0,0,0,0,0|3,0,0]=4 751 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [1,0,0,0,0,0|3,0,0]=4 752 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [1,0,0,0,0,0|2,0,1]=4 753 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [1,0,0,0,0,0|3,0,0]=4 754 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [1,0,0,0,0,0|3,0,0]=4 755 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [1,0,0,0,0,0|3,0,0]=4 756 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [1,0,0,0,0,0|3,0,0]=4 757 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [1,0,0,0,0,0|3,0,0]=4 758 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [1,0,0,0,0,0|3,0,0]=4 759 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [1,0,0,0,0,0|3,0,0]=4 760 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [1,0,0,0,0,0|3,0,0]=4 761 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [1,0,0,0,0,0|2,0,1]=4 762 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [1,0,0,0,0,0|3,0,0]=4 763 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [1,0,0,0,0,0|3,0,0]=4 764 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [1,0,0,0,0,0|3,0,0]=4 765 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [1,0,0,0,0,0|3,0,0]=4 766 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [1,0,0,0,0,0|2,0,1]=4 767 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [1,0,0,0,0,0|3,0,0]=4 768 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [1,0,0,0,0,0|3,0,0]=4 769 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [1,0,0,0,0,0|3,0,0]=4 770 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [1,0,0,0,0,0|3,0,0]=4 771 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [1,0,0,0,0,0|3,0,0]=4 772 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [1,0,0,0,0,0|2,0,1]=4 773 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [1,0,0,0,0,0|3,0,0]=4 774 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [1,0,0,0,0,0|3,0,0]=4 775 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [1,0,0,0,0,0|3,0,0]=4 776 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [1,0,0,0,0,0|3,0,0]=4 777 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [1,0,0,0,0,0|3,0,0]=4 778 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [1,0,0,0,0,0|2,0,1]=4 779 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [1,0,0,0,0,0|2,1,0]=4 780 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [1,0,0,0,0,0|3,0,0]=4 781 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [1,0,0,0,0,0|3,0,0]=4 782 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [1,0,0,0,0,0|3,0,0]=4 783 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [1,0,0,0,0,0|3,0,0]=4 784 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [1,0,0,0,0,0|3,0,0]=4 785 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [1,0,0,0,0,0|2,0,1]=4 786 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [1,0,0,0,0,0|3,0,0]=4 787 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [1,0,0,0,0,0|3,0,0]=4 788 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [1,0,0,0,0,0|3,0,0]=4 789 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [1,0,0,0,0,0|2,0,1]=4 790 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [1,0,0,0,0,0|3,0,0]=4 791 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [1,0,0,0,0,0|3,0,0]=4 792 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [1,0,0,0,0,0|3,0,0]=4 793 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [1,0,0,0,0,0|3,0,0]=4 794 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [1,0,0,0,0,0|3,0,0]=4 795 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [1,0,0,0,0,0|2,0,1]=4 796 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [1,0,0,0,0,0|2,1,0]=4 797 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [1,0,0,0,0,0|2,1,0]=4 798 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [1,0,0,0,0,0|3,0,0]=4 799 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [1,0,0,0,0,0|3,0,0]=4 800 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [1,0,0,0,0,0|3,0,0]=4 801 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [1,0,0,0,0,0|3,0,0]=4 802 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [1,0,0,0,0,0|2,0,1]=4 803 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [1,0,0,0,0,0|3,0,0]=4 804 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [1,0,0,0,0,0|3,0,0]=4 805 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [1,0,0,0,0,0|3,0,0]=4 806 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [1,0,0,0,0,0|3,0,0]=4 807 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [1,0,0,0,0,0|3,0,0]=4 808 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [1,0,0,0,0,0|3,0,0]=4 809 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [1,0,0,0,0,0|3,0,0]=4 810 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [1,0,0,0,0,0|2,0,1]=4 811 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [1,0,0,0,0,0|3,0,0]=4 812 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [1,0,0,0,0,0|3,0,0]=4 813 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [1,0,0,0,0,0|3,0,0]=4 814 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [1,0,0,0,0,0|3,0,0]=4 815 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [1,0,0,0,0,0|3,0,0]=4 816 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [1,0,0,0,0,0|2,0,1]=4 817 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [1,0,0,0,0,0|2,1,0]=4 818 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [1,0,0,0,0,0|3,0,0]=4 819 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [1,0,0,0,0,0|3,0,0]=4 820 B9R1.69 c1cc(c(cc1F)F)F TS46768 [1,0,0,0,0,0|3,0,0]=4 821 B9R1.69 c1cc(c(cc1F)F)I TS26444 [1,0,0,0,0,0|3,0,0]=4 822 B9R1.69 c1cc(c(cc1F)F)N TS00627 [1,0,0,0,0,0|3,0,0]=4 823 B9R1.69 c1cc(c(cc1F)F)O TS00636 [1,0,0,0,0,0|2,0,1]=4 824 B9R1.69 c1cc(c(cc1F)F)S TS07912 [1,0,0,0,0,0|2,1,0]=4 825 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [1,0,0,0,0,0|3,0,0]=4 826 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [1,0,0,0,0,0|3,0,0]=4 827 B9R1.69 c1cc(c(cc1F)I)F TS26443 [1,0,0,0,0,0|3,0,0]=4 828 B9R1.69 c1cc(c(cc1F)I)I TS64595 [1,0,0,0,0,0|3,0,0]=4 829 B9R1.69 c1cc(c(cc1F)I)N TS09698 [1,0,0,0,0,0|3,0,0]=4 830 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [1,0,0,0,0,0|3,0,0]=4 831 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [1,0,0,0,0,0|3,0,0]=4 832 B9R1.69 c1cc(c(cc1F)N)F TS00672 [1,0,0,0,0,0|3,0,0]=4 833 B9R1.69 c1cc(c(cc1F)N)I TS07832 [1,0,0,0,0,0|3,0,0]=4 834 B9R1.69 c1cc(c(cc1F)N)N TS16670 [1,0,0,0,0,0|3,0,0]=4 835 B9R1.69 c1cc(c(cc1F)N)O TS00753 [1,0,0,0,0,0|2,0,1]=4 836 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [1,0,0,0,0,0|3,0,0]=4 837 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [1,0,0,0,0,0|3,0,0]=4 838 B9R1.69 c1cc(c(cc1F)O)F TS36449 [1,0,0,0,0,0|3,0,0]=4 839 B9R1.69 c1cc(c(cc1F)O)N TS36211 [1,0,0,0,0,0|3,0,0]=4 840 B9R1.69 c1cc(c(cc1F)O)O TS39506 [1,0,0,0,0,0|2,0,1]=4 841 B9R1.69 c1cc(c(cc1F)S)F TS07211 [1,0,0,0,0,0|3,0,0]=4 842 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [1,0,0,0,0,0|3,0,0]=4 843 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [1,0,0,0,0,0|3,0,0]=4 844 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [1,0,0,0,0,0|3,0,0]=4 845 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [1,0,0,0,0,0|3,0,0]=4 846 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [1,0,0,0,0,0|3,0,0]=4 847 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [1,0,0,0,0,0|3,0,0]=4 848 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [1,0,0,0,0,0|3,0,0]=4 849 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [1,0,0,0,0,0|3,0,0]=4 850 B9R1.69 c1cc(c(cc1I)F)F TS59549 [1,0,0,0,0,0|3,0,0]=4 851 B9R1.69 c1cc(c(cc1I)F)I TS65285 [1,0,0,0,0,0|3,0,0]=4 852 B9R1.69 c1cc(c(cc1I)F)N TS09293 [1,0,0,0,0,0|3,0,0]=4 853 B9R1.69 c1cc(c(cc1I)I)I TS82497 [1,0,0,0,0,0|3,0,0]=4 854 B9R1.69 c1cc(c(cc1I)I)N TS64466 [1,0,0,0,0,0|3,0,0]=4 855 B9R1.69 c1cc(c(cc1I)N)F TS25996 [1,0,0,0,0,0|3,0,0]=4 856 B9R1.69 c1cc(c(cc1I)N)N TS71178 [1,0,0,0,0,0|3,0,0]=4 857 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [1,0,0,0,0,0|3,0,0]=4 858 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [1,0,0,0,0,0|3,0,0]=4 859 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [1,0,0,0,0,0|3,0,0]=4 860 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [1,0,0,0,0,0|2,0,1]=4 861 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [1,0,0,0,0,0|3,0,0]=4 862 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [1,0,0,0,0,0|3,0,0]=4 863 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [1,0,0,0,0,0|3,0,0]=4 864 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [1,0,0,0,0,0|3,0,0]=4 865 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [1,0,0,0,0,0|3,0,0]=4 866 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [1,0,0,0,0,0|3,0,0]=4 867 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [1,0,0,0,0,0|3,0,0]=4 868 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [1,0,0,0,0,0|2,0,1]=4 869 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [1,0,0,0,0,0|3,0,0]=4 870 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [1,0,0,0,0,0|3,0,0]=4 871 B9R1.69 c1cc(c(cc1N)F)F TS65749 [1,0,0,0,0,0|3,0,0]=4 872 B9R1.69 c1cc(c(cc1N)F)I TS02749 [1,0,0,0,0,0|3,0,0]=4 873 B9R1.69 c1cc(c(cc1N)F)O TS02963 [1,0,0,0,0,0|2,0,1]=4 874 B9R1.69 c1cc(c(cc1N)I)N TS01065 [1,0,0,0,0,0|3,0,0]=4 875 B9R1.69 c1cc(c(cc1N)I)O TS25670 [1,0,0,0,0,0|2,0,1]=4 876 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [1,0,0,0,0,0|3,0,0]=4 877 B9R1.69 c1cc(c(cc1N)N)F TS65337 [1,0,0,0,0,0|3,0,0]=4 878 B9R1.69 c1cc(c(cc1N)N)I TS53551 [1,0,0,0,0,0|3,0,0]=4 879 B9R1.69 c1cc(c(cc1N)N)N TS00347 [1,0,0,0,0,0|3,0,0]=4 880 B9R1.69 c1cc(c(cc1N)N)O TS53804 [1,0,0,0,0,0|2,0,1]=4 881 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [1,0,0,0,0,0|3,0,0]=4 882 B9R1.69 c1cc(c(cc1N)O)O TS20087 [1,0,0,0,0,0|2,0,1]=4 883 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [1,0,0,0,0,0|3,0,0]=4 884 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [1,0,0,0,0,0|3,0,0]=4 885 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [1,0,0,0,0,0|2,0,1]=4 886 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [1,0,0,0,0,0|3,0,0]=4 887 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [1,0,0,0,0,0|3,0,0]=4 888 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [1,0,0,0,0,0|3,0,0]=4 889 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [1,0,0,0,0,0|2,0,1]=4 890 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [1,0,0,0,0,0|3,0,0]=4 891 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [1,0,0,0,0,0|3,0,0]=4 892 B9R1.69 c1cc(c(cc1O)F)F TS60320 [1,0,0,0,0,0|3,0,0]=4 893 B9R1.69 c1cc(c(cc1O)F)N TS42650 [1,0,0,0,0,0|3,0,0]=4 894 B9R1.69 c1cc(c(cc1O)F)N TS70881 [1,0,0,0,0,0|3,0,0]=4 895 B9R1.69 c1cc(c(cc1O)F)O TS85396 [1,0,0,0,0,0|2,0,1]=4 896 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [1,0,0,0,0,0|3,0,0]=4 897 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [1,0,0,0,0,0|3,0,0]=4 898 B9R1.69 c1cc(c(cc1O)N)F TS65858 [1,0,0,0,0,0|3,0,0]=4 899 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [1,0,0,0,0,0|3,0,0]=4 900 B9R1.69 c1cc(c(cc1O)O)F TS71140 [1,0,0,0,0,0|3,0,0]=4 901 B9R1.69 c1cc(c(cc1O)O)N TS42356 [1,0,0,0,0,0|3,0,0]=4 902 B9R1.69 c1cc(c(cc1O)O)O TS05134 [1,0,0,0,0,0|2,0,1]=4 903 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [1,0,0,0,0,0|3,0,0]=4 904 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [1,0,0,0,0,0|3,0,0]=4 905 B9R1.69 c1cc(c(cc1S)F)F TS40406 [1,0,0,0,0,0|3,0,0]=4 906 B9R1.69 c1cc(c(cc1S)F)N TS40078 [1,0,0,0,0,0|3,0,0]=4 907 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [1,0,0,0,0,0|3,0,0]=4 908 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [1,0,0,0,0,0|3,0,0]=4 909 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [1,0,0,0,0,0|3,0,0]=4 910 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [1,0,0,0,0,0|3,0,0]=4 911 B11R1.37 CNc1c(cnc(n1)Cl)C=O TS89807 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.37 COc1cc(ccc1C#N)Br TS70958 [0,1,0,0,0,0|2,0,1]=4 913 B11R1.37 COc1cc(ccc1C#N)F TS60398 [0,1,0,0,0,0|2,0,1]=4 914 B11R1.37 COc1cc(ccc1C=O)F TS09700 [0,1,0,0,0,0|1,0,0]=2 915 B11R1.37 COc1cc(ccc1C=O)O TS71152 [0,1,0,0,0,0|1,0,0]=2 916 B11R1.37 COc1cc(ccc1CCl)F TS13587 [0,1,0,0,0,0|2,0,1]=4 917 B11R1.37 COc1cc(ccc1CO)F TS10664 [0,1,0,0,0,0|1,0,2]=4 918 B11R1.37 COc1ccc(cc1CBr)F TS07834 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.37 COc1ccc(cc1CN)Cl TS45383 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.37 COc1ccc(cc1CO)Br TS07816 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.37 COc1ccc(cc1OC)Br TS09621 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.37 COc1ccc(cc1OC)F TS41604 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.37 COc1ccc(cc1OC)I TS68773 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.37 COc1ccc(cc1OC)N TS02553 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.37 COc1ccc(cc1OC)N TS16248 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.37 COc1ccc(cc1OC)O TS65454 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.37 COc1ccc(cc1OC)S TS12826 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.37 Cc1ccc(c(c1)C#N)C#N TS37567 [0,1,0,0,0,0|1,0,2]=4 929 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [0,1,0,0,0,0|2,0,0]=3 930 B11R1.37 c1cc(c(cc1F)C#N)C=O TS40714 [0,1,0,0,0,0|1,0,1]=3 931 B11R1.37 c1cc(c(cc1F)CBr)C#N TS21599 [0,1,0,0,0,0|2,0,1]=4 932 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [0,1,0,0,0,0|1,0,2]=4 933 B11R1.81 Cc1cc(ccc1N=C=O)Br TS21238 [0,1,0,0,0,0|1,0,1]=3 934 B11R1.81 Cc1cc(ccc1N=C=O)Cl TS43271 [0,1,0,0,0,0|1,0,1]=3 935 B11R1.81 Cc1cc(ccc1N=C=S)Br TS52597 [0,1,0,0,0,0|1,1,1]=4 936 B11R1.81 Cc1cc(ccc1N=C=S)Cl TS15207 [0,1,0,0,0,0|1,1,1]=4 937 B11R1.81 Cc1cc(ccc1N=C=S)F TS12393 [0,1,0,0,0,0|1,1,1]=4 938 B11R1.81 Cc1ccc(c(c1)Br)N=C=S TS52594 [0,1,0,0,0,0|1,1,1]=4 939 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [0,1,0,0,0,0|1,0,1]=3 940 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [0,1,0,0,0,0|1,0,1]=3 941 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [0,1,0,0,0,0|0,0,2]=3 942 B11R1.81 Cc1ccc(c(c1)C)N=C=O TS40523 [0,1,0,0,0,0|0,0,1]=2 943 B11R1.81 Cc1ccc(c(c1)C)N=C=S TS42627 [0,1,0,0,0,0|0,1,1]=3 944 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [0,1,0,0,0,0|0,0,0]=1 945 B11R1.81 Cc1ccc(c(c1)Cl)N=C=S TS15200 [0,1,0,0,0,0|1,1,1]=4 946 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.81 Cc1ccc(c(c1)F)N=C=S TS12395 [0,1,0,0,0,0|1,1,1]=4 948 B11R1.81 c1cc(c(cc1Br)F)C=NO TS49341 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.81 c1cc(c(cc1Cl)Cl)C=NO TS16282 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.81 c1cc(c(cc1Cl)Cl)N=C=O TS15897 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.81 c1cc(c(cc1F)F)C=NO TS41745 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.81 c1cc(c(cc1F)F)N=C=O TS09237 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.81 c1cc(c(cc1O)O)C=NO TS10291 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.166 B(c1ccc(cc1C)Br)(O)O TS94834 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,1,0,0,0,0|1,0,1]=3 957 B11R1.166 B(c1ccc(cc1C)Cl)(O)O TS71021 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.166 B(c1ccc(cc1C)F)(O)O TS01122 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [0,1,0,0,0,0|2,0,1]=4 960 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,1,0,0,0,0|2,0,1]=4 961 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,1,0,0,0,0|2,0,1]=4 962 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.166 B(c1ccc(nc1C)C)(O)O TS00706 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,1,0,0,0,0|2,0,0]=3 966 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,1,0,0,0,0|2,0,0]=3 967 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,1,0,0,0,0|2,0,0]=3 968 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,1,0,0,0,0|2,0,0]=3 969 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,1,0,0,0,0|2,0,0]=3 970 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,1,0,0,0,0|2,0,0]=3 971 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,1,0,0,0,0|2,0,0]=3 972 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,1,0,0,0,0|2,0,0]=3 977 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,1,0,0,0,0|2,0,0]=3 978 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.166 Cc1c(ccc(n1)Br)[N+](=O)[O-] TS08367 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.166 Cc1c(ccc(n1)Cl)[N+](=O)[O-] TS55568 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [0,1,0,0,0,0|2,0,0]=3 983 B11R1.166 Cc1c(ccc(n1)F)[N+](=O)[O-] TS60284 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] TS47447 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] TS01054 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,1,0,0,0,0|2,0,0]=3 987 B11R1.166 Cc1c(cnc(n1)N)C(=O)C TS10045 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.166 Cc1c(cnc(n1)N)C(=O)O TS10294 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,1,0,0,0,0|2,0,0]=3 990 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,1,0,0,0,0|2,0,0]=3 992 B11R1.166 Cc1cc(c(cn1)[N+](=O)[O-])N TS10295 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,1,0,0,0,0|2,0,0]=3 994 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,1,0,0,0,0|1,0,0]=2 995 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,1,0,0,0,0|1,0,0]=2 996 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,1,0,0,0,0|1,0,0]=2 997 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,1,0,0,0,0|1,0,0]=2 998 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,1,0,0,0,0|1,0,0]=2 999 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,1,0,0,0,0|1,0,0]=2 1000 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,1,0,0,0,0|1,0,0]=2 1001 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,1,0,0,0,0|1,0,0]=2 1002 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,1,0,0,0,0|1,0,0]=2 1003 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br TS16764 [0,1,0,0,0,0|2,0,0]=3 1007 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl TS03259 [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F TS93803 [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])I TS68681 [0,1,0,0,0,0|2,0,0]=3 1010 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N TS02830 [0,1,0,0,0,0|2,0,0]=3 1011 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [0,1,0,0,0,0|2,0,0]=3 1012 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [0,1,0,0,0,0|2,0,0]=3 1013 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.166 Cc1cc(cnc1[N+](=O)[O-])Br TS22161 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,1,0,0,0,0|1,0,0]=2 1016 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [0,1,0,0,0,0|2,0,0]=3 1017 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Br TS08329 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])C TS10154 [0,1,0,0,0,0|2,0,0]=3 1019 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Cl TS55230 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])F TS55339 [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS47410 [0,1,0,0,0,0|3,0,0]=4 1022 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS85433 [0,1,0,0,0,0|3,0,0]=4 1023 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O TS55393 [0,1,0,0,0,0|3,0,0]=4 1024 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,1,0,0,0,0|1,0,0]=2 1026 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,1,0,0,0,0|0,0,0]=1 1027 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,1,0,0,0,0|0,0,0]=1 1028 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,1,0,0,0,0|0,0,0]=1 1029 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,1,0,0,0,0|0,0,2]=3 1030 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,1,0,0,0,0|1,0,1]=3 1031 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,1,0,0,0,0|1,0,0]=2 1032 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,1,0,0,0,0|1,0,0]=2 1033 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,1,0,0,0,0|1,0,0]=2 1035 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,1,0,0,0,0|1,0,0]=2 1038 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,1,0,0,0,0|1,0,0]=2 1039 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,1,0,0,0,0|2,0,0]=3 1040 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,1,0,0,0,0|1,0,0]=2 1041 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,1,0,0,0,0|1,0,0]=2 1042 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,0,0|1,0,0]=2 1043 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,1,0,0,0,0|2,0,1]=4 1044 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,1,0,0,0,0|2,0,1]=4 1045 B11R1.166 Cc1ccc(c(n1)Br)[N+](=O)[O-] TS08965 [0,1,0,0,0,0|3,0,0]=4 1046 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,1,0,0,0,0|1,0,0]=2 1047 B11R1.166 Cc1ccc(c(n1)C)[N+](=O)[O-] TS41116 [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.166 Cc1ccc(c(n1)Cl)[N+](=O)[O-] TS08429 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] TS00723 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] TS55627 [0,1,0,0,0,0|3,0,0]=4 1055 B11R1.166 Cc1cn(=O)ccc1N(=O)=O TS02831 [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.166 c1c(c(cnc1Cl)C(=O)N)Cl TS17219 [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,1,0,0,0,0|3,0,0]=4 1060 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [0,1,0,0,0,0|3,0,0]=4 1061 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,1,0,0,0,0|3,0,0]=4 1063 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [0,1,0,0,0,0|3,0,0]=4 1065 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.166 c1c(cnc(c1N)C(=O)N)Br TS90046 [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,1,0,0,0,0|3,0,0]=4 1072 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,1,0,0,0,0|3,0,0]=4 1073 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,1,0,0,0,0|2,0,0]=3 1074 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,1,0,0,0,0|2,0,0]=3 1075 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,1,0,0,0,0|2,0,0]=3 1077 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,1,0,0,0,0|2,0,0]=3 1078 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,1,0,0,0,0|2,0,0]=3 1079 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,1,0,0,0,0|2,0,0]=3 1080 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,1,0,0,0,0|2,0,0]=3 1083 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,1,0,0,0,0|2,0,0]=3 1084 B11R1.166 c1cc(c(cc1Cl)Br)[N+](=O)[O-] TS55096 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,1,0,0,0,0|2,0,0]=3 1088 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,1,0,0,0,0|2,0,0]=3 1089 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,1,0,0,0,0|2,1,0]=4 1090 B11R1.166 c1cc(c(cc1Cl)Cl)N(=O)=O TS59919 [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,1,0,0,0,0|2,0,0]=3 1092 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,1,0,0,0,0|2,0,0]=3 1093 B11R1.166 c1cc(c(cc1Cl)F)N(=O)=O TS03042 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,1,0,0,0,0|2,0,0]=3 1095 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,1,0,0,0,0|2,0,0]=3 1096 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] TS03255 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,1,0,0,0,0|2,0,0]=3 1100 B11R1.166 c1cc(c(cc1F)Br)N(=O)=O TS08320 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,1,0,0,0,0|2,0,0]=3 1103 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,1,0,0,0,0|2,0,0]=3 1104 B11R1.166 c1cc(c(cc1F)Cl)N(=O)=O TS00888 [0,1,0,0,0,0|3,0,0]=4 1105 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,1,0,0,0,0|2,0,0]=3 1109 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,1,0,0,0,0|2,1,0]=4 1111 B11R1.166 c1cc(c(cc1F)F)N(=O)=O TS00634 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,1,0,0,0,0|2,0,0]=3 1113 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] TS03303 [0,1,0,0,0,0|3,0,0]=4 1115 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,1,0,0,0,0|2,0,0]=3 1118 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,1,0,0,0,0|2,0,0]=3 1119 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,1,0,0,0,0|2,0,0]=3 1120 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,1,0,0,0,0|2,0,0]=3 1122 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] TS09460 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,1,0,0,0,0|2,0,0]=3 1124 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] TS13258 [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,1,0,0,0,0|2,0,0]=3 1126 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] TS02760 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS10297 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS62964 [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,1,0,0,0,0|2,0,0]=3 1131 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,1,0,0,0,0|2,0,0]=3 1132 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,1,0,0,0,0|2,0,0]=3 1133 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,1,0,0,0,0|2,0,0]=3 1134 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,1,0,0,0,0|2,0,0]=3 1135 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [0,1,0,0,0,0|3,0,0]=4 1136 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.277 Cc1cc(c(cc1Br)F)C=O TS16761 [0,1,0,0,0,0|2,0,0]=3 1147 B11R1.277 Cc1cc(c(cc1C#N)F)Br TS21601 [0,1,0,0,0,0|2,0,1]=4 1148 B11R1.277 Cc1cc(c(cc1C#N)F)F TS10286 [0,1,0,0,0,0|2,0,1]=4 1149 B11R1.277 Cc1cc(c(cc1C)C#C)C TS07001 [0,1,0,0,0,0|1,0,1]=3 1150 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [0,1,0,0,0,0|0,0,0]=1 1151 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.277 Cc1cc(c(cc1C=O)F)Br TS39472 [0,1,0,0,0,0|1,0,0]=2 1153 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [0,1,0,0,0,0|1,0,0]=2 1154 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.277 Cc1cc(c(cc1F)C#N)Br TS65033 [0,1,0,0,0,0|2,0,1]=4 1156 B11R1.277 Cc1cc(c(cc1F)C#N)F TS41235 [0,1,0,0,0,0|2,0,1]=4 1157 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.277 Cc1cc(c(cc1O)C)C#N TS40538 [0,1,0,0,0,0|2,0,1]=4 1159 B11R1.277 Cc1cc(c(cc1O)C)C=O TS71150 [0,1,0,0,0,0|1,0,0]=2 1160 B11R1.277 c1c(c(cc(c1Br)F)O)C=O TS49543 [0,1,0,0,0,0|2,0,0]=3 1161 B11R1.277 c1c(c(cc(c1Br)O)Br)C=O TS54282 [0,1,0,0,0,0|2,0,0]=3 1162 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O TS16794 [0,1,0,0,0,0|2,0,0]=3 1163 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O TS17601 [0,1,0,0,0,0|2,0,0]=3 1164 B11R1.277 c1c(c(cc(c1F)Cl)F)C=O TS65125 [0,1,0,0,0,0|2,0,0]=3 1165 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O TS60274 [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.277 c1c(c(cc(c1F)F)F)C=O TS00581 [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.277 c1c(c(cc(c1O)O)O)C=O TS10388 [0,1,0,0,0,0|2,0,0]=3 1168 B11R1.278 Cc1c(c(ccc1OC)Br)C TS21835 [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.278 Cc1c(c(ccc1OC)I)C TS68562 [0,1,0,0,0,0|3,0,0]=4 1170 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.278 Cc1c(ccc(c1F)F)C#N TS65448 [0,1,0,0,0,0|2,0,1]=4 1172 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [0,1,0,0,0,0|1,0,0]=2 1173 B11R1.278 Cc1c(ccc(c1F)F)CO TS10935 [0,1,0,0,0,0|1,0,2]=4 1174 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.278 Cc1c(cnc(c1O)C)CO TS16251 [0,1,0,0,0,0|1,0,2]=4 1176 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [0,1,0,0,0,0|0,0,0]=1 1177 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [0,1,0,0,0,0|0,0,2]=3 1178 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [0,1,0,0,0,0|1,0,0]=2 1179 B11R1.278 Cc1ccc(c(c1F)F)CBr TS23229 [0,1,0,0,0,0|2,0,1]=4 1180 B11R1.278 Cc1ccc(c(c1F)F)CN TS10830 [0,1,0,0,0,0|2,0,1]=4 1181 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [0,1,0,0,0,0|3,0,0]=4 1182 B11R1.278 c1cc(c(c(c1C=O)Cl)Cl)O TS60227 [0,1,0,0,0,0|2,0,0]=3 1183 B11R1.278 c1cc(c(c(c1C=O)F)Cl)F TS13933 [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.278 c1cc(c(c(c1C=O)F)F)Br TS23219 [0,1,0,0,0,0|2,0,0]=3 1185 B11R1.278 c1cc(c(c(c1C=O)F)F)F TS00532 [0,1,0,0,0,0|2,0,0]=3 1186 B11R1.278 c1cc(c(c(c1C=O)F)F)I TS30479 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [0,1,0,0,0,0|2,0,0]=3 1188 B11R1.279 CNc1ccc(cc1N)OC TS10200 [0,1,0,0,0,0|3,0,0]=4 1189 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [0,1,0,0,0,0|3,0,0]=4 1190 B11R1.279 COc1ccc(c(c1)Cl)C#N TS09276 [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [0,1,0,0,0,0|2,0,1]=4 1192 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.279 COc1ccc(c(c1)F)C#N TS55335 [0,1,0,0,0,0|2,0,1]=4 1194 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [0,1,0,0,0,0|1,0,0]=2 1195 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [0,1,0,0,0,0|2,0,1]=4 1196 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [0,1,0,0,0,0|1,0,2]=4 1197 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.279 COc1ccc(c(c1)N)C#N TS47403 [0,1,0,0,0,0|2,0,1]=4 1200 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [0,1,0,0,0,0|1,0,0]=2 1202 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [0,1,0,0,0,0|1,0,2]=4 1203 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [0,1,0,0,0,0|3,0,0]=4 1205 B11R1.279 COc1ccc(cc1Br)CN TS21977 [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.279 COc1ccc(cc1Br)CO TS59850 [0,1,0,0,0,0|3,0,0]=4 1207 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [0,1,0,0,0,0|3,0,0]=4 1208 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.279 COc1ccc(cc1F)CBr TS65514 [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.279 COc1ccc(cc1F)CN TS41508 [0,1,0,0,0,0|3,0,0]=4 1211 B11R1.279 COc1ccc(cc1F)CO TS41603 [0,1,0,0,0,0|3,0,0]=4 1212 B11R1.279 COc1ccc(cc1O)CN TS16250 [0,1,0,0,0,0|3,0,0]=4 1213 B11R1.279 COc1ccc(cc1O)CO TS10408 [0,1,0,0,0,0|3,0,0]=4 1214 B11R1.279 CSc1ncc(c(n1)Cl)C=O TS87870 [0,1,0,0,0,0|3,0,0]=4 1215 B11R1.279 Cc1cc(ccc1C#C)OC TS07228 [0,1,0,0,0,0|1,0,1]=3 1216 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [0,1,0,0,0,0|0,0,0]=1 1217 B11R1.279 Cc1cc(ccc1NN)OC TS16092 [0,1,0,0,0,0|2,0,0]=3 1218 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [0,1,0,0,0,0|2,0,1]=4 1219 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [0,1,0,0,0,0|2,0,0]=3 1220 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [0,1,0,0,0,0|2,0,0]=3 1221 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [0,1,0,0,0,0|2,0,0]=3 1222 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [0,1,0,0,0,0|1,0,0]=2 1224 B11R1.279 c1cc(c(cc1C#N)F)C=O TS71087 [0,1,0,0,0,0|1,0,1]=3 1225 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [0,1,0,0,0,0|1,0,1]=3 1226 B11R1.279 c1cc(c(cc1CBr)F)C#N TS21598 [0,1,0,0,0,0|2,0,1]=4 1227 B11R1.279 c1cc(c(cc1CN)F)C#N TS09849 [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.464 Cc1cc([nH]c(=O)c1CN)C TS85666 [0,1,0,0,0,0|2,0,1]=4 1229 B11R1.464 Cc1cc([nH]c(=O)c1CN)C TS88043 [0,1,0,0,0,0|2,0,1]=4 1230 B11R1.464 Cc1cc([nH]c(=S)c1C#N)C TS11916 [0,1,0,0,0,0|2,0,1]=4 1231 B11R1.464 Cc1cc(c(c(c1)C)C#C)C TS07006 [0,1,0,0,0,0|1,0,1]=3 1232 B11R1.464 Cc1cc(c(c(c1)C)C#N)C TS07126 [0,1,0,0,0,0|1,0,1]=3 1233 B11R1.464 Cc1cc(c(c(c1)C)C=C)C TS40457 [0,1,0,0,0,0|1,0,0]=2 1234 B11R1.464 Cc1cc(c(c(c1)C)C=O)C TS07475 [0,1,0,0,0,0|0,0,0]=1 1235 B11R1.464 Cc1cc(c(c(c1)C)CBr)C TS44302 [0,1,0,0,0,0|1,0,1]=3 1236 B11R1.464 Cc1cc(c(c(c1)C)CCl)C TS12632 [0,1,0,0,0,0|1,0,1]=3 1237 B11R1.464 Cc1cc(c(c(c1)C)CN)C TS07602 [0,1,0,0,0,0|1,0,1]=3 1238 B11R1.464 Cc1cc(c(c(c1)C)CO)C TS09925 [0,1,0,0,0,0|0,0,2]=3 1239 B11R1.464 Cc1cc(c(c(c1)C)CS)C TS43139 [0,1,0,0,0,0|0,1,1]=3 1240 B11R1.464 Cc1cc(c(c(c1)C)NN)C TS15740 [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.464 Cc1cc(c(c(c1)C)[Mg]Br)C TS50358 [0,1,0,0,0,0|2,0,0]=3 1242 B11R1.464 Cc1cc(c(c(c1)O)C=O)O TS10138 [0,1,0,0,0,0|1,0,0]=2 1243 B11R1.464 Cc1cc(cc(c1C#N)Br)F TS16845 [0,1,0,0,0,0|2,0,1]=4 1244 B11R1.464 Cc1cc(cc(c1C#N)C)F TS07564 [0,1,0,0,0,0|2,0,1]=4 1245 B11R1.464 Cc1cc(cc(c1C#N)C)O TS39511 [0,1,0,0,0,0|2,0,1]=4 1246 B11R1.464 Cc1cc(cc(c1C=O)Br)F TS22164 [0,1,0,0,0,0|1,0,0]=2 1247 B11R1.464 Cc1cc(cc(c1C=O)C)F TS10164 [0,1,0,0,0,0|1,0,0]=2 1248 B11R1.464 Cc1cc(cc(c1C=O)C)O TS71151 [0,1,0,0,0,0|1,0,0]=2 1249 B11R1.464 Cc1cc(cc(c1CN)C)O TS41035 [0,1,0,0,0,0|2,0,1]=4 1250 B11R1.464 Cc1cc(cc(c1CO)C)F TS41378 [0,1,0,0,0,0|1,0,2]=4 1251 B11R1.464 Cc1cc(cc(c1CO)C)O TS10183 [0,1,0,0,0,0|1,0,2]=4 1252 B11R1.464 Cc1cc(cc(c1OC)C)Br TS21833 [0,1,0,0,0,0|3,0,0]=4 1253 B11R1.464 Cc1cc(cc(c1OC)C)I TS68560 [0,1,0,0,0,0|3,0,0]=4 1254 B11R1.464 Cc1cc(cc(c1OC)C)N TS10082 [0,1,0,0,0,0|3,0,0]=4 1255 B11R1.464 Cc1cc(cc(c1OC)C)S TS12579 [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.464 Cc1cc(cc(c1SC)C)O TS02601 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.464 Cc1cc(nc(c1C#N)Cl)C TS43158 [0,1,0,0,0,0|2,0,1]=4 1258 B11R1.464 Cc1cc(nc(c1C#N)N)C TS07355 [0,1,0,0,0,0|2,0,1]=4 1259 B11R1.464 Cc1cc(nc(c1C#N)O)C TS40628 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)O TS17216 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.464 c1c(cc(c(c1F)C=O)F)Br TS16925 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.464 c1c(cc(c(c1F)C=O)F)F TS00595 [0,1,0,0,0,0|2,0,0]=3 1263 B11R1.464 c1c(cc(c(c1O)C=O)Cl)Cl TS17217 [0,1,0,0,0,0|2,0,0]=3 1264 B11R1.464 c1c(cc(c(c1O)C=O)O)O TS59918 [0,1,0,0,0,0|2,0,0]=3 1265 B11R2.36 Cc1cc2c(cc[nH]2)cn1 TS05742 [0,0,0,1,0,0|3,0,0]=4 1266 B11R2.36 Cc1cc2c(cc[nH]2)nc1 TS86014 [0,0,0,1,0,0|3,0,0]=4 1267 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [0,0,0,1,0,0|2,0,0]=3 1268 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [0,0,0,1,0,0|2,0,1]=4 1269 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [0,0,0,1,0,0|3,0,0]=4 1270 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,0,0,1,0,0|3,0,0]=4 1271 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,0,0,1,0,0|2,0,1]=4 1272 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,0,0,1,0,0|2,0,1]=4 1273 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,0,0,1,0,0|2,0,1]=4 1274 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [0,0,0,1,0,0|3,0,0]=4 1275 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [0,0,0,1,0,0|3,0,0]=4 1276 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [0,0,0,1,0,0|3,0,0]=4 1277 B11R2.36 Cc1ccc2c(c1)non2 TS36810 [0,0,0,1,0,0|2,0,1]=4 1278 B11R2.36 Cc1ccc2c(c1)nsn2 TS09904 [0,0,0,1,0,0|2,1,0]=4 1279 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [0,0,0,1,0,0|3,0,0]=4 1280 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,0,0,1,0,0|3,0,0]=4 1281 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,0,0,1,0,0|2,0,0]=3 1282 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,0,0,1,0,0|2,0,0]=3 1283 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,0,0,1,0,0|2,0,0]=3 1284 B11R2.36 Cc1ccc2cn[nH]c2n1 TS36760 [0,0,0,1,0,0|3,0,0]=4 1285 B11R2.36 Cc1ccn2ccnc2c1 TS05739 [0,0,0,1,0,0|3,0,0]=4 1286 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [0,0,0,1,0,0|3,0,0]=4 1287 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [0,0,0,1,0,0|3,0,0]=4 1288 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [0,0,0,1,0,0|3,0,0]=4 1289 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [0,0,0,1,0,0|3,0,0]=4 1290 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [0,0,0,1,0,0|3,0,0]=4 1291 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [0,0,0,1,0,0|3,0,0]=4 1292 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [0,0,0,1,0,0|3,0,0]=4 1293 B11R2.36 c1cc2c(cc1Br)CNC2 TS09806 [0,0,0,1,0,0|2,0,1]=4 1294 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [0,0,0,1,0,0|3,0,0]=4 1295 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [0,0,0,1,0,0|3,0,0]=4 1296 B11R2.36 c1cc2c(cc1F)CNC2 TS39775 [0,0,0,1,0,0|2,0,1]=4 1297 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [0,0,0,1,0,0|3,0,0]=4 1298 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [0,0,0,1,0,0|2,0,1]=4 1299 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [0,0,0,1,0,0|3,0,0]=4 1300 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,0,0,1,0,0|2,0,1]=4 1301 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [0,0,0,1,0,0|3,0,0]=4 1302 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [0,0,0,1,0,0|3,0,0]=4 1303 B11R2.36 c1cc2cn[nH]c2cc1Cl TS10256 [0,0,0,1,0,0|3,0,0]=4 1304 B11R2.36 c1cc2cn[nH]c2cc1F TS01222 [0,0,0,1,0,0|3,0,0]=4 1305 B11R2.36 c1cc2cn[nH]c2cc1I TS01243 [0,0,0,1,0,0|3,0,0]=4 1306 B11R2.36 c1cc2cn[nH]c2cc1N TS46953 [0,0,0,1,0,0|3,0,0]=4 1307 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [0,0,0,1,0,0|3,0,0]=4 1308 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [0,0,0,1,0,0|3,0,0]=4 1309 B9R1.22 Cc1c(nc(o1)C)C=O TS05078 [0,0,0,0,1,0|2,0,0]=3 1310 B9R1.22 Cc1c(oc(n1)C)C=O TS05081 [0,0,0,0,1,0|2,0,0]=3 1311 B9R1.22 Cc1c(sc(n1)C)C=O TS37504 [0,0,0,0,1,0|2,0,0]=3 1312 B9R1.22 Cc1cc([nH]c1C#N)C TS04811 [0,0,0,0,1,0|2,0,1]=4 1313 B9R1.22 Cc1cc([nH]c1C=O)C TS02202 [0,0,0,0,1,0|1,0,0]=2 1314 B9R1.22 Cc1cc(c(o1)C)CN TS36058 [0,0,0,0,1,0|2,0,1]=4 1315 B9R1.22 Cc1cc(c(s1)C)C=O TS37390 [0,0,0,0,1,0|1,0,0]=2 1316 B9R1.22 Cc1cc(c(s1)C=O)Br TS38754 [0,0,0,0,1,0|2,0,0]=3 1317 B9R1.22 Cc1cc(n(n1)C)C=O TS02105 [0,0,0,0,1,0|2,0,0]=3 1318 B9R1.22 Cn1cc(c(n1)C=O)Br TS16115 [0,0,0,0,1,0|3,0,0]=4 1319 B9R1.22 Cn1cc(c(n1)C=O)Cl TS40267 [0,0,0,0,1,0|3,0,0]=4 1320 B9R1.22 Cn1cc(c(n1)N)C=O TS36051 [0,0,0,0,1,0|3,0,0]=4 1321 B9R1.132 Cc1c(cnn1C)C=O TS01993 [0,0,0,0,1,0|2,0,0]=3 1322 B9R1.132 Cc1c(ncn1C)C=O TS08686 [0,0,0,0,1,0|2,0,0]=3 1323 B9R1.132 Cc1c[nH]c(c1C)C#N TS89353 [0,0,0,0,1,0|2,0,1]=4 1324 B9R1.132 Cc1c[nH]c(c1C)C=O TS88398 [0,0,0,0,1,0|1,0,0]=2 1325 B9R1.132 Cc1ccc(n1C)C#N TS04814 [0,0,0,0,1,0|2,0,1]=4 1326 B9R1.132 Cc1ncc(n1C)C=O TS08680 [0,0,0,0,1,0|2,0,0]=3 1327 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|0,0,2]=4 1328 B8R0.9 CC(=O)C=CC(=O)OC TS36270 [1,0,1,0,0,0|2,0,0]=4 1329 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|1,0,1]=4 1330 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|1,0,0]=3 1331 B8R1.2 C=Cc1ccccn1 TS31704 [2,0,0,0,0,0|2,0,0]=4 1332 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|2,0,0]=4 1333 B8R1.2 C=Cc1ccncc1 TS33177 [2,0,0,0,0,0|2,0,0]=4 1334 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|1,0,1]=4 1335 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|2,0,0]=4 1336 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|2,0,0]=4 1337 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|2,0,0]=4 1338 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|2,0,0]=4 1339 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|2,0,0]=4 1340 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|2,0,0]=4 1341 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|1,1,0]=4 1342 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|2,0,0]=4 1343 B8R1.2 c1c(cncn1)C=O TS01668 [2,0,0,0,0,0|2,0,0]=4 1344 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|2,0,0]=4 1345 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 1346 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 1347 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|0,0,0]=2 1348 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,1]=4 1349 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,1]=4 1350 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,1]=4 1351 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,1]=4 1352 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,1]=4 1353 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|0,0,2]=4 1354 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|0,1,1]=4 1355 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|1,0,0]=3 1356 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|1,0,0]=3 1357 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 1358 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 1359 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 1360 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 1361 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|1,0,1]=4 1362 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|1,0,1]=4 1363 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 1364 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 1365 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 1366 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 1367 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 1368 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 1369 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 1370 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|1,0,0]=3 1371 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|2,0,0]=4 1372 B8R1.2 c1cnc(nc1)C=O TS02479 [2,0,0,0,0,0|2,0,0]=4 1373 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|1,0,0]=3 1374 B8R1.2 c1cncnc1C=O TS01666 [2,0,0,0,0,0|2,0,0]=4 1375 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|2,0,0]=4 1376 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [2,0,0,0,0,0|1,0,0]=3 1377 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [2,0,0,0,0,0|1,0,0]=3 1378 B8R1.3 Cc1cc[n+](cc1)C TS25680 [2,0,0,0,0,0|1,0,1]=4 1379 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [2,0,0,0,0,0|1,0,0]=3 1380 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [2,0,0,0,0,0|2,0,0]=4 1381 B8R1.3 Cc1ccc(cc1)Br TS09620 [2,0,0,0,0,0|1,0,0]=3 1382 B8R1.3 Cc1ccc(cc1)C TS04096 [2,0,0,0,0,0|0,0,1]=3 1383 B8R1.3 Cc1ccc(cc1)C TS77016 [2,0,0,0,0,0|0,0,1]=3 1384 B8R1.3 Cc1ccc(cc1)Cl TS39593 [2,0,0,0,0,0|1,0,0]=3 1385 B8R1.3 Cc1ccc(cc1)F TS31829 [2,0,0,0,0,0|1,0,0]=3 1386 B8R1.3 Cc1ccc(cc1)I TS07804 [2,0,0,0,0,0|1,0,0]=3 1387 B8R1.3 Cc1ccc(cc1)I TS67797 [2,0,0,0,0,0|1,0,0]=3 1388 B8R1.3 Cc1ccc(cc1)N TS04112 [2,0,0,0,0,0|1,0,0]=3 1389 B8R1.3 Cc1ccc(cc1)N TS40127 [2,0,0,0,0,0|1,0,0]=3 1390 B8R1.3 Cc1ccc(cc1)O TS05157 [2,0,0,0,0,0|0,0,1]=3 1391 B8R1.3 Cc1ccc(cc1)O TS94395 [2,0,0,0,0,0|0,0,1]=3 1392 B8R1.3 Cc1ccc(cc1)P TS32593 [2,0,0,0,0,0|1,0,0]=3 1393 B8R1.3 Cc1ccc(cc1)S TS39763 [2,0,0,0,0,0|0,1,0]=3 1394 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [2,0,0,0,0,0|0,1,0]=3 1395 B8R1.3 Cc1ccc(cn1)Br TS09799 [2,0,0,0,0,0|2,0,0]=4 1396 B8R1.3 Cc1ccc(cn1)Cl TS71507 [2,0,0,0,0,0|2,0,0]=4 1397 B8R1.3 Cc1ccc(cn1)F TS03302 [2,0,0,0,0,0|2,0,0]=4 1398 B8R1.3 Cc1ccc(cn1)I TS71574 [2,0,0,0,0,0|2,0,0]=4 1399 B8R1.3 Cc1ccc(cn1)N TS65872 [2,0,0,0,0,0|2,0,0]=4 1400 B8R1.3 Cc1ccc(cn1)O TS71569 [2,0,0,0,0,0|1,0,1]=4 1401 B8R1.3 Cc1ccc(nc1)Br TS55127 [2,0,0,0,0,0|2,0,0]=4 1402 B8R1.3 Cc1ccc(nc1)C TS47280 [2,0,0,0,0,0|1,0,1]=4 1403 B8R1.3 Cc1ccc(nc1)Cl TS00914 [2,0,0,0,0,0|2,0,0]=4 1404 B8R1.3 Cc1ccc(nc1)F TS01010 [2,0,0,0,0,0|2,0,0]=4 1405 B8R1.3 Cc1ccc(nc1)N TS07049 [2,0,0,0,0,0|2,0,0]=4 1406 B8R1.3 Cc1ccc(nc1)N TS47444 [2,0,0,0,0,0|2,0,0]=4 1407 B8R1.3 Cc1ccc(nc1)O TS01053 [2,0,0,0,0,0|1,0,1]=4 1408 B8R1.3 Cc1ccc(nc1)S TS05105 [2,0,0,0,0,0|1,1,0]=4 1409 B8R1.3 Cc1ccn(=O)cc1 TS09774 [2,0,0,0,0,0|1,0,0]=3 1410 B8R1.3 c1cc(ccc1Br)Br TS07885 [2,0,0,0,0,0|2,0,0]=4 1411 B8R1.3 c1cc(ccc1Br)I TS00413 [2,0,0,0,0,0|2,0,0]=4 1412 B8R1.3 c1cc(ccc1Cl)Br TS09601 [2,0,0,0,0,0|2,0,0]=4 1413 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [2,0,0,0,0,0|2,0,0]=4 1414 B8R1.3 c1cc(ccc1Cl)I TS64993 [2,0,0,0,0,0|2,0,0]=4 1415 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [2,0,0,0,0,0|2,0,0]=4 1416 B8R1.3 c1cc(ccc1F)Br TS09602 [2,0,0,0,0,0|2,0,0]=4 1417 B8R1.3 c1cc(ccc1F)Cl TS09203 [2,0,0,0,0,0|2,0,0]=4 1418 B8R1.3 c1cc(ccc1F)F TS59891 [2,0,0,0,0,0|2,0,0]=4 1419 B8R1.3 c1cc(ccc1F)I TS39508 [2,0,0,0,0,0|2,0,0]=4 1420 B8R1.3 c1cc(ccc1F)S TS05333 [2,0,0,0,0,0|1,1,0]=4 1421 B8R1.3 c1cc(ccc1F)S TS12288 [2,0,0,0,0,0|1,1,0]=4 1422 B8R1.3 c1cc(ccc1I)I TS46809 [2,0,0,0,0,0|2,0,0]=4 1423 B8R1.3 c1cc(ccc1N)Br TS70992 [2,0,0,0,0,0|2,0,0]=4 1424 B8R1.3 c1cc(ccc1N)Cl TS42659 [2,0,0,0,0,0|2,0,0]=4 1425 B8R1.3 c1cc(ccc1N)Cl TS71059 [2,0,0,0,0,0|2,0,0]=4 1426 B8R1.3 c1cc(ccc1N)F TS71137 [2,0,0,0,0,0|2,0,0]=4 1427 B8R1.3 c1cc(ccc1N)I TS71193 [2,0,0,0,0,0|2,0,0]=4 1428 B8R1.3 c1cc(ccc1N)N TS38978 [2,0,0,0,0,0|2,0,0]=4 1429 B8R1.3 c1cc(ccc1N)O TS07145 [2,0,0,0,0,0|1,0,1]=4 1430 B8R1.3 c1cc(ccc1N)O TS59709 [2,0,0,0,0,0|1,0,1]=4 1431 B8R1.3 c1cc(ccc1N)S TS39734 [2,0,0,0,0,0|1,1,0]=4 1432 B8R1.3 c1cc(ccc1O)Cl TS36377 [2,0,0,0,0,0|1,0,1]=4 1433 B8R1.3 c1cc(ccc1O)Cl TS40947 [2,0,0,0,0,0|1,0,1]=4 1434 B8R1.3 c1cc(ccc1O)F TS33165 [2,0,0,0,0,0|1,0,1]=4 1435 B8R1.3 c1cc(ccc1O)I TS59518 [2,0,0,0,0,0|1,0,1]=4 1436 B8R1.3 c1cc(ccc1O)O TS01676 [2,0,0,0,0,0|1,0,1]=4 1437 B8R1.3 c1cc(ccc1O)O TS02292 [2,0,0,0,0,0|1,0,1]=4 1438 B8R1.3 c1cc(ccc1O)O TS24537 [2,0,0,0,0,0|1,0,1]=4 1439 B8R1.3 c1cc(ccc1O)S TS36138 [2,0,0,0,0,0|1,0,1]=4 1440 B8R1.3 c1cc(ccc1S)Br TS39741 [2,0,0,0,0,0|1,1,0]=4 1441 B8R1.3 c1cc(ccc1S)Cl TS07052 [2,0,0,0,0,0|1,1,0]=4 1442 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [2,0,0,0,0,0|2,0,0]=4 1443 B8R1.3 c1cn(=O)ccc1Cl TS05502 [2,0,0,0,0,0|2,0,0]=4 1444 B8R1.5 C[n+]1ccccc1Cl TS08381 [2,0,0,0,0,0|2,0,0]=4 1445 B8R1.5 C[n+]1ccccc1Cl TS20654 [2,0,0,0,0,0|2,0,0]=4 1446 B8R1.5 Cc1c(cccn1)Br TS65908 [2,0,0,0,0,0|2,0,0]=4 1447 B8R1.5 Cc1c(cccn1)Cl TS65978 [2,0,0,0,0,0|2,0,0]=4 1448 B8R1.5 Cc1c(cccn1)F TS70573 [2,0,0,0,0,0|2,0,0]=4 1449 B8R1.5 Cc1c(cccn1)I TS02809 [2,0,0,0,0,0|2,0,0]=4 1450 B8R1.5 Cc1c(cccn1)N TS31778 [2,0,0,0,0,0|2,0,0]=4 1451 B8R1.5 Cc1c(cccn1)O TS87617 [2,0,0,0,0,0|1,0,1]=4 1452 B8R1.5 Cc1ccc[nH]c1=O TS55401 [2,0,0,0,0,0|1,0,0]=3 1453 B8R1.5 Cc1cccc[n+]1C TS25681 [2,0,0,0,0,0|1,0,1]=4 1454 B8R1.5 Cc1ccccc1Br TS00024 [2,0,0,0,0,0|1,0,0]=3 1455 B8R1.5 Cc1ccccc1C TS04099 [2,0,0,0,0,0|0,0,1]=3 1456 B8R1.5 Cc1ccccc1Cl TS36192 [2,0,0,0,0,0|1,0,0]=3 1457 B8R1.5 Cc1ccccc1F TS31828 [2,0,0,0,0,0|1,0,0]=3 1458 B8R1.5 Cc1ccccc1I TS49343 [2,0,0,0,0,0|1,0,0]=3 1459 B8R1.5 Cc1ccccc1N TS40130 [2,0,0,0,0,0|1,0,0]=3 1460 B8R1.5 Cc1ccccc1N TS46845 [2,0,0,0,0,0|1,0,0]=3 1461 B8R1.5 Cc1ccccc1O TS31768 [2,0,0,0,0,0|0,0,1]=3 1462 B8R1.5 Cc1ccccc1S TS05037 [2,0,0,0,0,0|0,1,0]=3 1463 B8R1.5 Cc1ccccn1=O TS00106 [2,0,0,0,0,0|1,0,0]=3 1464 B8R1.5 Cc1cccnc1Br TS08310 [2,0,0,0,0,0|2,0,0]=4 1465 B8R1.5 Cc1cccnc1C TS07903 [2,0,0,0,0,0|1,0,1]=4 1466 B8R1.5 Cc1cccnc1Cl TS55203 [2,0,0,0,0,0|2,0,0]=4 1467 B8R1.5 Cc1cccnc1F TS08402 [2,0,0,0,0,0|2,0,0]=4 1468 B8R1.5 Cc1cccnc1I TS01069 [2,0,0,0,0,0|2,0,0]=4 1469 B8R1.5 Cc1cccnc1N TS00720 [2,0,0,0,0,0|2,0,0]=4 1470 B8R1.5 Cc1cccnc1N TS01794 [2,0,0,0,0,0|2,0,0]=4 1471 B8R1.5 Cc1cccnc1O TS31800 [2,0,0,0,0,0|1,0,1]=4 1472 B8R1.5 Cc1cccnc1[Zn+] TS26092 [2,0,0,0,0,0|2,0,0]=4 1473 B8R1.5 Cc1ccn[nH]c1=O TS70611 [2,0,0,0,0,0|2,0,0]=4 1474 B8R1.5 Cc1ccncc1Br TS09458 [2,0,0,0,0,0|2,0,0]=4 1475 B8R1.5 Cc1ccncc1C TS00124 [2,0,0,0,0,0|1,0,1]=4 1476 B8R1.5 Cc1ccncc1Cl TS65986 [2,0,0,0,0,0|2,0,0]=4 1477 B8R1.5 Cc1ccncc1F TS70582 [2,0,0,0,0,0|2,0,0]=4 1478 B8R1.5 Cc1ccncc1N TS02641 [2,0,0,0,0,0|2,0,0]=4 1479 B8R1.5 Cc1ccncc1O TS03183 [2,0,0,0,0,0|1,0,1]=4 1480 B8R1.5 Cc1cnccc1Br TS39326 [2,0,0,0,0,0|2,0,0]=4 1481 B8R1.5 Cc1cnccc1Br TS88793 [2,0,0,0,0,0|2,0,0]=4 1482 B8R1.5 Cc1cnccc1F TS71122 [2,0,0,0,0,0|2,0,0]=4 1483 B8R1.5 Cc1cnccc1N TS70892 [2,0,0,0,0,0|2,0,0]=4 1484 B8R1.5 Cc1cnccc1O TS70666 [2,0,0,0,0,0|1,0,1]=4 1485 B8R1.5 Cn1ccccc1=O TS31799 [2,0,0,0,0,0|1,0,0]=3 1486 B8R1.5 Cn1ccccc1=S TS05102 [2,0,0,0,0,0|1,1,0]=4 1487 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [2,0,0,0,0,0|2,0,0]=4 1488 B8R1.5 c1cc(c(=O)oc1)O TS00155 [2,0,0,0,0,0|2,0,0]=4 1489 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [2,0,0,0,0,0|2,0,0]=4 1490 B8R1.5 c1ccc(c(c1)Br)I TS65287 [2,0,0,0,0,0|2,0,0]=4 1491 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [2,0,0,0,0,0|2,0,0]=4 1492 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [2,0,0,0,0,0|2,0,0]=4 1493 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [2,0,0,0,0,0|2,0,0]=4 1494 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [2,0,0,0,0,0|2,0,0]=4 1495 B8R1.5 c1ccc(c(c1)F)Br TS46916 [2,0,0,0,0,0|2,0,0]=4 1496 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [2,0,0,0,0,0|2,0,0]=4 1497 B8R1.5 c1ccc(c(c1)F)F TS07875 [2,0,0,0,0,0|2,0,0]=4 1498 B8R1.5 c1ccc(c(c1)F)I TS65430 [2,0,0,0,0,0|2,0,0]=4 1499 B8R1.5 c1ccc(c(c1)F)S TS46406 [2,0,0,0,0,0|1,1,0]=4 1500 B8R1.5 c1ccc(c(c1)I)I TS65275 [2,0,0,0,0,0|2,0,0]=4 1501 B8R1.5 c1ccc(c(c1)N)Br TS20655 [2,0,0,0,0,0|2,0,0]=4 1502 B8R1.5 c1ccc(c(c1)N)Br TS55149 [2,0,0,0,0,0|2,0,0]=4 1503 B8R1.5 c1ccc(c(c1)N)F TS39663 [2,0,0,0,0,0|2,0,0]=4 1504 B8R1.5 c1ccc(c(c1)N)I TS01078 [2,0,0,0,0,0|2,0,0]=4 1505 B8R1.5 c1ccc(c(c1)N)N TS31770 [2,0,0,0,0,0|2,0,0]=4 1506 B8R1.5 c1ccc(c(c1)N)N TS38979 [2,0,0,0,0,0|2,0,0]=4 1507 B8R1.5 c1ccc(c(c1)N)N TS48029 [2,0,0,0,0,0|2,0,0]=4 1508 B8R1.5 c1ccc(c(c1)N)O TS00817 [2,0,0,0,0,0|1,0,1]=4 1509 B8R1.5 c1ccc(c(c1)N)O TS07143 [2,0,0,0,0,0|1,0,1]=4 1510 B8R1.5 c1ccc(c(c1)N)O TS76832 [2,0,0,0,0,0|1,0,1]=4 1511 B8R1.5 c1ccc(c(c1)N)S TS47467 [2,0,0,0,0,0|1,1,0]=4 1512 B8R1.5 c1ccc(c(c1)O)Br TS00855 [2,0,0,0,0,0|1,0,1]=4 1513 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [2,0,0,0,0,0|1,0,1]=4 1514 B8R1.5 c1ccc(c(c1)O)F TS04282 [2,0,0,0,0,0|1,0,1]=4 1515 B8R1.5 c1ccc(c(c1)O)I TS49691 [2,0,0,0,0,0|1,0,1]=4 1516 B8R1.5 c1ccc(c(c1)O)O TS01670 [2,0,0,0,0,0|1,0,1]=4 1517 B8R1.5 c1ccc(c(c1)O)S TS36136 [2,0,0,0,0,0|1,0,1]=4 1518 B8R1.5 c1ccc(c(c1)P)P TS06642 [2,0,0,0,0,0|2,0,0]=4 1519 B8R1.5 c1ccc(c(c1)S)Br TS50856 [2,0,0,0,0,0|1,1,0]=4 1520 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [2,0,0,0,0,0|1,1,0]=4 1521 B8R1.5 c1ccc(c(c1)S)S TS06772 [2,0,0,0,0,0|1,1,0]=4 1522 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [2,0,0,0,0,0|2,0,0]=4 1523 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [2,0,0,0,0,0|2,0,0]=4 1524 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [2,0,0,0,0,0|2,0,0]=4 1525 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [2,0,0,0,0,0|2,0,0]=4 1526 B8R1.5 c1ccn(=O)c(c1)N TS04192 [2,0,0,0,0,0|2,0,0]=4 1527 B8R1.5 c1ccn(=O)c(c1)O TS04239 [2,0,0,0,0,0|2,0,0]=4 1528 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [2,0,0,0,0,0|2,0,0]=4 1529 B8R1.4 CC1=CCC=C(C1)C TS04144 [2,0,0,0,0,0|0,0,2]=4 1530 B8R1.4 C[n+]1cccc(c1)Br TS74567 [2,0,0,0,0,0|2,0,0]=4 1531 B8R1.4 Cc1cc(ccn1)Br TS20656 [2,0,0,0,0,0|2,0,0]=4 1532 B8R1.4 Cc1cc(ccn1)Br TS85446 [2,0,0,0,0,0|2,0,0]=4 1533 B8R1.4 Cc1cc(ccn1)Cl TS42660 [2,0,0,0,0,0|2,0,0]=4 1534 B8R1.4 Cc1cc(ccn1)Cl TS71029 [2,0,0,0,0,0|2,0,0]=4 1535 B8R1.4 Cc1cc(ccn1)F TS04247 [2,0,0,0,0,0|2,0,0]=4 1536 B8R1.4 Cc1cc(ccn1)I TS22520 [2,0,0,0,0,0|2,0,0]=4 1537 B8R1.4 Cc1cc(ccn1)N TS93456 [2,0,0,0,0,0|2,0,0]=4 1538 B8R1.4 Cc1cc(ccn1)O TS03105 [2,0,0,0,0,0|2,0,0]=4 1539 B8R1.4 Cc1cc(cnc1)Br TS65935 [2,0,0,0,0,0|2,0,0]=4 1540 B8R1.4 Cc1cc(cnc1)C TS31757 [2,0,0,0,0,0|1,0,0]=3 1541 B8R1.4 Cc1cc(cnc1)Cl TS66000 [2,0,0,0,0,0|2,0,0]=4 1542 B8R1.4 Cc1cc(cnc1)F TS70587 [2,0,0,0,0,0|2,0,0]=4 1543 B8R1.4 Cc1cc(cnc1)N TS02653 [2,0,0,0,0,0|2,0,0]=4 1544 B8R1.4 Cc1cc(cnc1)O TS70616 [2,0,0,0,0,0|2,0,0]=4 1545 B8R1.4 Cc1cc(ncn1)C TS02936 [2,0,0,0,0,0|2,0,0]=4 1546 B8R1.4 Cc1cccc(c1)Br TS39711 [2,0,0,0,0,0|1,0,0]=3 1547 B8R1.4 Cc1cccc(c1)C TS04101 [2,0,0,0,0,0|0,0,0]=2 1548 B8R1.4 Cc1cccc(c1)Cl TS36194 [2,0,0,0,0,0|1,0,0]=3 1549 B8R1.4 Cc1cccc(c1)F TS31827 [2,0,0,0,0,0|1,0,0]=3 1550 B8R1.4 Cc1cccc(c1)I TS49342 [2,0,0,0,0,0|1,0,0]=3 1551 B8R1.4 Cc1cccc(c1)N TS04111 [2,0,0,0,0,0|1,0,0]=3 1552 B8R1.4 Cc1cccc(c1)N TS40126 [2,0,0,0,0,0|1,0,0]=3 1553 B8R1.4 Cc1cccc(c1)O TS31767 [2,0,0,0,0,0|1,0,0]=3 1554 B8R1.4 Cc1cccc(c1)S TS05038 [2,0,0,0,0,0|1,0,0]=3 1555 B8R1.4 Cc1cccc(n1)Br TS08371 [2,0,0,0,0,0|2,0,0]=4 1556 B8R1.4 Cc1cccc(n1)Br TS94756 [2,0,0,0,0,0|2,0,0]=4 1557 B8R1.4 Cc1cccc(n1)C TS60248 [2,0,0,0,0,0|1,0,0]=3 1558 B8R1.4 Cc1cccc(n1)Cl TS00936 [2,0,0,0,0,0|2,0,0]=4 1559 B8R1.4 Cc1cccc(n1)F TS55370 [2,0,0,0,0,0|2,0,0]=4 1560 B8R1.4 Cc1cccc(n1)I TS59623 [2,0,0,0,0,0|2,0,0]=4 1561 B8R1.4 Cc1cccc(n1)N TS47459 [2,0,0,0,0,0|2,0,0]=4 1562 B8R1.4 Cc1cccc(n1)O TS01270 [2,0,0,0,0,0|2,0,0]=4 1563 B8R1.4 Cc1cccc(n1)S TS05106 [2,0,0,0,0,0|2,0,0]=4 1564 B8R1.4 Cc1cccn(=O)c1 TS02882 [2,0,0,0,0,0|2,0,0]=4 1565 B8R1.4 Cc1ccnc(c1)Br TS08333 [2,0,0,0,0,0|2,0,0]=4 1566 B8R1.4 Cc1ccnc(c1)C TS07700 [2,0,0,0,0,0|1,0,0]=3 1567 B8R1.4 Cc1ccnc(c1)Cl TS55236 [2,0,0,0,0,0|2,0,0]=4 1568 B8R1.4 Cc1ccnc(c1)F TS85429 [2,0,0,0,0,0|2,0,0]=4 1569 B8R1.4 Cc1ccnc(c1)I TS33096 [2,0,0,0,0,0|2,0,0]=4 1570 B8R1.4 Cc1ccnc(c1)O TS01045 [2,0,0,0,0,0|2,0,0]=4 1571 B8R1.4 Cc1cncc(n1)C TS31775 [2,0,0,0,0,0|2,0,0]=4 1572 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [2,0,0,0,0,0|2,0,0]=4 1573 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [2,0,0,0,0,0|2,0,0]=4 1574 B8R1.4 c1cc(cc(c1)Br)F TS65943 [2,0,0,0,0,0|2,0,0]=4 1575 B8R1.4 c1cc(cc(c1)Br)N TS60009 [2,0,0,0,0,0|2,0,0]=4 1576 B8R1.4 c1cc(cc(c1)Br)O TS65958 [2,0,0,0,0,0|2,0,0]=4 1577 B8R1.4 c1cc(cc(c1)Br)S TS09503 [2,0,0,0,0,0|2,0,0]=4 1578 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [2,0,0,0,0,0|2,0,0]=4 1579 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [2,0,0,0,0,0|2,0,0]=4 1580 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [2,0,0,0,0,0|2,0,0]=4 1581 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [2,0,0,0,0,0|2,0,0]=4 1582 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [2,0,0,0,0,0|2,0,0]=4 1583 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [2,0,0,0,0,0|2,0,0]=4 1584 B8R1.4 c1cc(cc(c1)F)F TS07881 [2,0,0,0,0,0|2,0,0]=4 1585 B8R1.4 c1cc(cc(c1)F)N TS07389 [2,0,0,0,0,0|2,0,0]=4 1586 B8R1.4 c1cc(cc(c1)F)N TS70590 [2,0,0,0,0,0|2,0,0]=4 1587 B8R1.4 c1cc(cc(c1)F)O TS70601 [2,0,0,0,0,0|2,0,0]=4 1588 B8R1.4 c1cc(cc(c1)I)Br TS46926 [2,0,0,0,0,0|2,0,0]=4 1589 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [2,0,0,0,0,0|2,0,0]=4 1590 B8R1.4 c1cc(cc(c1)I)F TS70597 [2,0,0,0,0,0|2,0,0]=4 1591 B8R1.4 c1cc(cc(c1)I)I TS65281 [2,0,0,0,0,0|2,0,0]=4 1592 B8R1.4 c1cc(cc(c1)I)N TS39444 [2,0,0,0,0,0|2,0,0]=4 1593 B8R1.4 c1cc(cc(c1)I)O TS49693 [2,0,0,0,0,0|2,0,0]=4 1594 B8R1.4 c1cc(cc(c1)N)N TS31777 [2,0,0,0,0,0|2,0,0]=4 1595 B8R1.4 c1cc(cc(c1)N)N TS38980 [2,0,0,0,0,0|2,0,0]=4 1596 B8R1.4 c1cc(cc(c1)N)N TS48030 [2,0,0,0,0,0|2,0,0]=4 1597 B8R1.4 c1cc(cc(c1)O)N TS07147 [2,0,0,0,0,0|2,0,0]=4 1598 B8R1.4 c1cc(cc(c1)O)N TS39704 [2,0,0,0,0,0|2,0,0]=4 1599 B8R1.4 c1cc(cc(c1)O)O TS04191 [2,0,0,0,0,0|2,0,0]=4 1600 B8R1.4 c1cc(cc(c1)S)F TS02772 [2,0,0,0,0,0|2,0,0]=4 1601 B8R1.4 c1cc(cc(c1)S)N TS05107 [2,0,0,0,0,0|2,0,0]=4 1602 B8R1.4 c1cc(cc(c1)S)O TS00159 [2,0,0,0,0,0|2,0,0]=4 1603 B8R1.4 c1cc(cc(c1)S)S TS06771 [2,0,0,0,0,0|2,0,0]=4 1604 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [2,0,0,0,0,0|2,0,0]=4 1605 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|1,0,1]=4 1607 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|1,0,1]=4 1608 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|1,0,1]=4 1609 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,1,0,0,0,0|0,0,1]=3 1610 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,1,0,0,0,0|1,0,1]=4 1611 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|1,0,0]=3 1612 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|0,0,0]=2 1613 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|0,0,2]=4 1616 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|1,0,1]=4 1617 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [1,1,0,0,0,0|0,0,1]=3 1618 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [1,1,0,0,0,0|0,1,1]=4 1619 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [1,1,0,0,0,0|0,0,0]=2 1620 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,1,0,0,0,0|1,0,1]=4 1621 B10R1.1 Cc1ccc(cn1)N=C=O TS36819 [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [1,1,0,0,0,0|1,0,1]=4 1623 B10R1.1 c1cc(ccc1C=NO)F TS37276 [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|1,0,0]=3 1625 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|1,0,0]=3 1626 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|1,0,0]=3 1627 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|1,0,0]=3 1628 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|1,0,0]=3 1629 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [1,1,0,0,0,0|1,0,1]=4 1631 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [1,1,0,0,0,0|1,0,1]=4 1632 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [1,1,0,0,0,0|1,0,1]=4 1633 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [1,1,0,0,0,0|1,0,0]=3 1634 B10R1.1 c1cc(ccc1NC=O)F TS37270 [1,1,0,0,0,0|1,0,0]=3 1635 B10R1.1 c1cc(ccc1NC=O)O TS37097 [1,1,0,0,0,0|1,0,0]=3 1636 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,1,0,0,0,0|0,0,1]=3 1637 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [1,1,0,0,0,0|1,0,1]=4 1638 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [1,1,0,0,0,0|1,0,1]=4 1639 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,1,0,0,0,0|0,0,1]=3 1640 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,1,0,0,0,0|1,0,0]=3 1641 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,1,0,0,0,0|1,0,0]=3 1642 B10R1.3 CCc1ccc(cc1)C#C TS59670 [1,1,0,0,0,0|1,0,1]=4 1643 B10R1.3 CCc1ccc(cc1)C#N TS05665 [1,1,0,0,0,0|1,0,1]=4 1644 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,1,0,0,0,0|1,0,0]=3 1645 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,1,0,0,0,0|0,0,0]=2 1646 B10R1.3 CCc1ccc(cc1)CC TS05932 [1,1,0,0,0,0|1,0,1]=4 1647 B10R1.3 CCc1ccc(cc1)CCl TS07791 [1,1,0,0,0,0|1,0,1]=4 1648 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,1,0,0,0,0|1,0,1]=4 1649 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,1,0,0,0,0|0,0,2]=4 1650 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,1,0,0,0,0|1,0,1]=4 1651 B10R1.3 CCc1ccc(nc1)C=C TS65158 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.3 CCc1ncc(cn1)C=O TS55317 [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,1,0,0,0,0|1,0,0]=3 1658 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,1,0,0,0,0|0,0,0]=2 1659 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,1,0,0,0,0|1,0,1]=4 1660 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,1,0,0,0,0|1,0,1]=4 1661 B10R1.3 COc1ccc(cc1)CN TS03142 [1,1,0,0,0,0|1,0,1]=4 1662 B10R1.3 COc1ccc(cc1)CS TS03144 [1,1,0,0,0,0|0,1,1]=4 1663 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,1,0,0,0,0|1,0,1]=4 1664 B10R1.3 COc1ccc(cc1)NN TS45874 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.3 COc1ccc(cc1)OC TS07887 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.3 COc1ccc(cc1)SC TS41410 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,1,0,0,0,0|1,0,0]=3 1671 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,1,0,0,0,0|1,0,0]=3 1672 B10R1.3 COc1ncc(cn1)C=O TS55436 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.3 CSc1ccc(cc1)C#N TS40765 [1,1,0,0,0,0|1,0,1]=4 1674 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,1,0,0,0,0|0,0,0]=2 1675 B10R1.3 CSc1ccc(cc1)CCl TS13280 [1,1,0,0,0,0|1,0,1]=4 1676 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,1,0,0,0,0|0,0,2]=4 1677 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [1,1,0,0,0,0|2,0,0]=4 1679 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.3 CSc1ncc(cn1)C=O TS00520 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,1,0,0,0,0|0,0,1]=3 1682 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,1,0,0,0,0|0,0,1]=3 1683 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [1,1,0,0,0,0|1,0,1]=4 1684 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,1,0,0,0,0|0,0,0]=2 1685 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [1,1,0,0,0,0|1,0,1]=4 1686 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [1,1,0,0,0,0|1,0,1]=4 1687 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [1,1,0,0,0,0|1,0,1]=4 1688 B10R1.3 c1cc(ccc1CN)C#N TS03059 [1,1,0,0,0,0|1,0,1]=4 1689 B10R1.3 c1cc(ccc1CN)C#N TS16889 [1,1,0,0,0,0|1,0,1]=4 1690 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,1,0,0,0,0|0,0,2]=4 1691 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,1,0,0,0,0|0,0,2]=4 1692 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,1,0,0,0,0|1,0,1]=4 1693 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,1,0,0,0,0|0,0,2]=4 1694 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,1,0,0,0,0|0,0,2]=4 1695 B10R1.3 c1cc(ccc1CS)CS TS12899 [1,1,0,0,0,0|0,1,1]=4 1696 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [1,1,0,0,0,0|1,0,1]=4 1697 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,1,0,0,0,0|1,0,1]=4 1698 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|1,0,0]=3 1701 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|1,0,0]=3 1702 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|1,0,0]=3 1703 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|1,0,0]=3 1704 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|1,0,0]=3 1705 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,1,0,0,0,0|1,0,0]=3 1714 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,1,0,0,0,0|1,0,0]=3 1715 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,1,0,0,0,0|1,0,0]=3 1716 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|0,0,0]=2 1717 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,1,0,0,0,0|0,0,0]=2 1718 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,1,0,0,0,0|0,0,0]=2 1719 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,1,0,0,0,0|0,0,0]=2 1720 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,1,0,0,0,0|0,1,0]=3 1721 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,1,0,0,0,0|1,0,1]=4 1722 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,1,0,0,0,0|1,0,1]=4 1723 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,1,0,0,0,0|1,0,1]=4 1724 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,1,0,0,0,0|0,0,2]=4 1725 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,1,0,0,0,0|1,0,1]=4 1726 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,1,0,0,0,0|1,0,0]=3 1728 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,1,0,0,0,0|1,0,0]=3 1729 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,1,0,0,0,0|1,0,0]=3 1730 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,1,0,0,0,0|1,0,0]=3 1731 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,1,0,0,0,0|1,0,0]=3 1732 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,1,0,0,0,0|1,0,0]=3 1733 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,1,0,0,0,0|1,0,0]=3 1734 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,1,0,0,0,0|1,0,0]=3 1735 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,1,0,0,0,0|1,0,1]=4 1736 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,1,0,0,0,0|1,0,1]=4 1737 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,1,0,0,0,0|1,0,1]=4 1738 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,1,0,0,0,0|1,0,0]=3 1739 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,1,0,0,0,0|1,0,0]=3 1740 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,1,0,0,0,0|1,0,0]=3 1741 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,1,0,0,0,0|1,0,0]=3 1742 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [1,1,0,0,0,0|1,1,0]=4 1743 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,1,0,0,0,0|1,0,0]=3 1745 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,1,0,0,0,0|1,0,0]=3 1746 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,1,0,0,0,0|2,0,0]=4 1754 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,1,0,0,0,0|2,0,0]=4 1755 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,1,0,0,0,0|1,0,0]=3 1762 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,1,0,0,0,0|1,0,0]=3 1763 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,1,0,0,0,0|1,0,0]=3 1764 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,1,0,0,0,0|1,0,0]=3 1765 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,1,0,0,0,0|1,0,0]=3 1766 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,1,0,0,0,0|1,0,0]=3 1767 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,1,0,0,0,0|1,0,0]=3 1768 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,1,0,0,0,0|1,0,0]=3 1769 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,1,0,0,0,0|1,0,0]=3 1770 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,1,0,0,0,0|1,0,0]=3 1771 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,1,0,0,0,0|1,0,0]=3 1772 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,1,0,0,0,0|1,0,0]=3 1773 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,1,0,0,0,0|1,0,0]=3 1774 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,1,0,0,0,0|1,0,0]=3 1775 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,1,0,0,0,0|1,0,0]=3 1776 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,1,0,0,0,0|1,0,0]=3 1777 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,1,0,0,0,0|1,0,0]=3 1778 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,1,0,0,0,0|1,0,0]=3 1779 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,1,0,0,0,0|1,0,0]=3 1780 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,1,0,0,0,0|1,0,0]=3 1781 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,1,0,0,0,0|1,0,0]=3 1782 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,1,0,0,0,0|1,0,0]=3 1783 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,1,0,0,0,0|1,0,0]=3 1784 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,1,0,0,0,0|1,1,0]=4 1785 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,1,0,0,0,0|1,1,0]=4 1786 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,1,0,0,0,0|1,1,0]=4 1787 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,1,0,0,0,0|1,1,0]=4 1788 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,1,0,0,0,0|1,1,0]=4 1789 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,1,0,0,0,0|2,0,0]=4 1796 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,1,0,0,0,0|2,0,0]=4 1797 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,1,0,0,0,0|2,0,0]=4 1798 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,1,0,0,0,0|2,0,0]=4 1799 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,1,0,0,0,0|2,0,0]=4 1800 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,1,0,0,0,0|2,0,0]=4 1801 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,1,0,0,0,0|2,0,0]=4 1802 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,1,0,0,0,0|2,0,0]=4 1803 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,1,0,0,0,0|2,0,0]=4 1804 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,1,0,0,0,0|2,0,0]=4 1805 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,1,0,0,0,0|2,0,0]=4 1806 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,1,0,0,0,0|2,0,0]=4 1807 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,1,0,0,0,0|2,0,0]=4 1808 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,1,0,0,0,0|2,0,0]=4 1809 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,1,0,0,0,0|2,0,0]=4 1810 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,1,0,0,0,0|2,0,0]=4 1811 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,1,0,0,0,0|2,0,0]=4 1812 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,1,0,0,0,0|2,0,0]=4 1813 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,1,0,0,0,0|2,0,0]=4 1814 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,1,0,0,0,0|2,0,0]=4 1815 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,1,0,0,0,0|2,0,0]=4 1816 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [1,1,0,0,0,0|2,0,0]=4 1822 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [1,1,0,0,0,0|2,0,0]=4 1823 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,1,0,0,0,0|1,0,1]=4 1824 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [1,1,0,0,0,0|2,0,0]=4 1825 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,1,0,0,0,0|1,0,0]=3 1826 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,1,0,0,0,0|1,0,0]=3 1827 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [1,1,0,0,0,0|2,0,0]=4 1828 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [1,1,0,0,0,0|2,0,0]=4 1829 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [1,1,0,0,0,0|2,0,0]=4 1830 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [1,1,0,0,0,0|1,0,1]=4 1831 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [1,1,0,0,0,0|1,0,1]=4 1832 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,1,0,0,0,0|0,0,0]=2 1833 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,1,0,0,0,0|1,0,1]=4 1834 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,1,0,0,0,0|1,0,1]=4 1835 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|0,0,2]=4 1836 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [1,1,0,0,0,0|1,0,1]=4 1839 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,1,0,0,0,0|0,0,0]=2 1840 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [1,1,0,0,0,0|1,0,1]=4 1841 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [1,1,0,0,0,0|1,0,1]=4 1842 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,1,0,0,0,0|0,0,2]=4 1843 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [1,1,0,0,0,0|2,0,0]=4 1844 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [1,1,0,0,0,0|2,0,0]=4 1845 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [1,1,0,0,0,0|1,0,1]=4 1846 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [1,1,0,0,0,0|1,0,1]=4 1847 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [1,1,0,0,0,0|1,0,1]=4 1848 B10R1.176 Cc1ccc(cc1F)CN TS65517 [1,1,0,0,0,0|1,0,1]=4 1849 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,1,0,0,0,0|0,0,2]=4 1850 B10R1.176 Cc1ccc(cc1F)NN TS65519 [1,1,0,0,0,0|2,0,0]=4 1851 B10R1.176 Cc1ccc(cc1F)OC TS65516 [1,1,0,0,0,0|2,0,0]=4 1852 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [1,1,0,0,0,0|1,0,1]=4 1853 B10R1.176 Cc1ccc(cc1N)OC TS39535 [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,1,0,0,0,0|0,0,0]=2 1855 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [1,1,0,0,0,0|1,0,0]=3 1856 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [1,1,0,0,0,0|2,0,0]=4 1857 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [1,1,0,0,0,0|2,0,0]=4 1858 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [1,1,0,0,0,0|1,0,0]=3 1859 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [1,1,0,0,0,0|1,0,0]=3 1860 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,1,0,0,0,0|1,0,0]=3 1861 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [1,1,0,0,0,0|1,0,0]=3 1862 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [1,1,0,0,0,0|1,0,0]=3 1863 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [1,1,0,0,0,0|1,0,0]=3 1864 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [1,1,0,0,0,0|1,0,0]=3 1865 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [1,1,0,0,0,0|1,0,0]=3 1866 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [1,1,0,0,0,0|1,0,0]=3 1867 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [1,1,0,0,0,0|1,0,0]=3 1868 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [1,1,0,0,0,0|1,0,0]=3 1869 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [1,1,0,0,0,0|1,0,0]=3 1870 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [1,1,0,0,0,0|1,0,0]=3 1871 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [1,1,0,0,0,0|1,0,0]=3 1872 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,1,0,0,0,0|1,0,0]=3 1873 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,1,0,0,0,0|1,0,0]=3 1874 B10R1.2 CCc1cccc(c1C)C TS36862 [1,1,0,0,0,0|1,0,1]=4 1875 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.2 Cc1c(cccc1Cl)C#N TS41068 [1,1,0,0,0,0|1,0,1]=4 1877 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [1,1,0,0,0,0|2,0,0]=4 1878 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [1,1,0,0,0,0|2,0,0]=4 1879 B10R1.2 Cc1c(cccc1F)C#N TS08978 [1,1,0,0,0,0|1,0,1]=4 1880 B10R1.2 Cc1c(cccc1F)C=O TS08977 [1,1,0,0,0,0|0,0,0]=2 1881 B10R1.2 Cc1c(cccc1F)CO TS09370 [1,1,0,0,0,0|0,0,2]=4 1882 B10R1.2 Cc1c(cccc1N)CO TS37119 [1,1,0,0,0,0|0,0,2]=4 1883 B10R1.2 Cc1c(cccc1OC)N TS70644 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.2 Cc1cccc(c1C)C#N TS05675 [1,1,0,0,0,0|1,0,1]=4 1885 B10R1.2 Cc1cccc(c1C)C=O TS59680 [1,1,0,0,0,0|0,0,0]=2 1886 B10R1.2 Cc1cccc(c1C)CBr TS46745 [1,1,0,0,0,0|1,0,1]=4 1887 B10R1.2 Cc1cccc(c1C)CCl TS41469 [1,1,0,0,0,0|1,0,1]=4 1888 B10R1.2 Cc1cccc(c1C)CN TS36950 [1,1,0,0,0,0|1,0,1]=4 1889 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,1,0,0,0,0|0,0,2]=4 1890 B10R1.2 Cc1cccc(c1C)NN TS13271 [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.2 Cc1cccc(c1C)NN TS51214 [1,1,0,0,0,0|2,0,0]=4 1892 B10R1.2 Cc1cccc(c1C)OC TS02345 [1,1,0,0,0,0|2,0,0]=4 1893 B10R1.2 Cc1cccc(c1F)C=O TS37170 [1,1,0,0,0,0|1,0,0]=3 1894 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,1,0,0,0,0|1,0,0]=3 1895 B10R1.2 Cc1ccnc(c1Cl)C=O TS10624 [1,1,0,0,0,0|2,0,0]=4 1896 B10R1.2 Cc1ccnc(c1F)C=O TS02040 [1,1,0,0,0,0|2,0,0]=4 1897 B10R1.2 c1cc(c(c(c1)Br)Br)C=O TS29979 [1,1,0,0,0,0|1,0,0]=3 1898 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [1,1,0,0,0,0|1,0,0]=3 1899 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O TS47149 [1,1,0,0,0,0|1,0,0]=3 1900 B10R1.2 c1cc(c(c(c1)Cl)F)C=O TS65968 [1,1,0,0,0,0|1,0,0]=3 1901 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.2 c1cc(c(c(c1)F)Br)C=O TS38367 [1,1,0,0,0,0|1,0,0]=3 1903 B10R1.2 c1cc(c(c(c1)F)Cl)C=O TS08398 [1,1,0,0,0,0|1,0,0]=3 1904 B10R1.2 c1cc(c(c(c1)F)F)C=O TS00555 [1,1,0,0,0,0|1,0,0]=3 1905 B10R1.2 c1cc(c(c(c1)F)I)C=O TS09366 [1,1,0,0,0,0|1,0,0]=3 1906 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [1,1,0,0,0,0|1,0,0]=3 1907 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [1,1,0,0,0,0|1,0,0]=3 1908 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [1,1,0,0,0,0|1,0,0]=3 1909 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [1,1,0,0,0,0|1,0,0]=3 1910 B10R1.2 c1cnc(c(c1C=O)Cl)Cl TS46032 [1,1,0,0,0,0|2,0,0]=4 1911 B10R1.2 c1cnc(c(c1C=O)F)Cl TS08399 [1,1,0,0,0,0|2,0,0]=4 1912 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|2,0,0]=4 1913 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|2,0,0]=4 1914 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|2,0,0]=4 1915 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|1,0,1]=4 1916 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|1,0,1]=4 1917 B10R1.4 C[n+]1ccccc1C=NO TS45570 [1,1,0,0,0,0|1,0,1]=4 1918 B10R1.4 C[n+]1ccccc1C=NO TS68776 [1,1,0,0,0,0|1,0,1]=4 1919 B10R1.4 Cc1ccccc1CC#N TS05669 [1,1,0,0,0,0|1,0,1]=4 1920 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|1,0,0]=3 1921 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,1]=4 1922 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|0,0,2]=4 1923 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|1,0,1]=4 1924 B10R1.4 Cc1ccccc1N=C=O TS16709 [1,1,0,0,0,0|0,0,1]=3 1925 B10R1.4 Cc1ccccc1N=C=S TS40763 [1,1,0,0,0,0|0,1,1]=4 1926 B10R1.4 Cc1ccccc1NC=O TS36923 [1,1,0,0,0,0|0,0,0]=2 1927 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,1,0,0,0,0|2,0,0]=4 1928 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [1,1,0,0,0,0|1,0,1]=4 1929 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [1,1,0,0,0,0|1,0,1]=4 1930 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [1,1,0,0,0,0|1,0,1]=4 1931 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [1,1,0,0,0,0|1,0,1]=4 1932 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [1,1,0,0,0,0|1,0,1]=4 1933 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [1,1,0,0,0,0|1,0,1]=4 1934 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [1,1,0,0,0,0|1,0,1]=4 1935 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [1,1,0,0,0,0|1,0,1]=4 1936 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [1,1,0,0,0,0|1,0,0]=3 1937 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [1,1,0,0,0,0|1,0,0]=3 1938 B10R1.20 C#Cc1ccccc1C=O TS36474 [1,1,0,0,0,0|0,0,1]=3 1939 B10R1.20 C=Cc1ccccc1C=C TS36515 [1,1,0,0,0,0|1,0,1]=4 1940 B10R1.20 CCc1ccccc1C#N TS59966 [1,1,0,0,0,0|1,0,1]=4 1941 B10R1.20 CCc1ccccc1C=O TS36837 [1,1,0,0,0,0|0,0,0]=2 1942 B10R1.20 CCc1ccccc1CC TS36854 [1,1,0,0,0,0|1,0,1]=4 1943 B10R1.20 CCc1ccccc1NN TS59967 [1,1,0,0,0,0|2,0,0]=4 1944 B10R1.20 CCc1ccccc1OC TS06091 [1,1,0,0,0,0|1,0,1]=4 1945 B10R1.20 CNc1c(cccn1)C=O TS06056 [1,1,0,0,0,0|1,0,0]=3 1946 B10R1.20 CNc1ccccc1OC TS06193 [1,1,0,0,0,0|2,0,0]=4 1947 B10R1.20 COc1c(cccn1)C=O TS55430 [1,1,0,0,0,0|1,0,0]=3 1948 B10R1.20 COc1ccccc1C#C TS55428 [1,1,0,0,0,0|1,0,1]=4 1949 B10R1.20 COc1ccccc1C#N TS02018 [1,1,0,0,0,0|1,0,1]=4 1950 B10R1.20 COc1ccccc1C=C TS36839 [1,1,0,0,0,0|1,0,0]=3 1951 B10R1.20 COc1ccccc1C=O TS00088 [1,1,0,0,0,0|0,0,0]=2 1952 B10R1.20 COc1ccccc1CBr TS46746 [1,1,0,0,0,0|1,0,1]=4 1953 B10R1.20 COc1ccccc1CCl TS01104 [1,1,0,0,0,0|1,0,1]=4 1954 B10R1.20 COc1ccccc1CN TS01103 [1,1,0,0,0,0|1,0,1]=4 1955 B10R1.20 COc1ccccc1CO TS06248 [1,1,0,0,0,0|0,0,2]=4 1956 B10R1.20 COc1ccccc1NN TS46513 [1,1,0,0,0,0|2,0,0]=4 1957 B10R1.20 COc1ccccc1OC TS07876 [1,1,0,0,0,0|2,0,0]=4 1958 B10R1.20 COc1ccccc1SC TS55437 [1,1,0,0,0,0|2,0,0]=4 1959 B10R1.20 COc1ccccc1[Mg]Br TS44048 [1,1,0,0,0,0|2,0,0]=4 1960 B10R1.20 COc1cccnc1C=O TS06166 [1,1,0,0,0,0|1,0,0]=3 1961 B10R1.20 COc1ccncc1C=O TS09135 [1,1,0,0,0,0|1,0,0]=3 1962 B10R1.20 COc1cnccc1C=O TS06158 [1,1,0,0,0,0|1,0,0]=3 1963 B10R1.20 CSc1ccccc1C#N TS40767 [1,1,0,0,0,0|1,0,1]=4 1964 B10R1.20 CSc1ccccc1CN TS10344 [1,1,0,0,0,0|1,0,1]=4 1965 B10R1.20 CSc1ccccc1CO TS41405 [1,1,0,0,0,0|0,0,2]=4 1966 B10R1.20 c1cc(c(nc1)C#N)C=O TS39304 [1,1,0,0,0,0|1,0,1]=4 1967 B10R1.20 c1cc(c(nc1)CN)C=O TS06068 [1,1,0,0,0,0|1,0,0]=3 1968 B10R1.20 c1ccc(c(c1)C=O)C#N TS55300 [1,1,0,0,0,0|0,0,1]=3 1969 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [1,1,0,0,0,0|0,0,1]=3 1970 B10R1.20 c1ccc(c(c1)CBr)C#N TS59504 [1,1,0,0,0,0|1,0,1]=4 1971 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [1,1,0,0,0,0|0,0,0]=2 1972 B10R1.20 c1ccc(c(c1)CBr)CBr TS46778 [1,1,0,0,0,0|1,0,1]=4 1973 B10R1.20 c1ccc(c(c1)CCl)C#N TS41067 [1,1,0,0,0,0|1,0,1]=4 1974 B10R1.20 c1ccc(c(c1)CCl)CCl TS13625 [1,1,0,0,0,0|1,0,1]=4 1975 B10R1.20 c1ccc(c(c1)CN)C#N TS55302 [1,1,0,0,0,0|1,0,1]=4 1976 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [1,1,0,0,0,0|0,0,2]=4 1977 B10R1.20 c1ccc(c(c1)CS)CS TS12901 [1,1,0,0,0,0|0,1,1]=4 1978 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [1,1,0,0,0,0|2,0,0]=4 1979 B10R1.30 C=Cc1cc(ccc1F)F TS06428 [1,1,0,0,0,0|2,0,0]=4 1980 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,1,0,0,0,0|1,0,1]=4 1981 B10R1.30 Cc1cc(c(nc1)Cl)C=O TS41555 [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [1,1,0,0,0,0|1,0,1]=4 1983 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [1,1,0,0,0,0|1,0,1]=4 1984 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [1,1,0,0,0,0|1,0,0]=3 1985 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [1,1,0,0,0,0|0,0,0]=2 1986 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [1,1,0,0,0,0|0,0,0]=2 1987 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [1,1,0,0,0,0|1,0,0]=3 1988 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,1,0,0,0,0|1,0,0]=3 1989 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,1,0,0,0,0|1,0,1]=4 1990 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,1,0,0,0,0|1,0,1]=4 1991 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,1,0,0,0,0|1,0,1]=4 1992 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,1,0,0,0,0|0,0,2]=4 1993 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [1,1,0,0,0,0|2,0,0]=4 1994 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,1,0,0,0,0|2,0,0]=4 1995 B10R1.30 Cc1ccc(c(n1)C=O)F TS37267 [1,1,0,0,0,0|2,0,0]=4 1996 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [1,1,0,0,0,0|1,0,1]=4 1997 B10R1.30 Cc1ccc(cc1C#N)Cl TS71505 [1,1,0,0,0,0|1,0,1]=4 1998 B10R1.30 Cc1ccc(cc1C#N)F TS65162 [1,1,0,0,0,0|1,0,1]=4 1999 B10R1.30 Cc1ccc(cc1C#N)N TS36681 [1,1,0,0,0,0|1,0,1]=4 2000 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [1,1,0,0,0,0|0,0,0]=2 2001 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [1,1,0,0,0,0|0,0,0]=2 2002 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [1,1,0,0,0,0|1,0,1]=4 2003 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [1,1,0,0,0,0|1,0,1]=4 2004 B10R1.30 Cc1ccc(cc1CN)F TS37290 [1,1,0,0,0,0|1,0,1]=4 2005 B10R1.30 Cc1ccc(cc1CO)F TS37367 [1,1,0,0,0,0|0,0,2]=4 2006 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [1,1,0,0,0,0|2,0,0]=4 2007 B10R1.30 Cc1ccc(cc1NN)F TS03301 [1,1,0,0,0,0|2,0,0]=4 2008 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,1,0,0,0,0|2,0,0]=4 2009 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,1,0,0,0,0|2,0,0]=4 2010 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,1,0,0,0,0|2,0,0]=4 2011 B10R1.30 c1c(c(cnc1Cl)Br)C=O TS86358 [1,1,0,0,0,0|2,0,0]=4 2012 B10R1.30 c1c(c(cnc1Cl)Cl)C=O TS00660 [1,1,0,0,0,0|2,0,0]=4 2013 B10R1.30 c1c(c(cnc1Cl)F)C=O TS07718 [1,1,0,0,0,0|2,0,0]=4 2014 B10R1.30 c1c(c(cnc1O)F)C=O TS32991 [1,1,0,0,0,0|2,0,0]=4 2015 B10R1.30 c1c(cnc(c1C=O)Br)Br TS68902 [1,1,0,0,0,0|2,0,0]=4 2016 B10R1.30 c1c(cnc(c1C=O)Cl)Br TS59716 [1,1,0,0,0,0|2,0,0]=4 2017 B10R1.30 c1c(cnc(c1C=O)Cl)F TS59954 [1,1,0,0,0,0|2,0,0]=4 2018 B10R1.30 c1c(cnc(c1C=O)F)Br TS90413 [1,1,0,0,0,0|2,0,0]=4 2019 B10R1.30 c1c(cnc(c1C=O)F)Cl TS85206 [1,1,0,0,0,0|2,0,0]=4 2020 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [1,1,0,0,0,0|1,0,0]=3 2021 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [1,1,0,0,0,0|1,0,0]=3 2022 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [1,1,0,0,0,0|1,0,0]=3 2023 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [1,1,0,0,0,0|1,0,0]=3 2024 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [1,1,0,0,0,0|1,0,0]=3 2025 B10R1.30 c1cc(c(cc1Cl)C=O)Br TS09831 [1,1,0,0,0,0|1,0,0]=3 2026 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [1,1,0,0,0,0|1,0,0]=3 2027 B10R1.30 c1cc(c(cc1Cl)C=O)F TS09839 [1,1,0,0,0,0|1,0,0]=3 2028 B10R1.30 c1cc(c(cc1Cl)C=O)N TS00774 [1,1,0,0,0,0|1,0,0]=3 2029 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [1,1,0,0,0,0|1,0,0]=3 2030 B10R1.30 c1cc(c(cc1F)C=O)Br TS08340 [1,1,0,0,0,0|1,0,0]=3 2031 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [1,1,0,0,0,0|1,0,0]=3 2032 B10R1.30 c1cc(c(cc1F)C=O)F TS00673 [1,1,0,0,0,0|1,0,0]=3 2033 B10R1.30 c1cc(c(cc1F)C=O)I TS01072 [1,1,0,0,0,0|1,0,0]=3 2034 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [1,1,0,0,0,0|1,0,0]=3 2035 B10R1.30 c1cc(c(cc1I)C=O)F TS62782 [1,1,0,0,0,0|1,0,0]=3 2036 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [1,1,0,0,0,0|1,0,0]=3 2037 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [1,1,0,0,0,0|1,0,0]=3 2038 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [1,1,0,0,0,0|1,0,0]=3 2039 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [1,1,0,0,0,0|1,0,0]=3 2040 B10R1.30 c1cc(nc(c1F)C=O)Br TS88872 [1,1,0,0,0,0|2,0,0]=4 2041 B10R1.30 c1cc(nc(c1F)C=O)Cl TS39360 [1,1,0,0,0,0|2,0,0]=4 2042 B10R1.61 B(c1ccccc1C)(O)O TS02443 [1,1,0,0,0,0|1,0,1]=4 2043 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|2,0,0]=4 2044 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,1,0,0,0,0|2,0,0]=4 2045 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [1,1,0,0,0,0|2,0,0]=4 2046 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [1,1,0,0,0,0|2,0,0]=4 2047 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,1,0,0,0,0|2,0,0]=4 2048 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|1,0,0]=3 2049 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|1,0,0]=3 2050 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|1,0,0]=3 2051 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|1,0,0]=3 2052 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|1,0,0]=3 2053 B10R1.61 CC(=O)c1cccnc1Br TS18940 [1,1,0,0,0,0|2,0,0]=4 2054 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [1,1,0,0,0,0|2,0,0]=4 2055 B10R1.61 CC(=O)c1cccnc1F TS02616 [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.61 CC(=O)c1cccnc1N TS08276 [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.61 CC(=O)c1ccncc1Br TS18937 [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.61 CC(=O)c1ccncc1Br TS76034 [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.61 CC(=O)c1ccncc1F TS08156 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.61 CC(=O)c1ccncc1N TS06058 [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.61 CC(=O)c1cnccc1F TS37273 [1,1,0,0,0,0|2,0,0]=4 2062 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [1,1,0,0,0,0|0,0,2]=4 2063 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|2,0,0]=4 2064 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [1,1,0,0,0,0|1,0,0]=3 2065 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [1,1,0,0,0,0|1,0,0]=3 2066 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [1,1,0,0,0,0|2,0,0]=4 2071 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|1,0,0]=3 2072 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,1,0,0,0,0|1,0,0]=3 2073 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|0,0,0]=2 2074 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [1,1,0,0,0,0|0,0,0]=2 2075 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,1,0,0,0,0|0,0,0]=2 2076 B10R1.61 Cc1ccccc1C(=O)O TS01622 [1,1,0,0,0,0|0,0,0]=2 2077 B10R1.61 Cc1ccccc1C(=S)N TS41052 [1,1,0,0,0,0|0,1,0]=3 2078 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,1,0,0,0,0|1,0,1]=4 2079 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,1,0,0,0,0|0,0,2]=4 2080 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,1,0,0,0,0|1,0,1]=4 2082 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,1,0,0,0,0|1,0,1]=4 2083 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [1,1,0,0,0,0|1,0,0]=3 2084 B10R1.61 Cc1cccnc1C(=O)O TS37085 [1,1,0,0,0,0|1,0,0]=3 2085 B10R1.61 Cc1cccnc1C(=O)O TS60354 [1,1,0,0,0,0|1,0,0]=3 2086 B10R1.61 Cc1cccnc1[N+](=O)[O-] TS70660 [1,1,0,0,0,0|2,0,0]=4 2087 B10R1.61 Cc1ccncc1C(=O)O TS39766 [1,1,0,0,0,0|1,0,0]=3 2088 B10R1.61 Cc1ccncc1C(=O)O TS71235 [1,1,0,0,0,0|1,0,0]=3 2089 B10R1.61 Cc1ccncc1[N+](=O)[O-] TS71233 [1,1,0,0,0,0|2,0,0]=4 2090 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [1,1,0,0,0,0|2,0,0]=4 2091 B10R1.61 Cc1cnccc1C(=O)N TS02849 [1,1,0,0,0,0|1,0,0]=3 2092 B10R1.61 Cc1cnccc1C(=O)O TS06159 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.61 Cc1cnccc1C(=O)O TS86033 [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.61 Cc1cnccc1[N+](=O)[O-] TS86937 [1,1,0,0,0,0|2,0,0]=4 2095 B10R1.61 Cc1cnncc1C(=O)O TS87483 [1,1,0,0,0,0|2,0,0]=4 2096 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [1,1,0,0,0,0|2,0,0]=4 2099 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [1,1,0,0,0,0|2,0,0]=4 2100 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [1,1,0,0,0,0|2,0,0]=4 2101 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [1,1,0,0,0,0|2,0,0]=4 2102 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [1,1,0,0,0,0|2,0,0]=4 2103 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [1,1,0,0,0,0|2,0,0]=4 2104 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,1,0,0,0,0|2,0,0]=4 2105 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [1,1,0,0,0,0|2,0,0]=4 2106 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [1,1,0,0,0,0|2,0,0]=4 2107 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [1,1,0,0,0,0|2,0,0]=4 2108 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [1,1,0,0,0,0|2,0,0]=4 2109 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [1,1,0,0,0,0|2,0,0]=4 2112 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [1,1,0,0,0,0|2,0,0]=4 2115 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [1,1,0,0,0,0|1,0,0]=3 2119 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [1,1,0,0,0,0|1,0,0]=3 2120 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [1,1,0,0,0,0|1,0,0]=3 2121 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [1,1,0,0,0,0|1,0,0]=3 2122 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,1,0,0,0,0|1,0,0]=3 2123 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,1,0,0,0,0|1,0,0]=3 2124 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,1,0,0,0,0|1,0,0]=3 2125 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,1,0,0,0,0|1,0,0]=3 2126 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,1,0,0,0,0|1,0,0]=3 2127 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,1,0,0,0,0|1,0,0]=3 2128 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [1,1,0,0,0,0|1,0,0]=3 2129 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,1,0,0,0,0|1,0,0]=3 2130 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [1,1,0,0,0,0|1,0,0]=3 2131 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [1,1,0,0,0,0|1,0,0]=3 2132 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,1,0,0,0,0|1,0,0]=3 2133 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,1,0,0,0,0|1,0,0]=3 2134 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,1,0,0,0,0|1,0,0]=3 2135 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [1,1,0,0,0,0|1,0,0]=3 2136 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [1,1,0,0,0,0|1,0,0]=3 2137 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [1,1,0,0,0,0|1,0,0]=3 2138 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [1,1,0,0,0,0|1,0,0]=3 2139 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,1,0,0,0,0|1,0,0]=3 2140 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,1,0,0,0,0|1,0,0]=3 2141 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,1,0,0,0,0|1,0,0]=3 2142 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,1,0,0,0,0|1,0,0]=3 2143 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,1,0,0,0,0|1,0,0]=3 2144 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,1,0,0,0,0|1,0,0]=3 2145 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,1,0,0,0,0|1,0,0]=3 2146 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,1,0,0,0,0|1,0,0]=3 2147 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,1,0,0,0,0|1,0,0]=3 2148 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,1,0,0,0,0|1,0,0]=3 2149 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [1,1,0,0,0,0|1,0,0]=3 2150 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [1,1,0,0,0,0|1,1,0]=4 2151 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [1,1,0,0,0,0|1,1,0]=4 2152 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [1,1,0,0,0,0|1,1,0]=4 2153 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,1,0,0,0,0|1,1,0]=4 2154 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,1,0,0,0,0|1,1,0]=4 2155 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [1,1,0,0,0,0|2,0,0]=4 2157 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [1,1,0,0,0,0|2,0,0]=4 2158 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [1,1,0,0,0,0|2,0,0]=4 2159 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [1,1,0,0,0,0|2,0,0]=4 2160 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [1,1,0,0,0,0|2,0,0]=4 2162 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [1,1,0,0,0,0|2,0,0]=4 2163 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [1,1,0,0,0,0|2,0,0]=4 2164 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [1,1,0,0,0,0|2,0,0]=4 2165 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [1,1,0,0,0,0|2,0,0]=4 2166 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [1,1,0,0,0,0|2,0,0]=4 2167 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [1,1,0,0,0,0|2,0,0]=4 2168 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [1,1,0,0,0,0|2,0,0]=4 2169 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [1,1,0,0,0,0|2,0,0]=4 2170 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [1,1,0,0,0,0|2,0,0]=4 2171 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,1,0,0,0,0|2,0,0]=4 2172 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,1,0,0,0,0|2,0,0]=4 2173 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,1,0,0,0,0|2,0,0]=4 2174 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [1,1,0,0,0,0|2,0,0]=4 2175 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [1,1,0,0,0,0|2,0,0]=4 2176 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [1,1,0,0,0,0|2,0,0]=4 2177 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [1,1,0,0,0,0|2,0,0]=4 2178 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [1,1,0,0,0,0|2,0,0]=4 2180 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.245 C=Cc1c(cccc1Cl)Cl TS13296 [1,1,0,0,0,0|2,0,0]=4 2182 B10R1.245 CCc1c(cccc1C)C TS36867 [1,1,0,0,0,0|1,0,1]=4 2183 B10R1.245 C[n+]1cccc(c1C=O)O TS50820 [1,1,0,0,0,0|1,0,0]=3 2184 B10R1.245 Cc1cccc(c1C#N)C TS05674 [1,1,0,0,0,0|1,0,1]=4 2185 B10R1.245 Cc1cccc(c1C#N)F TS55368 [1,1,0,0,0,0|1,0,1]=4 2186 B10R1.245 Cc1cccc(c1C#N)N TS39260 [1,1,0,0,0,0|1,0,1]=4 2187 B10R1.245 Cc1cccc(c1C#N)O TS16697 [1,1,0,0,0,0|1,0,1]=4 2188 B10R1.245 Cc1cccc(c1C=C)C TS36710 [1,1,0,0,0,0|1,0,0]=3 2189 B10R1.245 Cc1cccc(c1C=O)C TS47323 [1,1,0,0,0,0|0,0,0]=2 2190 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [1,1,0,0,0,0|0,0,0]=2 2191 B10R1.245 Cc1cccc(c1CBr)C TS47325 [1,1,0,0,0,0|1,0,1]=4 2192 B10R1.245 Cc1cccc(c1CCl)C TS47326 [1,1,0,0,0,0|1,0,1]=4 2193 B10R1.245 Cc1cccc(c1CN)C TS36957 [1,1,0,0,0,0|1,0,1]=4 2194 B10R1.245 Cc1cccc(c1CO)C TS06075 [1,1,0,0,0,0|0,0,2]=4 2195 B10R1.245 Cc1cccc(c1NN)C TS13272 [1,1,0,0,0,0|2,0,0]=4 2196 B10R1.245 Cc1cccc(c1OC)C TS09255 [1,1,0,0,0,0|2,0,0]=4 2197 B10R1.245 Cc1cccc(c1SC)C TS41197 [1,1,0,0,0,0|2,0,0]=4 2198 B10R1.245 Cc1cccc(c1[N+]#[C-])C TS05670 [1,1,0,0,0,0|2,0,0]=4 2199 B10R1.245 Cc1ccnc(c1C=O)Cl TS10613 [1,1,0,0,0,0|1,0,0]=3 2200 B10R1.245 Cc1ccnc(c1C=O)F TS37275 [1,1,0,0,0,0|1,0,0]=3 2201 B10R1.245 Cc1cncc(c1C=O)Br TS18934 [1,1,0,0,0,0|1,0,0]=3 2202 B10R1.245 Cc1cncc(c1C=O)C TS36920 [1,1,0,0,0,0|1,0,0]=3 2203 B10R1.245 c1c(c(c(cn1)Br)C=O)Br TS68901 [1,1,0,0,0,0|2,0,0]=4 2204 B10R1.245 c1c(c(c(cn1)Cl)C=O)Cl TS65795 [1,1,0,0,0,0|2,0,0]=4 2205 B10R1.245 c1cc(c(c(c1)Br)C=O)F TS55144 [1,1,0,0,0,0|1,0,0]=3 2206 B10R1.245 c1cc(c(c(c1)Br)C=O)N TS18935 [1,1,0,0,0,0|1,0,0]=3 2207 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [1,1,0,0,0,0|1,0,0]=3 2208 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl TS47296 [1,1,0,0,0,0|1,0,0]=3 2209 B10R1.245 c1cc(c(c(c1)Cl)C=O)F TS55255 [1,1,0,0,0,0|1,0,0]=3 2210 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [1,1,0,0,0,0|1,0,0]=3 2211 B10R1.245 c1cc(c(c(c1)F)C=O)F TS34649 [1,1,0,0,0,0|1,0,0]=3 2212 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [1,1,0,0,0,0|1,0,0]=3 2213 B10R1.245 c1cc(c(c(c1)I)C=O)F TS01227 [1,1,0,0,0,0|1,0,0]=3 2214 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [1,1,0,0,0,0|1,0,0]=3 2215 B10R1.245 c1cnc(c(c1Cl)C=O)Cl TS47214 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.245 c1cnc(c(c1Cl)C=O)N TS88701 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.245 c1cnc(c(c1I)C=O)Cl TS85140 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.245 c1cnc(c(c1I)C=O)F TS55331 [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.245 c1cnc(c(c1N)C=O)Cl TS32794 [1,1,0,0,0,0|2,0,0]=4 2220 B10R1.22 C1=C(C(=O)C(=CC1=O)Br)Br TS73447 [1,1,0,0,0,0|2,0,0]=4 2221 B10R1.22 C1=C(C(=O)C(=CC1=O)Cl)Cl TS13951 [1,1,0,0,0,0|2,0,0]=4 2222 B10R1.22 C1=C(C(=O)C(=CC1=O)I)I TS79502 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.22 CC1=CC(=O)C=C(C1=O)C TS00701 [1,1,0,0,0,0|1,0,0]=3 2224 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS24301 [1,1,0,0,0,0|2,0,0]=4 2225 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS58008 [1,1,0,0,0,0|2,0,0]=4 2226 B10R1.22 Cc1cc(c(c(c1)Br)F)C TS19505 [1,1,0,0,0,0|1,0,0]=3 2227 B10R1.22 Cc1cc(c(c(c1)Br)I)Br TS67028 [1,1,0,0,0,0|2,0,0]=4 2228 B10R1.22 Cc1cc(c(c(c1)Br)N)Br TS00691 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.22 Cc1cc(c(c(c1)Br)N)C TS55093 [1,1,0,0,0,0|1,0,0]=3 2230 B10R1.22 Cc1cc(c(c(c1)Br)O)Br TS73451 [1,1,0,0,0,0|1,0,1]=4 2231 B10R1.22 Cc1cc(c(c(c1)Br)O)C TS38048 [1,1,0,0,0,0|0,0,1]=3 2232 B10R1.22 Cc1cc(c(c(c1)C)Br)C TS39648 [1,1,0,0,0,0|1,0,0]=3 2233 B10R1.22 Cc1cc(c(c(c1)C)C)C TS36856 [1,1,0,0,0,0|0,0,1]=3 2234 B10R1.22 Cc1cc(c(c(c1)C)Cl)C TS41468 [1,1,0,0,0,0|1,0,0]=3 2235 B10R1.22 Cc1cc(c(c(c1)C)F)C TS06285 [1,1,0,0,0,0|1,0,0]=3 2236 B10R1.22 Cc1cc(c(c(c1)C)I)C TS27404 [1,1,0,0,0,0|1,0,0]=3 2237 B10R1.22 Cc1cc(c(c(c1)C)N)C TS36959 [1,1,0,0,0,0|1,0,0]=3 2238 B10R1.22 Cc1cc(c(c(c1)C)S)C TS41193 [1,1,0,0,0,0|0,1,0]=3 2239 B10R1.22 Cc1cc(c(c(c1)Cl)N)C TS41560 [1,1,0,0,0,0|1,0,0]=3 2240 B10R1.22 Cc1cc(c(c(c1)Cl)O)Cl TS13960 [1,1,0,0,0,0|1,0,1]=4 2241 B10R1.22 Cc1cc(c(c(c1)F)F)F TS65443 [1,1,0,0,0,0|2,0,0]=4 2242 B10R1.22 Cc1cc(c(c(c1)I)I)C TS66275 [1,1,0,0,0,0|1,0,0]=3 2243 B10R1.22 Cc1cc(c(c(c1)I)N)C TS27557 [1,1,0,0,0,0|1,0,0]=3 2244 B10R1.22 Cc1cc(c(c(c1)I)O)C TS62515 [1,1,0,0,0,0|0,0,1]=3 2245 B10R1.22 Cc1cc(c(c(c1)N)N)C TS37045 [1,1,0,0,0,0|1,0,0]=3 2246 B10R1.22 Cc1cc(c(c(c1)N)O)C TS37122 [1,1,0,0,0,0|0,0,1]=3 2247 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [1,1,0,0,0,0|0,0,1]=3 2248 B10R1.22 Cc1cc(c(c(c1)O)C)O TS06263 [1,1,0,0,0,0|1,0,1]=4 2249 B10R1.22 Cc1cc(c(c(c1)O)Cl)C TS41728 [1,1,0,0,0,0|1,0,0]=3 2250 B10R1.22 Cc1cc(c(c(c1)O)O)O TS06435 [1,1,0,0,0,0|1,0,1]=4 2251 B10R1.22 Cc1cc(c(c(n1)C)Br)Br TS68906 [1,1,0,0,0,0|2,0,0]=4 2252 B10R1.22 Cc1cc(cc(c1Br)C)O TS16766 [1,1,0,0,0,0|2,0,0]=4 2253 B10R1.22 Cc1cc(cc(c1C)C)N TS36941 [1,1,0,0,0,0|1,0,1]=4 2254 B10R1.22 Cc1cc(cc(c1C)C)O TS06086 [1,1,0,0,0,0|1,0,1]=4 2255 B10R1.22 Cc1cc(cc(c1C)O)O TS06246 [1,1,0,0,0,0|1,0,1]=4 2256 B10R1.22 Cc1cc(cc(c1Cl)C)Br TS49665 [1,1,0,0,0,0|2,0,0]=4 2257 B10R1.22 Cc1cc(cc(c1Cl)C)F TS09280 [1,1,0,0,0,0|2,0,0]=4 2258 B10R1.22 Cc1cc(cc(c1Cl)C)O TS71031 [1,1,0,0,0,0|2,0,0]=4 2259 B10R1.22 Cc1cc(cc(c1F)C)Br TS71422 [1,1,0,0,0,0|2,0,0]=4 2260 B10R1.22 Cc1cc(cc(c1F)C)N TS37291 [1,1,0,0,0,0|2,0,0]=4 2261 B10R1.22 Cc1cc(cc(c1F)F)F TS65310 [1,1,0,0,0,0|2,0,0]=4 2262 B10R1.22 Cc1cc(cc(c1I)C)Br TS09785 [1,1,0,0,0,0|2,0,0]=4 2263 B10R1.22 Cc1cc(cc(c1I)C)I TS66271 [1,1,0,0,0,0|2,0,0]=4 2264 B10R1.22 Cc1cc(cc(c1I)C)N TS71190 [1,1,0,0,0,0|2,0,0]=4 2265 B10R1.22 Cc1cc(cc(c1I)C)O TS16727 [1,1,0,0,0,0|2,0,0]=4 2266 B10R1.22 Cc1cc(cc(c1I)Cl)Cl TS35012 [1,1,0,0,0,0|2,0,0]=4 2267 B10R1.22 Cc1cc(cc(c1I)O)Cl TS73798 [1,1,0,0,0,0|2,0,0]=4 2268 B10R1.22 Cc1cc(cc(c1N)Br)Br TS09264 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.22 Cc1cc(cc(c1N)Br)F TS55103 [1,1,0,0,0,0|2,0,0]=4 2270 B10R1.22 Cc1cc(cc(c1N)C)Br TS37845 [1,1,0,0,0,0|2,0,0]=4 2271 B10R1.22 Cc1cc(cc(c1N)C)Cl TS51404 [1,1,0,0,0,0|2,0,0]=4 2272 B10R1.22 Cc1cc(cc(c1N)C)Cl TS60056 [1,1,0,0,0,0|2,0,0]=4 2273 B10R1.22 Cc1cc(cc(c1N)C)F TS37289 [1,1,0,0,0,0|2,0,0]=4 2274 B10R1.22 Cc1cc(cc(c1N)C)I TS27561 [1,1,0,0,0,0|2,0,0]=4 2275 B10R1.22 Cc1cc(cc(c1N)C)O TS06189 [1,1,0,0,0,0|2,0,0]=4 2276 B10R1.22 Cc1cc(cc(c1N)Cl)Cl TS46042 [1,1,0,0,0,0|2,0,0]=4 2277 B10R1.22 Cc1cc(cc(c1N)N)Br TS08702 [1,1,0,0,0,0|2,0,0]=4 2278 B10R1.22 Cc1cc(cc(c1O)Br)Br TS73452 [1,1,0,0,0,0|1,0,1]=4 2279 B10R1.22 Cc1cc(cc(c1O)C)Br TS38039 [1,1,0,0,0,0|1,0,1]=4 2280 B10R1.22 Cc1cc(cc(c1O)C)Cl TS41719 [1,1,0,0,0,0|1,0,1]=4 2281 B10R1.22 Cc1cc(cc(c1O)C)F TS37368 [1,1,0,0,0,0|1,0,1]=4 2282 B10R1.22 Cc1cc(cc(c1O)C)I TS62511 [1,1,0,0,0,0|1,0,1]=4 2283 B10R1.22 Cc1cc(cc(c1O)C)O TS32897 [1,1,0,0,0,0|1,0,1]=4 2284 B10R1.22 Cc1cc(cc(c1O)Cl)Br TS50007 [1,1,0,0,0,0|1,0,1]=4 2285 B10R1.22 Cc1cc(cc(c1O)Cl)Cl TS13954 [1,1,0,0,0,0|1,0,1]=4 2286 B10R1.22 Cc1cc(nc(c1N)Br)C TS08967 [1,1,0,0,0,0|2,0,0]=4 2287 B10R1.22 Cn1cc(cc(c1=O)N)Br TS85682 [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.118 C1=C(C(=O)C=C(C1=O)Br)Br TS73446 [1,1,0,0,0,0|2,0,0]=4 2289 B10R1.118 C1=C(C(=O)C=C(C1=O)Cl)Cl TS13950 [1,1,0,0,0,0|2,0,0]=4 2290 B10R1.118 CC1=CC(=O)C(=CC1=O)Br TS19139 [1,1,0,0,0,0|1,0,0]=3 2291 B10R1.118 CC1=CC(=O)C(=CC1=O)C TS36987 [1,1,0,0,0,0|1,0,0]=3 2292 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl TS10786 [1,1,0,0,0,0|1,0,0]=3 2293 B10R1.118 Cc1c(cc(c(n1)C)Br)Br TS47318 [1,1,0,0,0,0|2,0,0]=4 2294 B10R1.118 Cc1cc(c(cc1Br)Br)Br TS63566 [1,1,0,0,0,0|2,0,0]=4 2295 B10R1.118 Cc1cc(c(cc1Br)C)Br TS29981 [1,1,0,0,0,0|1,0,1]=4 2296 B10R1.118 Cc1cc(c(cc1Br)C)Cl TS49664 [1,1,0,0,0,0|1,0,1]=4 2297 B10R1.118 Cc1cc(c(cc1Br)C)N TS37846 [1,1,0,0,0,0|1,0,1]=4 2298 B10R1.118 Cc1cc(c(cc1Br)C)O TS38038 [1,1,0,0,0,0|1,0,1]=4 2299 B10R1.118 Cc1cc(c(cc1Br)F)Br TS30469 [1,1,0,0,0,0|2,0,0]=4 2300 B10R1.118 Cc1cc(c(cc1Br)F)F TS65109 [1,1,0,0,0,0|2,0,0]=4 2301 B10R1.118 Cc1cc(c(cc1Br)F)N TS60047 [1,1,0,0,0,0|2,0,0]=4 2302 B10R1.118 Cc1cc(c(cc1C)Br)Br TS02895 [1,1,0,0,0,0|1,0,1]=4 2303 B10R1.118 Cc1cc(c(cc1C)C)C TS36865 [1,1,0,0,0,0|0,0,1]=3 2304 B10R1.118 Cc1cc(c(cc1C)Cl)O TS41714 [1,1,0,0,0,0|1,0,1]=4 2305 B10R1.118 Cc1cc(c(cc1C)I)I TS66272 [1,1,0,0,0,0|1,0,1]=4 2306 B10R1.118 Cc1cc(c(cc1C)I)N TS27560 [1,1,0,0,0,0|1,0,1]=4 2307 B10R1.118 Cc1cc(c(cc1C)I)O TS62516 [1,1,0,0,0,0|1,0,1]=4 2308 B10R1.118 Cc1cc(c(cc1C)N)C TS06007 [1,1,0,0,0,0|0,0,1]=3 2309 B10R1.118 Cc1cc(c(cc1C)N)N TS65268 [1,1,0,0,0,0|1,0,1]=4 2310 B10R1.118 Cc1cc(c(cc1C)O)C TS06097 [1,1,0,0,0,0|0,0,1]=3 2311 B10R1.118 Cc1cc(c(cc1C)S)C TS41198 [1,1,0,0,0,0|0,0,1]=3 2312 B10R1.118 Cc1cc(c(cc1Cl)C)Cl TS02133 [1,1,0,0,0,0|1,0,1]=4 2313 B10R1.118 Cc1cc(c(cc1Cl)C)N TS41557 [1,1,0,0,0,0|1,0,1]=4 2314 B10R1.118 Cc1cc(c(cc1Cl)C)S TS13279 [1,1,0,0,0,0|1,0,1]=4 2315 B10R1.118 Cc1cc(c(cc1Cl)Cl)Cl TS52074 [1,1,0,0,0,0|2,0,0]=4 2316 B10R1.118 Cc1cc(c(cc1Cl)N)Br TS23184 [1,1,0,0,0,0|2,0,0]=4 2317 B10R1.118 Cc1cc(c(cc1Cl)N)N TS39217 [1,1,0,0,0,0|2,0,0]=4 2318 B10R1.118 Cc1cc(c(cc1Cl)N)O TS10910 [1,1,0,0,0,0|2,0,0]=4 2319 B10R1.118 Cc1cc(c(cc1F)Br)Br TS30470 [1,1,0,0,0,0|2,0,0]=4 2320 B10R1.118 Cc1cc(c(cc1F)Br)Cl TS08997 [1,1,0,0,0,0|2,0,0]=4 2321 B10R1.118 Cc1cc(c(cc1F)Br)I TS00006 [1,1,0,0,0,0|2,0,0]=4 2322 B10R1.118 Cc1cc(c(cc1F)Cl)Br TS50365 [1,1,0,0,0,0|2,0,0]=4 2323 B10R1.118 Cc1cc(c(cc1F)Cl)I TS30873 [1,1,0,0,0,0|2,0,0]=4 2324 B10R1.118 Cc1cc(c(cc1F)Cl)N TS11184 [1,1,0,0,0,0|2,0,0]=4 2325 B10R1.118 Cc1cc(c(cc1F)I)Br TS76744 [1,1,0,0,0,0|2,0,0]=4 2326 B10R1.118 Cc1cc(c(cc1F)N)Br TS65378 [1,1,0,0,0,0|2,0,0]=4 2327 B10R1.118 Cc1cc(c(cc1I)C)I TS66273 [1,1,0,0,0,0|1,0,1]=4 2328 B10R1.118 Cc1cc(c(cc1I)C)N TS27556 [1,1,0,0,0,0|1,0,1]=4 2329 B10R1.118 Cc1cc(c(cc1I)C)O TS62514 [1,1,0,0,0,0|1,0,1]=4 2330 B10R1.118 Cc1cc(c(cc1N)Br)F TS07818 [1,1,0,0,0,0|2,0,0]=4 2331 B10R1.118 Cc1cc(c(cc1N)C)N TS37047 [1,1,0,0,0,0|1,0,1]=4 2332 B10R1.118 Cc1cc(c(cc1N)Cl)N TS41731 [1,1,0,0,0,0|2,0,0]=4 2333 B10R1.118 Cc1cc(c(cc1N)F)Br TS16771 [1,1,0,0,0,0|2,0,0]=4 2334 B10R1.118 Cc1cc(c(cc1N)N)C TS37028 [1,1,0,0,0,0|1,0,0]=3 2335 B10R1.118 Cc1cc(c(cc1O)C)N TS70865 [1,1,0,0,0,0|1,0,1]=4 2336 B10R1.118 Cc1cc(c(cc1O)F)F TS39455 [1,1,0,0,0,0|1,0,1]=4 2337 B10R1.118 Cc1cc(c(cc1O)N)Cl TS10914 [1,1,0,0,0,0|1,0,1]=4 2338 B10R1.118 Cc1cc(c(cc1O)N)F TS39521 [1,1,0,0,0,0|1,0,1]=4 2339 B10R1.118 Cc1cn(c(=O)[nH]c1=O)C TS06440 [1,1,0,0,0,0|2,0,0]=4 2340 B10R1.119 Cc1c(c(=O)ccn1C)O TS06373 [1,1,0,0,0,0|2,0,0]=4 2341 B10R1.119 Cc1c(c(ccc1F)Br)C TS19504 [1,1,0,0,0,0|2,0,0]=4 2342 B10R1.119 Cc1c(c(ccc1F)F)C TS46806 [1,1,0,0,0,0|2,0,0]=4 2343 B10R1.119 Cc1c(c(ccc1N)F)C TS37296 [1,1,0,0,0,0|2,0,0]=4 2344 B10R1.119 Cc1c(c(ccc1N)O)C TS37123 [1,1,0,0,0,0|1,0,1]=4 2345 B10R1.119 Cc1c(c(ccc1O)Br)C TS38044 [1,1,0,0,0,0|1,0,1]=4 2346 B10R1.119 Cc1c(c(ccc1O)F)C TS06458 [1,1,0,0,0,0|1,0,1]=4 2347 B10R1.119 Cc1c(c(ccc1O)I)C TS62513 [1,1,0,0,0,0|1,0,1]=4 2348 B10R1.119 Cc1c(c(ccc1O)O)C TS47167 [1,1,0,0,0,0|1,0,1]=4 2349 B10R1.119 Cc1c(ccc(c1Cl)Br)N TS23185 [1,1,0,0,0,0|2,0,0]=4 2350 B10R1.119 Cc1c(ccc(c1Cl)Cl)Cl TS52071 [1,1,0,0,0,0|2,0,0]=4 2351 B10R1.119 Cc1c(ccc(c1Cl)N)Cl TS09224 [1,1,0,0,0,0|2,0,0]=4 2352 B10R1.119 Cc1c(ccc(c1F)Br)F TS39121 [1,1,0,0,0,0|2,0,0]=4 2353 B10R1.119 Cc1c(ccc(c1F)F)Br TS39120 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.119 Cc1c(ccc(c1N)N)F TS16833 [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.119 Cc1c(n(=O)ccc1Cl)C TS65124 [1,1,0,0,0,0|2,0,0]=4 2356 B10R1.119 Cc1c[nH]c(=O)n(c1=O)C TS70686 [1,1,0,0,0,0|2,0,0]=4 2357 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [1,1,0,0,0,0|0,0,1]=3 2358 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [1,1,0,0,0,0|0,0,1]=3 2359 B10R1.119 Cc1ccc(c(c1C)N)N TS37042 [1,1,0,0,0,0|1,0,1]=4 2360 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [1,1,0,0,0,0|0,0,1]=3 2361 B10R1.119 Cc1ccc(c(c1Cl)Br)Cl TS26441 [1,1,0,0,0,0|2,0,0]=4 2362 B10R1.119 Cc1ccc(c(c1Cl)Cl)Cl TS52069 [1,1,0,0,0,0|2,0,0]=4 2363 B10R1.119 Cc1ccc(c(c1Cl)N)Cl TS47288 [1,1,0,0,0,0|2,0,0]=4 2364 B10R1.119 Cc1ccc(c(c1Cl)O)F TS42238 [1,1,0,0,0,0|2,0,0]=4 2365 B10R1.119 Cc1ccc(c(c1F)C)Br TS19503 [1,1,0,0,0,0|1,0,0]=3 2366 B10R1.119 Cc1ccc(c(c1F)F)F TS60224 [1,1,0,0,0,0|2,0,0]=4 2367 B10R1.119 Cc1ccc(c(c1F)F)O TS06918 [1,1,0,0,0,0|1,0,1]=4 2368 B10R1.119 Cc1ccc(c(c1F)O)Cl TS42236 [1,1,0,0,0,0|2,0,0]=4 2369 B10R1.119 Cc1ccc(c(c1F)O)F TS06919 [1,1,0,0,0,0|2,0,0]=4 2370 B10R1.119 Cc1ccc(c(c1I)C)I TS66274 [1,1,0,0,0,0|1,0,0]=3 2371 B10R1.119 Cc1ccc(c(c1N)C)Cl TS10627 [1,1,0,0,0,0|1,0,0]=3 2372 B10R1.119 Cc1ccc(c(c1O)C)O TS06266 [1,1,0,0,0,0|0,0,1]=3 2373 B10R1.119 Cc1ccc(c(c1O)Cl)N TS16778 [1,1,0,0,0,0|2,0,0]=4 2374 B10R1.119 Cn1ccc(=O)n(c1=O)C TS00376 [1,1,0,0,0,0|2,0,0]=4 2375 B10R1.34 Cc1c([nH]c(c1Br)C)C=O TS19317 [0,1,0,0,1,0|1,0,0]=3 2376 B10R1.34 Cc1c(n(c(n1)C=O)C)C TS08683 [0,1,0,0,1,0|2,0,0]=4 2377 B10R1.35 CCc1[nH]c(c(n1)C)C=O TS06276 [0,1,0,0,1,0|2,0,0]=4 2378 B10R1.59 Cc1c(nc(o1)C)C(=O)C TS08136 [0,1,0,0,1,0|2,0,0]=4 2379 B10R1.59 Cc1c(nc(o1)C)C(=O)Cl TS11181 [0,1,0,0,1,0|2,0,0]=4 2380 B10R1.59 Cc1c(nc(o1)C)C(=O)O TS06568 [0,1,0,0,1,0|2,0,0]=4 2381 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,1,0,0,1,0|2,0,0]=4 2382 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [0,1,0,0,1,0|2,0,0]=4 2383 B10R1.59 Cc1c(sc(n1)C)C(=O)C TS10596 [0,1,0,0,1,0|2,0,0]=4 2384 B10R1.59 Cc1c(sc(n1)C)C(=O)N TS10709 [0,1,0,0,1,0|2,0,0]=4 2385 B10R1.59 Cc1c(sc(n1)C)C(=O)O TS00649 [0,1,0,0,1,0|2,0,0]=4 2386 B10R1.59 Cc1cc([nH]c1C(=O)C)C TS37113 [0,1,0,0,1,0|1,0,0]=3 2387 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,1,0,0,1,0|1,0,0]=3 2388 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,1,0,0,1,0|1,0,0]=3 2389 B10R1.59 Cc1cc(c(o1)C)C(=O)C TS06252 [0,1,0,0,1,0|1,0,0]=3 2390 B10R1.59 Cc1cc(c(o1)C)C(=O)Cl TS11083 [0,1,0,0,1,0|1,0,0]=3 2391 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,1,0,0,1,0|1,0,0]=3 2392 B10R1.59 Cc1cc(c(s1)C)C(=O)C TS10466 [0,1,0,0,1,0|1,0,0]=3 2393 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,1,0,0,1,0|1,0,0]=3 2394 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,1,0,0,1,0|2,0,0]=4 2395 B10R1.59 Cc1cc(c(s1)N)C(=O)N TS10700 [0,1,0,0,1,0|2,0,0]=4 2396 B10R1.59 Cc1cc(n(n1)C(=O)N)C TS37284 [0,1,0,0,1,0|2,0,0]=4 2397 B10R1.59 Cc1cc(n(n1)C)C(=O)C TS37182 [0,1,0,0,1,0|2,0,0]=4 2398 B10R1.59 Cc1cc(n(n1)C)C(=O)Cl TS11087 [0,1,0,0,1,0|2,0,0]=4 2399 B10R1.59 Cc1cc(n(n1)C)C(=O)N TS06381 [0,1,0,0,1,0|2,0,0]=4 2400 B10R1.59 Cc1cc(n(n1)C)C(=O)O TS00371 [0,1,0,0,1,0|2,0,0]=4 2401 B10R1.130 Cc1cc([nH]c1C=NO)C TS06272 [0,1,0,0,1,0|1,0,1]=4 2402 B10R1.256 Cc1c(c(n(n1)C)C)C=O TS01595 [0,1,0,0,1,0|2,0,0]=4 2403 B10R1.256 Cc1c(c(n(n1)C)Cl)C=O TS60429 [0,1,0,0,1,0|2,0,0]=4 2404 B10R1.256 Cc1c(sc(c1C=O)C)C TS41404 [0,1,0,0,1,0|1,0,0]=3 2405 B10R1.194 Cc1c(c[nH]c1Br)C(=O)C TS38192 [0,1,0,0,1,0|2,0,0]=4 2406 B10R1.194 Cc1c(csc1C(=O)Cl)Br TS26407 [0,1,0,0,1,0|2,0,0]=4 2407 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,1,0,0,1,0|2,0,0]=4 2408 B10R1.194 Cc1c(onc1C(=O)O)C TS06567 [0,1,0,0,1,0|2,0,0]=4 2409 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,1,0,0,1,0|1,0,0]=3 2410 B10R1.194 Cc1ccc(n1C)C(=N)N TS06197 [0,1,0,0,1,0|2,0,0]=4 2411 B10R1.194 Cc1csc(c1Cl)C(=O)Cl TS51955 [0,1,0,0,1,0|2,0,0]=4 2412 B12R1.46 B(c1cc(ccc1C=O)C)(O)O TS46408 [0,2,0,0,0,0|1,0,0]=3 2413 B12R1.46 B(c1cc(ccc1C=O)Cl)(O)O TS60083 [0,2,0,0,0,0|2,0,0]=4 2414 B12R1.46 c1cc(c(cc1Br)[N+](=O)[O-])C=O TS70967 [0,2,0,0,0,0|2,0,0]=4 2415 B12R1.46 c1cc(c(cc1Cl)[N+](=O)[O-])C=O TS71025 [0,2,0,0,0,0|2,0,0]=4 2416 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,2,0,0,0,0|1,0,0]=3 2417 B12R1.57 CCc1c(cnc(n1)C)C(=O)O TS43070 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.57 CNc1cc(ccc1[N+](=O)[O-])Br TS87047 [0,2,0,0,0,0|2,0,0]=4 2419 B12R1.57 CNc1cc(ccc1[N+](=O)[O-])Cl TS15728 [0,2,0,0,0,0|2,0,0]=4 2420 B12R1.57 COc1cc(ccc1C(=O)O)Br TS59606 [0,2,0,0,0,0|1,0,0]=3 2421 B12R1.57 COc1cc(ccc1C(=O)O)Cl TS01848 [0,2,0,0,0,0|1,0,0]=3 2422 B12R1.57 COc1cc(ccc1C(=O)O)F TS59614 [0,2,0,0,0,0|1,0,0]=3 2423 B12R1.57 COc1cc(ccc1C(=O)O)N TS01091 [0,2,0,0,0,0|1,0,0]=3 2424 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl TS03256 [0,2,0,0,0,0|2,0,0]=4 2425 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F TS03304 [0,2,0,0,0,0|2,0,0]=4 2426 B12R1.57 Cc1ccc(c(c1)CBr)[N+](=O)[O-] TS94334 [0,2,0,0,0,0|1,0,0]=3 2427 B12R1.57 Cc1ccc(c(c1)CCl)[N+](=O)[O-] TS15511 [0,2,0,0,0,0|1,0,0]=3 2428 B12R1.57 Cc1ccc(c(c1)CO)[N+](=O)[O-] TS43215 [0,2,0,0,0,0|1,0,0]=3 2429 B12R1.57 Cc1ccc(c(c1)OC)C(=O)O TS71229 [0,2,0,0,0,0|0,0,0]=2 2430 B12R1.57 Cc1ccc(c(c1)OC)C(C)C TS42786 [0,2,0,0,0,0|1,0,1]=4 2431 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] TS08709 [0,2,0,0,0,0|1,0,0]=3 2432 B12R1.57 Cc1ccc(c(n1)OC)[N+](=O)[O-] TS12489 [0,2,0,0,0,0|2,0,0]=4 2433 B12R1.57 c1cc(c(cc1Cl)CO)[N+](=O)[O-] TS50618 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.57 c1cc(c(cc1O)CO)[N+](=O)[O-] TS12644 [0,2,0,0,0,0|2,0,0]=4 2435 B12R1.78 CCc1ccc(c(c1)CC)CC TS42509 [0,2,0,0,0,0|1,0,1]=4 2436 B12R1.78 CNc1c(cnc(n1)SC)C=O TS15159 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.78 COc1c(cnc(n1)OC)C=O TS40021 [0,2,0,0,0,0|2,0,0]=4 2438 B12R1.78 COc1cc(ccc1C=O)C#N TS32964 [0,2,0,0,0,0|0,0,1]=3 2439 B12R1.78 COc1ccc(c(c1)C#N)C=O TS02150 [0,2,0,0,0,0|0,0,1]=3 2440 B12R1.78 COc1ccc(c(c1)CCl)OC TS49008 [0,2,0,0,0,0|2,0,0]=4 2441 B12R1.78 COc1ccc(c(c1)CN)OC TS43240 [0,2,0,0,0,0|2,0,0]=4 2442 B12R1.78 COc1ccc(c(c1)CO)OC TS44863 [0,2,0,0,0,0|2,0,0]=4 2443 B12R1.78 COc1ccc(c(c1)OC)C#N TS42561 [0,2,0,0,0,0|1,0,1]=4 2444 B12R1.78 COc1ccc(c(c1)OC)C=O TS22990 [0,2,0,0,0,0|0,0,0]=2 2445 B12R1.78 COc1ccc(c(c1)OC)CN TS47233 [0,2,0,0,0,0|1,0,1]=4 2446 B12R1.78 COc1ccc(c(c1)OC)CN TS47270 [0,2,0,0,0,0|1,0,1]=4 2447 B12R1.78 COc1ccc(c(c1)OC)CO TS47232 [0,2,0,0,0,0|0,0,2]=4 2448 B12R1.78 COc1ccc(c(c1)OC)OC TS12521 [0,2,0,0,0,0|2,0,0]=4 2449 B12R1.78 COc1ccc(c(c1)OC)[Mg]Br TS57586 [0,2,0,0,0,0|2,0,0]=4 2450 B12R1.78 COc1ccc(c(c1)OC)[N+]#[C-] TS11685 [0,2,0,0,0,0|2,0,0]=4 2451 B12R1.78 COc1ccc(c(n1)OC)C=O TS07704 [0,2,0,0,0,0|1,0,0]=3 2452 B12R1.78 COc1ccc(cc1OC)CBr TS25019 [0,2,0,0,0,0|2,0,0]=4 2453 B12R1.78 COc1ccc(cc1OC)CCl TS49007 [0,2,0,0,0,0|2,0,0]=4 2454 B12R1.78 COc1ccc(cc1OC)CN TS38506 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.78 COc1ccc(cc1OC)CN TS43248 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.78 COc1ccc(cc1OC)CO TS44868 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.78 COc1ccc(cc1OC)SC TS48595 [0,2,0,0,0,0|2,0,0]=4 2458 B12R1.234 Cc1cc(c(c(c1)OC)OC)O TS12526 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.448 COc1cc(c(cc1C=O)F)F TS02219 [0,2,0,0,0,0|1,0,0]=3 2460 B12R1.448 Cc1cc(c(cc1C)CO)CO TS43117 [0,2,0,0,0,0|0,0,2]=4 2461 B12R1.448 Cc1cc(c(cc1C)CS)CS TS54107 [0,2,0,0,0,0|0,1,1]=4 2462 B12R1.448 Cc1cc(c(cc1N)OC)OC TS39457 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.69 Cc1ccc(c(c1)C)N=CNC TS11605 [0,2,0,0,0,0|1,0,0]=3 2464 B12R1.69 Cc1ccc(c(c1)C)SCCO TS15030 [0,2,0,0,0,0|0,0,2]=4 2465 B12R1.114 Cc1cc(ccc1CC#N)OC TS07806 [0,2,0,0,0,0|1,0,1]=4 2466 B12R1.114 Cc1cc(ccc1N=C=O)OC TS42559 [0,2,0,0,0,0|0,0,1]=3 2467 B12R1.114 Cc1cc(ccc1N=C=S)OC TS14443 [0,2,0,0,0,0|0,1,1]=4 2468 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,2,0,0,0,0|2,0,0]=4 2470 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,2,0,0,0,0|2,0,0]=4 2472 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,2,0,0,0,0|2,0,0]=4 2473 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,2,0,0,0,0|2,0,0]=4 2474 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,2,0,0,0,0|2,0,0]=4 2475 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,2,0,0,0,0|2,0,0]=4 2476 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,2,0,0,0,0|2,0,0]=4 2477 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,2,0,0,0,0|2,0,0]=4 2478 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,2,0,0,0,0|2,0,0]=4 2479 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,2,0,0,0,0|1,0,0]=3 2482 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,2,0,0,0,0|1,0,0]=3 2483 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,2,0,0,0,0|1,0,0]=3 2484 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,2,0,0,0,0|1,0,0]=3 2485 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,2,0,0,0,0|1,0,0]=3 2486 B12R1.233 Cc1cc(ccc1NC(=S)N)Cl TS38027 [0,2,0,0,0,0|1,1,0]=4 2487 B12R1.233 Cc1cc(ncc1NC(=O)C)Cl TS15393 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,2,0,0,0,0|1,0,0]=3 2489 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,2,0,0,0,0|0,0,0]=2 2490 B12R1.233 Cc1ccc(c(c1)C)NC(=S)N TS14656 [0,2,0,0,0,0|0,1,0]=3 2491 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,2,0,0,0,0|1,0,0]=3 2492 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,2,0,0,0,0|2,0,0]=4 2493 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,2,0,0,0,0|2,0,0]=4 2498 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.1095 Cc1cc(c(c(c1)C)C#N=O)C TS02121 [0,2,0,0,0,0|0,0,1]=3 2504 B12R1.1095 Cc1cc(c(c(c1)C)CC#N)C TS42086 [0,2,0,0,0,0|1,0,1]=4 2505 B12R1.1095 Cc1cc(c(c(c1)C)CCO)C TS42803 [0,2,0,0,0,0|0,0,2]=4 2506 B12R1.1095 Cc1cc(c(c(c1)C)N=C=O)C TS11410 [0,2,0,0,0,0|0,0,1]=3 2507 B12R1.1095 Cc1cc(c(c(c1)C)N=C=S)C TS14087 [0,2,0,0,0,0|0,1,1]=4 2508 B12R1.1095 Cc1cc(c(c(c1)C)NC=O)C TS42601 [0,2,0,0,0,0|0,0,0]=2 2509 B12R1.1123 Cc1cc(c(cc1C)CC#N)C TS42079 [0,2,0,0,0,0|1,0,1]=4 2510 B12R1.1123 Cc1cc(c(cc1C)N=C=S)C TS14093 [0,2,0,0,0,0|0,1,1]=4 2511 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,2,0,0,0,0|0,0,0]=2 2512 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,2,0,0,0,0|2,0,0]=4 2513 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [0,2,0,0,0,0|2,0,0]=4 2514 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,2,0,0,0,0|2,0,0]=4 2517 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [0,2,0,0,0,0|2,0,0]=4 2518 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [0,2,0,0,0,0|2,0,0]=4 2521 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,2,0,0,0,0|2,0,0]=4 2528 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [0,2,0,0,0,0|1,0,0]=3 2532 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [0,2,0,0,0,0|1,0,0]=3 2533 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,2,0,0,0,0|1,0,0]=3 2535 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,2,0,0,0,0|0,0,0]=2 2536 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,2,0,0,0,0|0,0,0]=2 2537 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,2,0,0,0,0|1,0,0]=3 2538 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [0,2,0,0,0,0|2,0,0]=4 2539 B12R1.1703 c1cc(c(cc1Br)Br)C(=O)CBr TS79366 [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.1703 c1cc(c(cc1Br)Cl)C(=O)NN TS27949 [0,2,0,0,0,0|2,0,0]=4 2541 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr TS30478 [0,2,0,0,0,0|2,0,0]=4 2542 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl TS50371 [0,2,0,0,0,0|2,0,0]=4 2543 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,2,0,0,0,0|2,0,0]=4 2544 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,2,0,0,0,0|2,0,0]=4 2545 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CO TS19898 [0,2,0,0,0,0|2,0,0]=4 2546 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,2,0,0,0,0|2,0,0]=4 2547 B12R1.1703 c1cc(c(cc1Cl)O)C(=O)NO TS50612 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O TS47217 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr TS25674 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl TS65390 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.1703 c1cc(c(cc1F)F)C(=O)CO TS45419 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.1703 c1cc(c(cc1F)F)C(=O)NN TS45422 [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,2,0,0,0,0|2,0,0]=4 2556 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN TS44835 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.126 Cc1cc(ccc1S(=O)(=O)C)F TS15964 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.126 Cc1cc(ccc1S(=O)(=O)Cl)Br TS30714 [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.126 Cc1cc(ccc1S(=O)(=O)Cl)F TS65135 [0,2,0,0,0,0|2,0,0]=4 2560 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)Br TS60388 [0,2,0,0,0,0|2,0,0]=4 2561 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)F TS50897 [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.126 Cc1cc(ccc1S(=O)(=O)O)N TS50556 [0,2,0,0,0,0|2,0,0]=4 2563 B12R1.126 Cc1ccc(c(c1)Br)S(=O)(=O)Cl TS30716 [0,2,0,0,0,0|2,0,0]=4 2564 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)Cl TS22991 [0,2,0,0,0,0|1,0,0]=3 2565 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)O TS48909 [0,2,0,0,0,0|1,0,0]=3 2566 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)[O-] TS20522 [0,2,0,0,0,0|1,0,0]=3 2567 B12R1.126 Cc1ccc(c(c1)Cl)S(=O)(=O)Cl TS23963 [0,2,0,0,0,0|2,0,0]=4 2568 B12R1.126 Cc1ccc(c(c1)F)S(=O)(=O)Cl TS65049 [0,2,0,0,0,0|2,0,0]=4 2569 B12R1.232 B(c1cc(c(cc1C)C)C)(O)O TS42655 [0,2,0,0,0,0|1,0,1]=4 2570 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F TS39128 [0,2,0,0,0,0|2,0,0]=4 2571 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F TS17188 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.232 CC(=O)c1cc(c(cc1F)F)F TS65321 [0,2,0,0,0,0|2,0,0]=4 2573 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O TS00007 [0,2,0,0,0,0|2,0,0]=4 2574 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F TS02220 [0,2,0,0,0,0|1,0,0]=3 2575 B12R1.232 Cc1cc(c(cc1C(=O)O)I)C TS31072 [0,2,0,0,0,0|0,0,0]=2 2576 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,2,0,0,0,0|0,0,0]=2 2577 B12R1.232 Cc1cc(c(cc1C)C(=O)O)C TS11857 [0,2,0,0,0,0|0,0,0]=2 2578 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,2,0,0,0,0|1,0,0]=3 2579 B12R1.232 Cc1cc(c(cc1C)[N+](=O)[O-])C TS12020 [0,2,0,0,0,0|1,0,0]=3 2580 B12R1.232 Cc1cc(c(cc1C)[N+](=O)[O-])N TS12212 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,2,0,0,0,0|1,0,0]=3 2582 B12R1.232 Cc1cc(c(cc1Cl)C)[N+](=O)[O-] TS15521 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.232 Cc1cc(c(cc1Cl)[N+](=O)[O-])O TS50614 [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.232 Cc1cc(c(cc1F)C(=O)Cl)F TS17187 [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F TS02134 [0,2,0,0,0,0|1,0,0]=3 2588 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O TS02127 [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.232 Cc1cc(c(cc1F)[N+](=O)[O-])F TS02109 [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.232 Cc1cc(c(cc1N)[N+](=O)[O-])C TS32891 [0,2,0,0,0,0|1,0,0]=3 2591 B12R1.232 Cc1cc(c(cc1N)[N+](=O)[O-])N TS12379 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.232 Cc1cc(c(cc1O)C(=O)O)Cl TS32912 [0,2,0,0,0,0|1,0,0]=3 2593 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,2,0,0,0,0|1,0,0]=3 2594 B12R1.232 Cc1cc(c(cc1O)[N+](=O)[O-])F TS45273 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Br)C TS24823 [0,2,0,0,0,0|1,0,0]=3 2596 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Br)F TS39473 [0,2,0,0,0,0|2,0,0]=4 2597 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])C)N TS43059 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Cl)C TS48794 [0,2,0,0,0,0|1,0,0]=3 2599 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Cl)Cl TS46783 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])F)F TS45588 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])I)C TS31195 [0,2,0,0,0,0|1,0,0]=3 2602 B12R1.232 c1c(c(cc(c1Br)Br)F)C(=O)O TS55992 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O TS65026 [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS25324 [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS28135 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.232 c1c(c(cc(c1Cl)Br)Cl)C(=O)O TS16759 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O TS09827 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)Cl TS74182 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O TS60382 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl TS24412 [0,2,0,0,0,0|2,0,0]=4 2615 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N TS20479 [0,2,0,0,0,0|2,0,0]=4 2616 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,2,0,0,0,0|2,0,0]=4 2617 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl TS43929 [0,2,0,0,0,0|2,0,0]=4 2618 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O TS16836 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)Cl TS43931 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O TS00873 [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl TS17960 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)N TS45907 [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O TS00582 [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] TS53952 [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O TS34691 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O TS02906 [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.232 c1c(c(cc(c1F)N)F)C(=O)O TS65116 [0,2,0,0,0,0|2,0,0]=4 2629 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,2,0,0,0,0|2,0,0]=4 2630 B12R1.232 c1c(c(cc(c1O)O)O)C(=O)O TS12755 [0,2,0,0,0,0|2,0,0]=4 2631 B12R1.452 B(c1ccc(cc1C)OC)(O)O TS32643 [0,2,0,0,0,0|1,0,1]=4 2632 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,2,0,0,0,0|1,0,0]=3 2633 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,2,0,0,0,0|1,0,0]=3 2634 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,2,0,0,0,0|1,0,0]=3 2635 B12R1.452 COc1cc(c(cn1)C(=O)O)N TS89711 [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.452 COc1ccc(c(c1)Br)C(=O)O TS53110 [0,2,0,0,0,0|1,0,0]=3 2637 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O TS00891 [0,2,0,0,0,0|1,0,0]=3 2638 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl TS55336 [0,2,0,0,0,0|1,0,0]=3 2639 B12R1.452 COc1ccc(c(c1)F)C(=O)O TS09296 [0,2,0,0,0,0|1,0,0]=3 2640 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] TS02761 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] TS54202 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.452 COc1ccc(c(c1)N)C(=O)N TS08947 [0,2,0,0,0,0|1,0,0]=3 2643 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [0,2,0,0,0,0|1,0,0]=3 2644 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] TS03354 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [0,2,0,0,0,0|1,0,0]=3 2646 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [0,2,0,0,0,0|1,0,0]=3 2647 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] TS03353 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O TS46395 [0,2,0,0,0,0|2,0,0]=4 2649 B12R1.452 Cc1c(ccc(n1)OC)[N+](=O)[O-] TS01256 [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])C#N TS09754 [0,2,0,0,0,0|1,0,1]=4 2651 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])C=O TS60020 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])CN TS65098 [0,2,0,0,0,0|1,0,0]=3 2653 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])CO TS12366 [0,2,0,0,0,0|1,0,0]=3 2654 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC TS39450 [0,2,0,0,0,0|1,0,0]=3 2655 B12R1.452 Cc1cc(ncc1[N+](=O)[O-])OC TS12498 [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O TS71088 [0,2,0,0,0,0|1,0,1]=4 2657 B12R1.452 c1cc(c(cc1CBr)F)[N+](=O)[O-] TS53548 [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.452 c1cc(c(cc1CBr)I)[N+](=O)[O-] TS78567 [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl TS50370 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.893 CC(=O)c1ccc(c(c1F)F)F TS65297 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C TS65115 [0,2,0,0,0,0|1,0,0]=3 2663 B12R1.893 Cc1c(c(ccc1[N+](=O)[O-])F)C TS02343 [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.893 Cc1c(c(ccc1[N+](=O)[O-])O)C TS43221 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F TS17189 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F TS09230 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O TS60318 [0,2,0,0,0,0|1,0,0]=3 2668 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.893 Cc1ccc(c(c1Br)N)C(=O)O TS22757 [0,2,0,0,0,0|1,0,0]=3 2670 B12R1.893 Cc1ccc(c(c1C)F)[N+](=O)[O-] TS12659 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.893 Cc1ccc(c(c1C)I)C(=O)O TS31075 [0,2,0,0,0,0|1,0,0]=3 2672 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,2,0,0,0,0|1,0,0]=3 2673 B12R1.893 Cc1ccc(c(c1C)N)[N+](=O)[O-] TS12226 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.893 Cc1ccc(c(c1F)C)C(=O)O TS44852 [0,2,0,0,0,0|0,0,0]=2 2675 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,2,0,0,0,0|1,0,0]=3 2676 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl TS17191 [0,2,0,0,0,0|1,0,0]=3 2677 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N TS12968 [0,2,0,0,0,0|1,0,0]=3 2678 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O TS45420 [0,2,0,0,0,0|1,0,0]=3 2679 B12R1.893 Cc1ccc(c(c1I)N)C(=O)O TS47367 [0,2,0,0,0,0|1,0,0]=3 2680 B12R1.893 Cc1ccc(c(c1O)Cl)[N+](=O)[O-] TS02168 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F TS09345 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F TS17958 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F TS45908 [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F TS65373 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F TS02327 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F TS09343 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br TS02331 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F TS00534 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I TS34692 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N TS39461 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O TS02333 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F TS09229 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O TS12754 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F TS53951 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.1000 B(c1c(cc(cc1C)C)C)(O)O TS16358 [0,2,0,0,0,0|1,0,1]=4 2698 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F TS47328 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS08799 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS44822 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.1000 Cc1cc(=O)oc(c1C(=O)O)C TS44812 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.1000 Cc1cc(c(c(=O)o1)C(=O)C)[O-] TS17015 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C TS11596 [0,2,0,0,0,0|0,0,0]=2 2704 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C TS07909 [0,2,0,0,0,0|0,0,0]=2 2705 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)N)C TS42595 [0,2,0,0,0,0|0,0,0]=2 2706 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C TS07908 [0,2,0,0,0,0|0,0,0]=2 2707 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C TS11743 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.1000 Cc1cc(c(c(c1)C)[N+](=O)[O-])C TS12014 [0,2,0,0,0,0|1,0,0]=3 2709 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,2,0,0,0,0|1,0,0]=3 2710 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)O TS44819 [0,2,0,0,0,0|1,0,0]=3 2711 B12R1.1000 Cc1cc(c(c(c1)O)[N+](=O)[O-])O TS12641 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)O)O TS12652 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.1000 Cc1cc(cc(c1C(=O)Cl)C)F TS48994 [0,2,0,0,0,0|1,0,0]=3 2714 B12R1.1000 Cc1cc(cc(c1C(=O)N)Cl)Cl TS19673 [0,2,0,0,0,0|1,0,0]=3 2715 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F TS09254 [0,2,0,0,0,0|1,0,0]=3 2716 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)O TS09130 [0,2,0,0,0,0|1,0,0]=3 2717 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O TS12486 [0,2,0,0,0,0|1,0,0]=3 2718 B12R1.1000 Cc1cc(cc(c1[N+](=O)[O-])C)N TS12238 [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.1000 Cc1cc(nc(c1C(=O)C)C)C TS11730 [0,2,0,0,0,0|1,0,0]=3 2720 B12R1.1000 Cc1cc(nc(c1C(=O)N)Cl)C TS48675 [0,2,0,0,0,0|1,0,0]=3 2721 B12R1.1000 Cc1cc(nc(c1C(=O)N)Cl)Cl TS40033 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.1000 Cc1cc(nc(c1C(=O)N)N)C TS12039 [0,2,0,0,0,0|1,0,0]=3 2723 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)C TS15510 [0,2,0,0,0,0|1,0,0]=3 2724 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)Cl TS86933 [0,2,0,0,0,0|2,0,0]=4 2725 B12R1.1000 Cc1cc(nc(c1C(=O)O)N)C TS43073 [0,2,0,0,0,0|1,0,0]=3 2726 B12R1.1000 c1c(cc(c(c1Br)C(=O)O)Br)Br TS66331 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl TS00593 [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl TS00592 [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F TS17963 [0,2,0,0,0,0|2,0,0]=4 2730 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)F TS45903 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br TS01845 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F TS00596 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O TS65360 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl TS38922 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F TS32777 [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.14 c1c(c(c(c(c1F)F)Cl)F)C=O TS17959 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.14 c1c(c(c(c(c1F)F)F)F)C=O TS09222 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.14 c1c(c(c(c(c1O)O)Br)Br)C=O TS35842 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.98 Cc1cc(c(c(c1Cl)C)C=O)O TS48656 [0,2,0,0,0,0|0,0,0]=2 2740 B12R1.98 c1c(c(c(c(c1Br)O)Br)C=O)Br TS66330 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.449 COc1cc(c(cc1Cl)F)C=O TS16080 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.449 COc1cc(c(cc1O)Br)C=O TS08323 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.449 Cc1cc(c(cc1CCl)CCl)C TS19528 [0,2,0,0,0,0|1,0,1]=4 2744 B12R1.449 Cc1cc(c(cc1CN)CN)C TS11926 [0,2,0,0,0,0|1,0,1]=4 2745 B12R1.450 Cc1cc(c(cc1CBr)C)CBr TS35470 [0,2,0,0,0,0|1,0,1]=4 2746 B12R1.450 Cc1cc(c(cc1CCl)C)CCl TS19529 [0,2,0,0,0,0|1,0,1]=4 2747 B12R1.450 Cc1cc(c(cc1OC)Br)OC TS25014 [0,2,0,0,0,0|2,0,0]=4 2748 B12R1.450 Cc1cc(c(cc1OC)C)C=O TS11896 [0,2,0,0,0,0|0,0,0]=2 2749 B12R1.450 Cc1cc(c(cc1OC)I)OC TS33991 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.450 Cc1cc(c(cc1OC)O)OC TS44866 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.653 COc1ccc(c(c1O)Cl)C=O TS15719 [0,2,0,0,0,0|1,0,0]=3 2752 B12R1.653 COc1ccc(c(c1O)O)C=O TS44826 [0,2,0,0,0,0|1,0,0]=3 2753 B12R1.653 Cc1c(c(ccc1C=O)OC)C TS47165 [0,2,0,0,0,0|0,0,0]=2 2754 B12R1.48 B(c1ccc(c(c1)F)C=O)(O)O TS16366 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.48 CN(C)c1ccc(c(c1)Cl)C=O TS48494 [0,2,0,0,0,0|1,0,0]=3 2756 B12R1.48 CN(C)c1ccc(c(c1)O)C=O TS42903 [0,2,0,0,0,0|1,0,0]=3 2757 B12R1.48 CN(C)c1ccc(c(c1)O)N=O TS38358 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.48 Cc1cc(ccc1C=O)N(C)C TS42599 [0,2,0,0,0,0|0,0,0]=2 2759 B12R1.48 Cc1cc(ccc1N=O)[N+](=O)[O-] TS12147 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.48 c1cc(c(cc1C(=O)O)O)C=O TS12141 [0,2,0,0,0,0|1,0,1]=4 2761 B12R1.48 c1cc(c(cc1[N+](=O)[O-])F)C=O TS55346 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O TS02007 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.288 CCOc1ccc(c(c1)O)C=O TS43031 [0,2,0,0,0,0|1,0,0]=3 2764 B12R1.288 Cc1cc(ccc1OC)CC#N TS42316 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.301 COc1cc(c(c(c1)F)C=O)F TS34644 [0,2,0,0,0,0|1,0,0]=3 2766 B12R1.301 Cc1cc(cc(c1C=O)C)OC TS11883 [0,2,0,0,0,0|0,0,0]=2 2767 B12R1.301 Cc1cc(cc(c1CBr)C)OC TS52802 [0,2,0,0,0,0|1,0,1]=4 2768 B12R1.301 Cc1cc(cc(c1CCl)C)OC TS48692 [0,2,0,0,0,0|1,0,1]=4 2769 B12R1.301 c1c(cc(c(c1Cl)C=O)Cl)C#N TS89372 [0,2,0,0,0,0|1,0,1]=4 2770 B12R1.301 c1c(cc(c(c1F)C=O)F)C#N TS07786 [0,2,0,0,0,0|1,0,1]=4 2771 B10R1.10 Cc1cccc(c1)NC=O TS36924 [0,0,1,1,0,0|1,0,1]=4 2772 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|1,0,0]=3 2773 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|1,0,0]=3 2774 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,1]=4 2775 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|2,0,0]=4 2776 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|2,0,0]=4 2777 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|2,0,0]=4 2778 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|0,0,2]=4 2779 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|2,0,0]=4 2780 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,1,0,0|2,0,0]=4 2781 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|2,0,0]=4 2782 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,1,0,0|2,0,0]=4 2783 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,1,0,0|2,0,0]=4 2784 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,1,0,0|2,0,0]=4 2785 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,1,0,0|2,0,0]=4 2786 B10R2.7 c1ccc2c(c1)cns2 TS06001 [1,0,0,1,0,0|2,0,0]=4 2787 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,1,0,0|1,0,1]=4 2788 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|0,0,0]=2 2789 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,1]=4 2790 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,1,0,1,0,0|1,0,1]=4 2791 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,1,0,1,0,0|1,0,1]=4 2792 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,1,0,1,0,0|1,0,1]=4 2793 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,1,0,1,0,0|1,0,1]=4 2794 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,1,0,1,0,0|1,0,1]=4 2795 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,1,0,1,0,0|1,0,1]=4 2796 B12R2.24 Cc1ccc2c(c1)NCCO2 TS48809 [0,1,0,1,0,0|2,0,0]=4 2797 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [0,1,0,1,0,0|1,0,1]=4 2798 B12R2.24 Cc1ccc2c(c1)cncn2 TS40185 [0,1,0,1,0,0|1,0,1]=4 2799 B12R2.24 Cc1ccc2c(c1)nccn2 TS40189 [0,1,0,1,0,0|2,0,0]=4 2800 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [0,1,0,1,0,0|1,0,1]=4 2801 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [0,1,0,1,0,0|1,0,1]=4 2802 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [0,1,0,1,0,0|1,0,1]=4 2803 B12R2.24 Cc1ccc2cnncc2c1 TS40192 [0,1,0,1,0,0|1,0,1]=4 2804 B12R2.132 Cc1ccc2c(c1)c(cs2)C TS11617 [0,1,0,1,0,0|2,0,0]=4 2805 B12R2.132 Cc1ccc2c(c1)c(no2)C TS07348 [0,1,0,1,0,0|2,0,0]=4 2806 B12R2.132 Cn1c2cc(ccc2cn1)Br TS88568 [0,1,0,1,0,0|2,0,0]=4 2807 B12R2.132 Cn1c2cc(ccc2cn1)N TS00472 [0,1,0,1,0,0|2,0,0]=4 2808 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|0,0,0]=2 2809 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,1,0,1,0,0|0,0,0]=2 2810 B12R2.612 Cc1ccc2c(c1)[nH]nc2Br TS21070 [0,1,0,1,0,0|2,0,0]=4 2811 B12R2.612 Cc1ccc2c(c1)[nH]nc2Cl TS12320 [0,1,0,1,0,0|2,0,0]=4 2812 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [0,1,0,1,0,0|1,0,1]=4 2813 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,1,0,1,0,0|2,0,0]=4 2814 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,1,0,1,0,0|2,0,0]=4 2815 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,1,0,1,0,0|1,0,0]=3 2816 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,1,0,1,0,0|1,0,0]=3 2817 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,1,0,1,0,0|1,0,0]=3 2818 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,1,0,1,0,0|1,0,0]=3 2819 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,1,0,1,0,0|1,0,0]=3 2820 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,1,0,1,0,0|1,0,0]=3 2821 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,1,0,1,0,0|1,0,0]=3 2822 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,1,0,1,0,0|1,0,0]=3 2823 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,1,0,1,0,0|1,0,0]=3 2824 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,1,0,1,0,0|1,0,0]=3 2825 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,1,0,1,0,0|1,0,0]=3 2826 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,1,0,1,0,0|1,0,0]=3 2827 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,1,0,1,0,0|1,0,0]=3 2828 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,1,0,1,0,0|1,0,0]=3 2829 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,1,0,1,0,0|1,0,0]=3 2830 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,1,0,1,0,0|1,0,0]=3 2831 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,1,0,1,0,0|1,0,0]=3 2832 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,1,0,1,0,0|1,0,0]=3 2833 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,1,0,1,0,0|1,0,0]=3 2834 B12R2.246 Cc1cc(c2c(c1)CC=C2)C TS06995 [0,1,0,1,0,0|1,0,0]=3 2835 B12R2.246 Cc1cc(c2c(c1)scn2)O TS94271 [0,1,0,1,0,0|1,1,0]=4 2836 B12R2.246 Cc1cc(c2cc[nH]c2c1)C TS07120 [0,1,0,1,0,0|1,0,0]=3 2837 B12R2.246 Cc1cc(c2cn[nH]c2c1)C TS40431 [0,1,0,1,0,0|1,0,0]=3 2838 B12R2.246 Cc1cc(c2cn[nH]c2c1)N TS40543 [0,1,0,1,0,0|2,0,0]=4 2839 B12R2.246 Cc1cc(cc2c1cc[nH]2)N TS40449 [0,1,0,1,0,0|2,0,0]=4 2840 B12R2.246 Cc1cc(cc2c1cn[nH]2)F TS09851 [0,1,0,1,0,0|2,0,0]=4 2841 B12R2.246 Cc1cc(cc2c1nc[nH]2)Br TS21072 [0,1,0,1,0,0|2,0,0]=4 2842 B12R2.246 Cc1cc2c(cc[nH]2)c(c1)O TS07345 [0,1,0,1,0,0|2,0,0]=4 2843 B12R2.246 Cc1cc2c(cn[nH]2)c(c1)O TS40627 [0,1,0,1,0,0|2,0,0]=4 2844 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 TS07438 [0,1,0,1,0,0|1,0,0]=3 2845 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [0,1,0,1,0,0|1,0,0]=3 2846 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)S TS94295 [0,1,0,1,0,0|1,1,0]=4 2847 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C TS47275 [0,1,0,1,0,0|1,0,1]=4 2848 B12R2.606 Cc1ccc2c(c1)cc(s2)Br TS52472 [0,1,0,1,0,0|1,0,1]=4 2849 B12R2.606 Cc1ccc2c(c1)cc(s2)C TS11615 [0,1,0,1,0,0|1,0,1]=4 2850 B12R2.606 Cc1ccc2c(c1)nc([nH]2)C TS40430 [0,1,0,1,0,0|2,0,0]=4 2851 B12R2.606 Cc1ccc2c(c1)nc([nH]2)N TS40540 [0,1,0,1,0,0|2,0,0]=4 2852 B12R2.606 Cc1ccc2c(c1)nc([se]2)C TS43742 [0,1,0,1,0,0|2,0,0]=4 2853 B12R2.606 Cc1ccc2c(c1)nc(o2)C TS40520 [0,1,0,1,0,0|2,0,0]=4 2854 B12R2.606 Cc1ccc2c(c1)nc(o2)S TS42919 [0,1,0,1,0,0|1,1,0]=4 2855 B12R2.606 Cc1ccc2c(c1)nc(s2)N TS08953 [0,1,0,1,0,0|2,0,0]=4 2856 B12R2.606 Cc1ccc2c(c1)nc(s2)S TS48128 [0,1,0,1,0,0|1,1,0]=4 2857 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 TS42926 [0,1,0,1,0,0|1,0,0]=3 2858 B12R2.606 Cc1ccc2c(c1)sc(n2)Br TS85132 [0,1,0,1,0,0|2,0,0]=4 2859 B12R2.606 Cc1ccc2c(c1)sc(n2)C TS11740 [0,1,0,1,0,0|2,0,0]=4 2860 B12R2.606 Cc1ccc2c(c1)sc(n2)Cl TS07937 [0,1,0,1,0,0|2,0,0]=4 2861 B12R2.606 Cc1ccc2c(c1)sc(n2)N TS16301 [0,1,0,1,0,0|2,0,0]=4 2862 B12R2.606 Cc1ccc2c(c1)sc(n2)S TS48130 [0,1,0,1,0,0|1,1,0]=4 2863 B12R2.606 Cc1ccc2cc(sc2c1)C TS77504 [0,1,0,1,0,0|2,0,0]=4 2864 B12R2.606 c1c(cnc2c1CC(=O)N2)Br TS03246 [0,1,0,1,0,0|2,0,0]=4 2865 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl TS90494 [0,1,0,1,0,0|2,0,0]=4 2866 B12R2.606 c1c(cnc2c1CC(=O)N2)F TS90496 [0,1,0,1,0,0|2,0,0]=4 2867 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 TS90064 [0,1,0,1,0,0|2,0,0]=4 2868 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 TS90894 [0,1,0,1,0,0|2,0,0]=4 2869 B12R2.606 c1cc(nc2c1NC(=O)C2)Br TS85624 [0,1,0,1,0,0|2,0,0]=4 2870 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl TS44941 [0,1,0,1,0,0|2,0,0]=4 2871 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,1,0,1,0,0|1,0,0]=3 2872 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 TS09811 [0,1,0,1,0,0|1,0,0]=3 2873 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 TS16474 [0,1,0,1,0,0|2,0,0]=4 2874 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [0,1,0,1,0,0|2,0,0]=4 2875 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)o2 TS44434 [0,1,0,1,0,0|2,0,0]=4 2876 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 TS55544 [0,1,0,1,0,0|2,0,0]=4 2877 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 TS24828 [0,1,0,1,0,0|2,0,0]=4 2878 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [0,1,0,1,0,0|1,0,0]=3 2879 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [0,1,0,1,0,0|2,0,0]=4 2880 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [0,1,0,1,0,0|2,0,0]=4 2881 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [0,1,0,1,0,0|2,0,0]=4 2882 B12R2.606 c1cc2c(cc1Cl)oc(=O)[nH]2 TS45042 [0,1,0,1,0,0|2,0,0]=4 2883 B12R2.606 c1cc2c(cc1Cl)sc(=O)[nH]2 TS55564 [0,1,0,1,0,0|2,0,0]=4 2884 B12R2.606 c1cc2c(cc1F)CC(=O)C2 TS40837 [0,1,0,1,0,0|1,0,0]=3 2885 B12R2.606 c1cc2c(cc1F)CC(=O)N2 TS03325 [0,1,0,1,0,0|1,0,0]=3 2886 B12R2.606 c1cc2c(cc1F)NC(=O)C2 TS01232 [0,1,0,1,0,0|2,0,0]=4 2887 B12R2.606 c1cc2c(cc1F)[nH]c(=O)[nH]2 TS03295 [0,1,0,1,0,0|2,0,0]=4 2888 B12R2.606 c1cc2c(cc1F)sc(=O)[nH]2 TS01225 [0,1,0,1,0,0|2,0,0]=4 2889 B12R2.606 c1cc2c(cc1I)[nH]c(=O)[nH]2 TS29410 [0,1,0,1,0,0|2,0,0]=4 2890 B12R2.606 c1cc2c(cc1N)CC(=O)N2 TS71383 [0,1,0,1,0,0|1,0,0]=3 2891 B12R2.606 c1cc2c(cc1N)NC(=O)C2 TS87386 [0,1,0,1,0,0|2,0,0]=4 2892 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 TS03216 [0,1,0,1,0,0|2,0,0]=4 2893 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 TS00366 [0,1,0,1,0,0|2,0,0]=4 2894 B12R2.606 c1cc2c(cc1O)CC(=O)N2 TS03339 [0,1,0,1,0,0|1,0,0]=3 2895 B12R2.606 c1cc2c(cc1O)CC(=O)O2 TS07646 [0,1,0,1,0,0|1,0,0]=3 2896 B12R2.606 c1cc2c(cc1O)NC(=O)C2 TS16297 [0,1,0,1,0,0|2,0,0]=4 2897 B12R2.606 c1cc2c(cc1O)oc(=O)[nH]2 TS10001 [0,1,0,1,0,0|2,0,0]=4 2898 B12R2.606 c1cc2c(cc1O)oc(=O)s2 TS12513 [0,1,0,1,0,0|2,0,0]=4 2899 B12R2.606 c1cc2c(cc1O)sc(=O)o2 TS12515 [0,1,0,1,0,0|2,0,0]=4 2900 B12R2.44 CCc1ccc2cc[nH]c2c1 TS60097 [0,1,0,1,0,0|2,0,0]=4 2901 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [0,1,0,1,0,0|1,0,1]=4 2902 B12R2.44 COc1ccc2c(c1)CCN2 TS71586 [0,1,0,1,0,0|2,0,0]=4 2903 B12R2.44 COc1ccc2c(c1)CNC2 TS03348 [0,1,0,1,0,0|1,0,1]=4 2904 B12R2.44 COc1ccc2cc[nH]c2c1 TS55616 [0,1,0,1,0,0|2,0,0]=4 2905 B12R2.44 COc1ccc2cn[nH]c2c1 TS01249 [0,1,0,1,0,0|2,0,0]=4 2906 B12R2.44 CSc1ccc2c(c1)CCN2 TS32983 [0,1,0,1,0,0|2,0,0]=4 2907 B12R2.44 c1cc(cc2c1cc[nH]2)CN TS40433 [0,1,0,1,0,0|2,0,0]=4 2908 B12R2.44 c1cc(cc2c1cc[nH]2)CO TS07327 [0,1,0,1,0,0|2,0,0]=4 2909 B12R2.44 c1cc2c(cc1CCl)CCO2 TS12611 [0,1,0,1,0,0|2,0,0]=4 2910 B12R2.44 c1cc2c(cc1CO)CCO2 TS09874 [0,1,0,1,0,0|2,0,0]=4 2911 B12R2.44 c1cc2cn[nH]c2cc1CN TS87404 [0,1,0,1,0,0|2,0,0]=4 2912 B12R2.44 c1cc2cn[nH]c2cc1CO TS86005 [0,1,0,1,0,0|2,0,0]=4 2913 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [1,0,0,0,1,0|2,0,0]=4 2914 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [1,0,0,0,1,0|2,0,0]=4 2915 B8R1.1 Cc1cc(no1)C=O TS08758 [1,0,0,0,1,0|2,0,0]=4 2916 B8R1.1 Cc1cc(sc1)C=O TS36137 [1,0,0,0,1,0|1,0,0]=3 2917 B8R1.1 Cc1ccc(o1)C=O TS29447 [1,0,0,0,1,0|1,0,0]=3 2918 B8R1.1 Cc1ccc(s1)C=O TS01147 [1,0,0,0,1,0|1,0,0]=3 2919 B8R1.1 Cc1coc(n1)C=O TS90033 [1,0,0,0,1,0|2,0,0]=4 2920 B8R1.1 Cc1csc(n1)C=O TS86523 [1,0,0,0,1,0|2,0,0]=4 2921 B8R1.1 Cc1nc(cs1)C=O TS55442 [1,0,0,0,1,0|2,0,0]=4 2922 B8R1.1 Cc1ncc(o1)C=O TS02441 [1,0,0,0,1,0|2,0,0]=4 2923 B8R1.1 Cn1cc(cn1)C=O TS00477 [1,0,0,0,1,0|2,0,0]=4 2924 B8R1.1 Cn1cc(nc1)C=O TS31819 [1,0,0,0,1,0|2,0,0]=4 2925 B8R1.1 Cn1ccc(n1)C=O TS00048 [1,0,0,0,1,0|2,0,0]=4 2926 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [1,0,0,0,1,0|2,0,0]=4 2927 B8R1.1 c1c(coc1C=O)Br TS39327 [1,0,0,0,1,0|2,0,0]=4 2928 B8R1.1 c1c(csc1Br)C=O TS90833 [1,0,0,0,1,0|2,0,0]=4 2929 B8R1.1 c1c(csc1C=O)Br TS70971 [1,0,0,0,1,0|2,0,0]=4 2930 B8R1.1 c1c(csc1C=O)Cl TS88146 [1,0,0,0,1,0|2,0,0]=4 2931 B8R1.1 c1c(csc1Cl)C=O TS87564 [1,0,0,0,1,0|2,0,0]=4 2932 B8R1.1 c1cc(oc1C=O)Br TS71428 [1,0,0,0,1,0|2,0,0]=4 2933 B8R1.1 c1cc(oc1C=O)I TS50041 [1,0,0,0,1,0|2,0,0]=4 2934 B8R1.1 c1cc(sc1C=O)Br TS71469 [1,0,0,0,1,0|2,0,0]=4 2935 B8R1.1 c1cc(sc1C=O)Cl TS60086 [1,0,0,0,1,0|2,0,0]=4 2936 B8R1.1 c1cc(sc1C=O)Cl TS77528 [1,0,0,0,1,0|2,0,0]=4 2937 B8R1.11 Cc1c(c[nH]n1)C=O TS70654 [1,0,0,0,1,0|2,0,0]=4 2938 B8R1.11 Cc1c(c[nH]n1)C=O TS91068 [1,0,0,0,1,0|2,0,0]=4 2939 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [1,0,0,0,1,0|2,0,0]=4 2940 B8R1.11 Cc1c(scn1)C=O TS08697 [1,0,0,0,1,0|2,0,0]=4 2941 B8R1.11 Cc1cc[nH]c1C=O TS31796 [1,0,0,0,1,0|1,0,0]=3 2942 B8R1.11 Cc1ccsc1C=O TS70683 [1,0,0,0,1,0|1,0,0]=3 2943 B8R1.11 Cn1c(ccn1)C=O TS16650 [1,0,0,0,1,0|2,0,0]=4 2944 B8R1.11 Cn1cccc1C=O TS31795 [1,0,0,0,1,0|1,0,0]=3 2945 B8R1.11 Cn1ccnc1C=O TS00052 [1,0,0,0,1,0|2,0,0]=4 2946 B8R1.11 Cn1cncc1C=O TS00469 [1,0,0,0,1,0|2,0,0]=4 2947 B8R1.11 c1c(c(cs1)Br)C=O TS09451 [1,0,0,0,1,0|2,0,0]=4 2948 B8R1.11 c1c[nH]c(c1Br)C=O TS90463 [1,0,0,0,1,0|2,0,0]=4 2949 B8R1.11 c1c[nH]c(c1Cl)C=O TS88935 [1,0,0,0,1,0|2,0,0]=4 2950 B8R1.11 c1coc(c1Br)C=O TS45892 [1,0,0,0,1,0|2,0,0]=4 2951 B8R1.11 c1csc(c1Br)C=O TS60011 [1,0,0,0,1,0|2,0,0]=4 2952 B8R1.11 c1csc(c1Cl)C=O TS02034 [1,0,0,0,1,0|2,0,0]=4 2953 B8R1.18 CC1=CC(=O)OC1=O TS22789 [1,0,0,0,1,0|2,0,0]=4 2954 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [1,0,0,0,1,0|1,0,1]=4 2955 B8R1.18 Cc1cc(c(o1)C)S TS36314 [1,0,0,0,1,0|1,1,0]=4 2956 B8R1.18 Cc1cc(sc1C)C TS36170 [1,0,0,0,1,0|1,0,1]=4 2957 B8R1.50 CN1C(=O)C=CC1=O TS04240 [1,0,0,0,1,0|2,0,0]=4 2958 B8R1.50 Cc1ccc(n1C)C TS31807 [1,0,0,0,1,0|1,0,1]=4 2959 B10R1.332 c1cc(c(=O)ccc1Br)O TS19138 [1,0,0,0,0,1|2,0,0]=4