0 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.1 C#Cc1ccc(cc1)F TS07664 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.1 C#Cc1ccc(cc1)N TS04675 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.1 C#Cc1ccc(cc1)O TS71112 [0,0,0,0,0,0|0,0,2]=2 5 B9R1.1 C#Cc1ccc(cn1)Br TS14869 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.1 C#Cc1ccc(cn1)F TS04857 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.1 C=Cc1ccc(cc1)F TS32505 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.1 C=Cc1ccc(cc1)N TS04791 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.1 C=Cc1ccc(cc1)O TS71308 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.1 CCc1ccc(cc1)Br TS01944 [0,0,0,0,0,0|1,0,2]=3 13 B9R1.1 CCc1ccc(cc1)Cl TS37449 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.1 CCc1ccc(cc1)F TS05030 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.1 CCc1ccc(cc1)I TS25158 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.1 CCc1ccc(cc1)N TS04870 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.1 CCc1ccc(cc1)O TS04905 [0,0,0,0,0,0|0,0,2]=2 18 B9R1.1 CCc1ccc(cc1)S TS06298 [0,0,0,0,0,0|0,1,2]=3 19 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.1 CCc1ccc(nc1)C TS32477 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.1 CCc1ccc(nc1)O TS04959 [0,0,0,0,0,0|1,0,2]=3 22 B9R1.1 CNc1ccc(cc1)Br TS48830 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.1 CNc1ccc(cc1)Cl TS37534 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.1 CNc1ccc(cc1)F TS36055 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.1 CNc1ccc(cc1)I TS32640 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.1 CNc1ccc(cc1)N TS04921 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.1 CNc1ccc(cc1)N TS17998 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.1 CNc1ccc(cc1)O TS04963 [0,0,0,0,0,0|1,0,1]=2 29 B9R1.1 CNc1ccc(cc1)O TS78698 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.1 CNc1ccc(nc1)Br TS49023 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.1 COc1ccc(cc1)Cl TS37682 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.1 COc1ccc(cc1)F TS32969 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.1 COc1ccc(cc1)I TS59516 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.1 COc1ccc(cc1)N TS01634 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.1 COc1ccc(cc1)N TS11193 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.1 COc1ccc(cc1)N TS93025 [0,0,0,0,0,0|2,0,1]=3 37 B9R1.1 COc1ccc(cc1)O TS02083 [0,0,0,0,0,0|1,0,1]=2 38 B9R1.1 COc1ccc(cc1)S TS06486 [0,0,0,0,0,0|1,1,1]=3 39 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.1 COc1ccc(cn1)Br TS09790 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.1 COc1ccc(cn1)Cl TS71503 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.1 COc1ccc(cn1)F TS71544 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.1 COc1ccc(cn1)I TS01075 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.1 COc1ccc(cn1)N TS05017 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.1 COc1ccc(cn1)O TS71568 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.1 COc1ccc(nc1)Br TS08354 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.1 COc1ccc(nc1)Cl TS00910 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.1 COc1ccc(nc1)N TS47440 [0,0,0,0,0,0|3,0,1]=4 49 B9R1.1 COc1ccn(=O)cc1 TS71219 [0,0,0,0,0,0|2,0,2]=4 50 B9R1.1 CSc1ccc(cc1)Br TS09618 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.1 CSc1ccc(cc1)Cl TS42001 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.1 CSc1ccc(cc1)F TS06687 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.1 CSc1ccc(cc1)I TS27986 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.1 CSc1ccc(cc1)N TS06394 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.1 CSc1ccc(cc1)O TS37396 [0,0,0,0,0,0|1,0,1]=2 56 B9R1.1 CSc1ccc(cc1)S TS41710 [0,0,0,0,0,0|1,1,1]=3 57 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [0,0,0,0,0,0|2,0,1]=3 58 B9R1.1 CSc1ccc(cn1)Br TS71433 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.1 CSc1ccc(nc1)N TS37399 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.1 Cc1ccc(cc1)C#C TS32874 [0,0,0,0,0,0|1,0,2]=3 62 B9R1.1 Cc1ccc(cc1)C#N TS04679 [0,0,0,0,0,0|2,0,1]=3 63 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,0,0,0,0,0|1,0,0]=1 64 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.1 Cc1ccc(cc1)CBr TS03170 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.1 Cc1ccc(cc1)CCl TS37455 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.1 Cc1ccc(cc1)CN TS32473 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.1 Cc1ccc(cc1)CO TS04902 [0,0,0,0,0,0|2,0,1]=3 69 B9R1.1 Cc1ccc(cc1)CS TS06300 [0,0,0,0,0,0|2,0,1]=3 70 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.1 Cc1ccc(cc1)NN TS01655 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.1 Cc1ccc(cc1)NN TS23082 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,0,0,0,0,0|2,0,1]=3 74 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,0,0,0,0,0|2,0,1]=3 75 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,0,0,0,0,0|2,0,0]=2 79 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,0,0,0,0,0|3,0,1]=4 81 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.1 Cc1cnc(cn1)C=C TS04818 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.1 Cc1cnc(cn1)C=O TS88939 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.1 Cc1cnc(nc1)C=O TS90871 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.1 Cc1ncc(cn1)C=O TS08763 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [0,0,0,0,0,0|2,0,1]=3 92 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [0,0,0,0,0,0|2,0,1]=3 93 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [0,0,0,0,0,0|2,0,1]=3 94 B9R1.1 c1c(cnc(n1)C=O)Cl TS88591 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.1 c1c(cnc(n1)C=O)F TS89712 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [0,0,0,0,0,0|2,0,2]=4 100 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [0,0,0,0,0,0|2,0,2]=4 101 B9R1.1 c1cc(ccc1C#N)Br TS09595 [0,0,0,0,0,0|2,0,1]=3 102 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [0,0,0,0,0,0|2,0,1]=3 103 B9R1.1 c1cc(ccc1C#N)F TS93132 [0,0,0,0,0,0|2,0,1]=3 104 B9R1.1 c1cc(ccc1C#N)I TS09717 [0,0,0,0,0,0|2,0,1]=3 105 B9R1.1 c1cc(ccc1C#N)N TS70912 [0,0,0,0,0,0|2,0,1]=3 106 B9R1.1 c1cc(ccc1C#N)O TS03063 [0,0,0,0,0,0|1,0,1]=2 107 B9R1.1 c1cc(ccc1C#N)S TS03071 [0,0,0,0,0,0|1,1,1]=3 108 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [0,0,0,0,0,0|2,0,1]=3 109 B9R1.1 c1cc(ccc1C=O)Br TS09589 [0,0,0,0,0,0|2,0,0]=2 110 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [0,0,0,0,0,0|2,0,0]=2 111 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [0,0,0,0,0,0|2,0,0]=2 112 B9R1.1 c1cc(ccc1C=O)F TS03079 [0,0,0,0,0,0|2,0,0]=2 113 B9R1.1 c1cc(ccc1C=O)I TS71194 [0,0,0,0,0,0|2,0,0]=2 114 B9R1.1 c1cc(ccc1C=O)N TS08868 [0,0,0,0,0,0|2,0,0]=2 115 B9R1.1 c1cc(ccc1C=O)O TS01630 [0,0,0,0,0,0|1,0,0]=1 116 B9R1.1 c1cc(ccc1C=O)O TS42180 [0,0,0,0,0,0|1,0,0]=1 117 B9R1.1 c1cc(ccc1CBr)Br TS09598 [0,0,0,0,0,0|2,0,1]=3 118 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [0,0,0,0,0,0|2,0,1]=3 119 B9R1.1 c1cc(ccc1CBr)F TS03088 [0,0,0,0,0,0|2,0,1]=3 120 B9R1.1 c1cc(ccc1CBr)I TS09718 [0,0,0,0,0,0|2,0,1]=3 121 B9R1.1 c1cc(ccc1CBr)O TS16899 [0,0,0,0,0,0|1,0,1]=2 122 B9R1.1 c1cc(ccc1CCl)Br TS16774 [0,0,0,0,0,0|2,0,1]=3 123 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [0,0,0,0,0,0|2,0,1]=3 124 B9R1.1 c1cc(ccc1CCl)F TS07044 [0,0,0,0,0,0|2,0,1]=3 125 B9R1.1 c1cc(ccc1CN)Br TS09597 [0,0,0,0,0,0|2,0,1]=3 126 B9R1.1 c1cc(ccc1CN)Br TS60052 [0,0,0,0,0,0|2,0,1]=3 127 B9R1.1 c1cc(ccc1CN)Cl TS33154 [0,0,0,0,0,0|2,0,1]=3 128 B9R1.1 c1cc(ccc1CN)Cl TS71062 [0,0,0,0,0,0|2,0,1]=3 129 B9R1.1 c1cc(ccc1CN)F TS03087 [0,0,0,0,0,0|2,0,1]=3 130 B9R1.1 c1cc(ccc1CN)F TS42359 [0,0,0,0,0,0|2,0,1]=3 131 B9R1.1 c1cc(ccc1CN)I TS07803 [0,0,0,0,0,0|2,0,1]=3 132 B9R1.1 c1cc(ccc1CN)I TS73917 [0,0,0,0,0,0|2,0,1]=3 133 B9R1.1 c1cc(ccc1CN)N TS32510 [0,0,0,0,0,0|2,0,1]=3 134 B9R1.1 c1cc(ccc1CN)O TS38524 [0,0,0,0,0,0|1,0,1]=2 135 B9R1.1 c1cc(ccc1CN)O TS71170 [0,0,0,0,0,0|1,0,1]=2 136 B9R1.1 c1cc(ccc1CO)Br TS16773 [0,0,0,0,0,0|2,0,1]=3 137 B9R1.1 c1cc(ccc1CO)Cl TS37684 [0,0,0,0,0,0|2,0,1]=3 138 B9R1.1 c1cc(ccc1CO)F TS36109 [0,0,0,0,0,0|2,0,1]=3 139 B9R1.1 c1cc(ccc1CO)I TS02234 [0,0,0,0,0,0|2,0,1]=3 140 B9R1.1 c1cc(ccc1CO)N TS70914 [0,0,0,0,0,0|2,0,1]=3 141 B9R1.1 c1cc(ccc1CO)O TS46479 [0,0,0,0,0,0|1,0,1]=2 142 B9R1.1 c1cc(ccc1CO)S TS37388 [0,0,0,0,0,0|1,1,1]=3 143 B9R1.1 c1cc(ccc1CS)Br TS19522 [0,0,0,0,0,0|2,0,1]=3 144 B9R1.1 c1cc(ccc1CS)Cl TS42005 [0,0,0,0,0,0|2,0,1]=3 145 B9R1.1 c1cc(ccc1CS)F TS06684 [0,0,0,0,0,0|2,0,1]=3 146 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [0,0,0,0,0,0|2,0,1]=3 147 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [0,0,0,0,0,0|3,0,0]=3 148 B9R1.1 c1cc(ccc1N=O)O TS32551 [0,0,0,0,0,0|2,0,0]=2 149 B9R1.1 c1cc(ccc1NN)Br TS50374 [0,0,0,0,0,0|3,0,0]=3 150 B9R1.1 c1cc(ccc1NN)Cl TS06801 [0,0,0,0,0,0|3,0,0]=3 151 B9R1.1 c1cc(ccc1NN)Cl TS67272 [0,0,0,0,0,0|3,0,0]=3 152 B9R1.1 c1cc(ccc1NN)I TS53552 [0,0,0,0,0,0|3,0,0]=3 153 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [0,0,0,0,0,0|3,0,0]=3 154 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [0,0,0,0,0,0|3,0,0]=3 155 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [0,0,0,0,0,0|3,0,0]=3 156 B9R1.1 c1cc(ncc1Br)C#N TS71416 [0,0,0,0,0,0|3,0,1]=4 157 B9R1.1 c1cc(ncc1Br)C=O TS71427 [0,0,0,0,0,0|3,0,0]=3 158 B9R1.1 c1cc(ncc1Br)CO TS71442 [0,0,0,0,0,0|3,0,1]=4 159 B9R1.1 c1cc(ncc1Br)NN TS71429 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.1 c1cc(ncc1C#N)Br TS55125 [0,0,0,0,0,0|3,0,1]=4 161 B9R1.1 c1cc(ncc1C#N)Cl TS55237 [0,0,0,0,0,0|3,0,1]=4 162 B9R1.1 c1cc(ncc1C#N)F TS04893 [0,0,0,0,0,0|3,0,1]=4 163 B9R1.1 c1cc(ncc1C#N)O TS39788 [0,0,0,0,0,0|2,0,1]=3 164 B9R1.1 c1cc(ncc1C=O)Br TS16478 [0,0,0,0,0,0|3,0,0]=3 165 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [0,0,0,0,0,0|3,0,0]=3 166 B9R1.1 c1cc(ncc1C=O)F TS01040 [0,0,0,0,0,0|3,0,0]=3 167 B9R1.1 c1cc(ncc1C=O)N TS87752 [0,0,0,0,0,0|3,0,0]=3 168 B9R1.1 c1cc(ncc1C=O)O TS55611 [0,0,0,0,0,0|2,0,0]=2 169 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [0,0,0,0,0,0|3,0,1]=4 170 B9R1.1 c1cc(ncc1CBr)F TS90058 [0,0,0,0,0,0|3,0,1]=4 171 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [0,0,0,0,0,0|3,0,1]=4 172 B9R1.1 c1cc(ncc1CCl)F TS86320 [0,0,0,0,0,0|3,0,1]=4 173 B9R1.1 c1cc(ncc1CN)Cl TS71379 [0,0,0,0,0,0|3,0,1]=4 174 B9R1.1 c1cc(ncc1CN)F TS87785 [0,0,0,0,0,0|3,0,1]=4 175 B9R1.1 c1cc(ncc1CO)Br TS22929 [0,0,0,0,0,0|3,0,1]=4 176 B9R1.1 c1cc(ncc1CO)Cl TS55248 [0,0,0,0,0,0|3,0,1]=4 177 B9R1.1 c1cc(ncc1CO)F TS85126 [0,0,0,0,0,0|3,0,1]=4 178 B9R1.1 c1cc(ncc1CO)N TS46564 [0,0,0,0,0,0|3,0,1]=4 179 B9R1.1 c1cc(ncc1Cl)C#N TS09833 [0,0,0,0,0,0|3,0,1]=4 180 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [0,0,0,0,0,0|3,0,0]=3 181 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [0,0,0,0,0,0|3,0,1]=4 182 B9R1.1 c1cc(ncc1F)C=O TS60090 [0,0,0,0,0,0|3,0,0]=3 183 B9R1.1 c1cc(ncc1F)CO TS88541 [0,0,0,0,0,0|3,0,1]=4 184 B9R1.1 c1cc(ncc1N)C#N TS65869 [0,0,0,0,0,0|3,0,1]=4 185 B9R1.1 c1cc(ncc1N)CN TS32573 [0,0,0,0,0,0|3,0,1]=4 186 B9R1.1 c1cc(ncc1O)C#N TS55294 [0,0,0,0,0,0|2,0,1]=3 187 B9R1.1 c1cc(ncc1O)C=O TS03343 [0,0,0,0,0,0|2,0,0]=2 188 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [0,0,0,0,0,0|4,0,0]=4 189 B9R1.1 c1cn(=O)ccc1C#N TS32414 [0,0,0,0,0,0|2,0,2]=4 190 B9R1.1 c1cn(=O)ccc1C=O TS32549 [0,0,0,0,0,0|2,0,1]=3 191 B9R1.1 c1cn(=O)ccc1CO TS59701 [0,0,0,0,0,0|2,0,2]=4 192 B8R1.2 C#Cc1ccccc1 TS39865 [1,0,0,0,0,0|0,0,2]=3 193 B8R1.2 C#Cc1ccccn1 TS55319 [1,0,0,0,0,0|1,0,2]=4 194 B8R1.2 C#Cc1cccnc1 TS16364 [1,0,0,0,0,0|1,0,2]=4 195 B8R1.2 C#Cc1ccncc1 TS71113 [1,0,0,0,0,0|1,0,2]=4 196 B8R1.2 C#Cc1ccncc1 TS90305 [1,0,0,0,0,0|1,0,2]=4 197 B8R1.2 C=Cc1ccccc1 TS04045 [1,0,0,0,0,0|0,0,0]=1 198 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,0|1,0,0]=2 199 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,0|1,0,0]=2 200 B8R1.2 C=Cc1ccncc1 TS33177 [1,0,0,0,0,0|1,0,0]=2 201 B8R1.2 C=Cc1cnccn1 TS04089 [1,0,0,0,0,0|2,0,0]=3 202 B8R1.2 CC[n+]1ccccc1 TS40125 [1,0,0,0,0,0|1,0,2]=4 203 B8R1.2 CC[n+]1ccccc1 TS50650 [1,0,0,0,0,0|1,0,2]=4 204 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,0|0,0,2]=3 205 B8R1.2 CCc1ccccn1 TS55316 [1,0,0,0,0,0|1,0,2]=4 206 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,0|1,0,2]=4 207 B8R1.2 CCc1ccncc1 TS04110 [1,0,0,0,0,0|1,0,2]=4 208 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,0|1,0,1]=3 209 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,0|1,0,1]=3 210 B8R1.2 CNc1ccccn1 TS22814 [1,0,0,0,0,0|2,0,1]=4 211 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,0|2,0,1]=4 212 B8R1.2 CNc1ccncc1 TS16891 [1,0,0,0,0,0|2,0,1]=4 213 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,0|1,0,1]=3 214 B8R1.2 COc1ccncc1 TS03163 [1,0,0,0,0,0|2,0,1]=4 215 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,0|1,0,1]=3 216 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,0|1,0,1]=3 217 B8R1.2 CSc1ccccn1 TS05101 [1,0,0,0,0,0|2,0,1]=4 218 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,0|2,0,1]=4 219 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,0|1,0,1]=3 220 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,0|0,1,1]=3 221 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,0,0,0,0,0|1,0,1]=3 222 B8R1.2 c1c(cncn1)C=O TS01668 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.2 c1cc(cnc1)C#N TS02037 [1,0,0,0,0,0|2,0,1]=4 224 B8R1.2 c1cc(cnc1)CBr TS09437 [1,0,0,0,0,0|2,0,1]=4 225 B8R1.2 c1cc(cnc1)CCl TS00113 [1,0,0,0,0,0|2,0,1]=4 226 B8R1.2 c1cc(cnc1)CCl TS02031 [1,0,0,0,0,0|2,0,1]=4 227 B8R1.2 c1cc(cnc1)CI TS49544 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.2 c1cc(cnc1)CI TS64566 [1,0,0,0,0,0|2,0,1]=4 229 B8R1.2 c1cc(cnc1)CN TS02883 [1,0,0,0,0,0|2,0,1]=4 230 B8R1.2 c1cc(cnc1)CO TS92960 [1,0,0,0,0,0|2,0,1]=4 231 B8R1.2 c1cc(cnc1)CO TS93835 [1,0,0,0,0,0|2,0,1]=4 232 B8R1.2 c1cc(cnc1)NN TS87727 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.2 c1cc(nnc1)C=O TS59366 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.2 c1ccc(cc1)C#N TS01882 [1,0,0,0,0,0|1,0,1]=3 235 B8R1.2 c1ccc(cc1)C#N TS80489 [1,0,0,0,0,0|1,0,1]=3 236 B8R1.2 c1ccc(cc1)C=O TS43757 [1,0,0,0,0,0|1,0,0]=2 237 B8R1.2 c1ccc(cc1)CCl TS36191 [1,0,0,0,0,0|1,0,1]=3 238 B8R1.2 c1ccc(cc1)CF TS31826 [1,0,0,0,0,0|1,0,1]=3 239 B8R1.2 c1ccc(cc1)CI TS09176 [1,0,0,0,0,0|1,0,1]=3 240 B8R1.2 c1ccc(cc1)CN TS01379 [1,0,0,0,0,0|1,0,1]=3 241 B8R1.2 c1ccc(cc1)CN TS40124 [1,0,0,0,0,0|1,0,1]=3 242 B8R1.2 c1ccc(cc1)CO TS31769 [1,0,0,0,0,0|1,0,1]=3 243 B8R1.2 c1ccc(cc1)CS TS36023 [1,0,0,0,0,0|1,0,1]=3 244 B8R1.2 c1ccc(cc1)I=O TS49692 [1,0,0,0,0,0|2,0,0]=3 245 B8R1.2 c1ccc(cc1)N=O TS31751 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.2 c1ccc(cc1)NN TS07047 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.2 c1ccc(cc1)NN TS31771 [1,0,0,0,0,0|2,0,0]=3 248 B8R1.2 c1ccc(cc1)NN TS61145 [1,0,0,0,0,0|2,0,0]=3 249 B8R1.2 c1ccc(cc1)NN TS76102 [1,0,0,0,0,0|2,0,0]=3 250 B8R1.2 c1ccc(cc1)NO TS31793 [1,0,0,0,0,0|2,0,0]=3 251 B8R1.2 c1ccc(cc1)NO TS37696 [1,0,0,0,0,0|2,0,0]=3 252 B8R1.2 c1ccc(cc1)ON TS07146 [1,0,0,0,0,0|2,0,0]=3 253 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,0,0,0,0,0|2,0,0]=3 254 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,0,0,0,0,0|2,0,0]=3 255 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,0,0,0,0,0|2,0,0]=3 256 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,0,0,0,0,0|2,0,0]=3 257 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,0,0,0,0,0|2,0,0]=3 258 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,0,0,0,0,0|2,0,0]=3 259 B8R1.2 c1ccnc(c1)C#N TS59347 [1,0,0,0,0,0|2,0,1]=4 260 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,0|2,0,0]=3 261 B8R1.2 c1ccnc(c1)CBr TS47083 [1,0,0,0,0,0|2,0,1]=4 262 B8R1.2 c1ccnc(c1)CCl TS47089 [1,0,0,0,0,0|2,0,1]=4 263 B8R1.2 c1ccnc(c1)CCl TS47090 [1,0,0,0,0,0|2,0,1]=4 264 B8R1.2 c1ccnc(c1)CN TS00811 [1,0,0,0,0,0|2,0,1]=4 265 B8R1.2 c1ccnc(c1)CO TS07144 [1,0,0,0,0,0|2,0,1]=4 266 B8R1.2 c1ccnc(c1)CO TS31798 [1,0,0,0,0,0|2,0,1]=4 267 B8R1.2 c1ccnc(c1)CS TS05100 [1,0,0,0,0,0|2,0,1]=4 268 B8R1.2 c1ccnc(c1)NN TS14875 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.2 c1ccnc(c1)NN TS55380 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.2 c1cnc(cn1)C=O TS31759 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.2 c1cnc(nc1)C=O TS02479 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.2 c1cnccc1C#N TS03069 [1,0,0,0,0,0|2,0,1]=4 273 B8R1.2 c1cnccc1C=O TS59369 [1,0,0,0,0,0|2,0,0]=3 274 B8R1.2 c1cnccc1CBr TS39318 [1,0,0,0,0,0|2,0,1]=4 275 B8R1.2 c1cnccc1CCl TS16903 [1,0,0,0,0,0|2,0,1]=4 276 B8R1.2 c1cnccc1CN TS31773 [1,0,0,0,0,0|2,0,1]=4 277 B8R1.2 c1cnccc1CO TS07149 [1,0,0,0,0,0|2,0,1]=4 278 B8R1.2 c1cnccc1CO TS71297 [1,0,0,0,0,0|2,0,1]=4 279 B8R1.2 c1cnccc1NN TS89841 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.2 c1cncnc1C=O TS01666 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.2 c1cnncc1C=O TS87334 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [1,0,0,0,0,0|1,0,1]=3 283 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [1,0,0,0,0,0|1,0,1]=3 284 B8R1.3 Cc1cc[n+](cc1)C TS25680 [1,0,0,0,0,0|2,0,1]=4 285 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [1,0,0,0,0,0|1,0,2]=4 286 B8R1.3 Cc1ccc(cc1)Br TS09620 [1,0,0,0,0,0|1,0,1]=3 287 B8R1.3 Cc1ccc(cc1)C TS04096 [1,0,0,0,0,0|1,0,1]=3 288 B8R1.3 Cc1ccc(cc1)C TS77016 [1,0,0,0,0,0|1,0,1]=3 289 B8R1.3 Cc1ccc(cc1)Cl TS39593 [1,0,0,0,0,0|1,0,1]=3 290 B8R1.3 Cc1ccc(cc1)F TS31829 [1,0,0,0,0,0|1,0,1]=3 291 B8R1.3 Cc1ccc(cc1)I TS07804 [1,0,0,0,0,0|1,0,1]=3 292 B8R1.3 Cc1ccc(cc1)I TS67797 [1,0,0,0,0,0|1,0,1]=3 293 B8R1.3 Cc1ccc(cc1)N TS04112 [1,0,0,0,0,0|1,0,1]=3 294 B8R1.3 Cc1ccc(cc1)N TS40127 [1,0,0,0,0,0|1,0,1]=3 295 B8R1.3 Cc1ccc(cc1)O TS05157 [1,0,0,0,0,0|0,0,1]=2 296 B8R1.3 Cc1ccc(cc1)O TS94395 [1,0,0,0,0,0|0,0,1]=2 297 B8R1.3 Cc1ccc(cc1)P TS32593 [1,0,0,0,0,0|1,0,1]=3 298 B8R1.3 Cc1ccc(cc1)S TS39763 [1,0,0,0,0,0|0,1,1]=3 299 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [1,0,0,0,0,0|1,0,1]=3 300 B8R1.3 Cc1ccc(cn1)Br TS09799 [1,0,0,0,0,0|2,0,1]=4 301 B8R1.3 Cc1ccc(cn1)Cl TS71507 [1,0,0,0,0,0|2,0,1]=4 302 B8R1.3 Cc1ccc(cn1)F TS03302 [1,0,0,0,0,0|2,0,1]=4 303 B8R1.3 Cc1ccc(cn1)I TS71574 [1,0,0,0,0,0|2,0,1]=4 304 B8R1.3 Cc1ccc(cn1)N TS65872 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.3 Cc1ccc(cn1)O TS71569 [1,0,0,0,0,0|1,0,1]=3 306 B8R1.3 Cc1ccc(nc1)Br TS55127 [1,0,0,0,0,0|2,0,1]=4 307 B8R1.3 Cc1ccc(nc1)C TS47280 [1,0,0,0,0,0|2,0,1]=4 308 B8R1.3 Cc1ccc(nc1)Cl TS00914 [1,0,0,0,0,0|2,0,1]=4 309 B8R1.3 Cc1ccc(nc1)F TS01010 [1,0,0,0,0,0|2,0,1]=4 310 B8R1.3 Cc1ccc(nc1)N TS07049 [1,0,0,0,0,0|2,0,1]=4 311 B8R1.3 Cc1ccc(nc1)N TS47444 [1,0,0,0,0,0|2,0,1]=4 312 B8R1.3 Cc1ccc(nc1)O TS01053 [1,0,0,0,0,0|1,0,1]=3 313 B8R1.3 Cc1ccc(nc1)S TS05105 [1,0,0,0,0,0|1,1,1]=4 314 B8R1.3 Cc1ccn(=O)cc1 TS09774 [1,0,0,0,0,0|1,0,2]=4 315 B8R1.3 Cc1ncc(cn1)O TS02449 [1,0,0,0,0,0|2,0,1]=4 316 B8R1.3 c1c(cnc(n1)Br)O TS90862 [1,0,0,0,0,0|3,0,0]=4 317 B8R1.3 c1c(cnc(n1)Cl)O TS55250 [1,0,0,0,0,0|3,0,0]=4 318 B8R1.3 c1c(cnc(n1)N)O TS00791 [1,0,0,0,0,0|3,0,0]=4 319 B8R1.3 c1c(cnc(n1)O)Br TS09782 [1,0,0,0,0,0|3,0,0]=4 320 B8R1.3 c1c(cnc(n1)O)Br TS94911 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.3 c1c(cnc(n1)O)Cl TS71497 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.3 c1c(ncc(n1)Br)O TS08345 [1,0,0,0,0,0|3,0,0]=4 323 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.3 c1c[n+](ccc1F)[O-] TS87895 [1,0,0,0,0,0|2,0,1]=4 325 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [1,0,0,0,0,0|2,0,0]=3 326 B8R1.3 c1cc(=S)[nH]cc1N TS36143 [1,0,0,0,0,0|2,1,0]=4 327 B8R1.3 c1cc(ccc1Br)Br TS07885 [1,0,0,0,0,0|2,0,0]=3 328 B8R1.3 c1cc(ccc1Br)I TS00413 [1,0,0,0,0,0|2,0,0]=3 329 B8R1.3 c1cc(ccc1Cl)Br TS09601 [1,0,0,0,0,0|2,0,0]=3 330 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [1,0,0,0,0,0|2,0,0]=3 331 B8R1.3 c1cc(ccc1Cl)I TS64993 [1,0,0,0,0,0|2,0,0]=3 332 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [1,0,0,0,0,0|2,0,0]=3 333 B8R1.3 c1cc(ccc1F)Br TS09602 [1,0,0,0,0,0|2,0,0]=3 334 B8R1.3 c1cc(ccc1F)Cl TS09203 [1,0,0,0,0,0|2,0,0]=3 335 B8R1.3 c1cc(ccc1F)F TS59891 [1,0,0,0,0,0|2,0,0]=3 336 B8R1.3 c1cc(ccc1F)I TS39508 [1,0,0,0,0,0|2,0,0]=3 337 B8R1.3 c1cc(ccc1F)S TS05333 [1,0,0,0,0,0|1,1,0]=3 338 B8R1.3 c1cc(ccc1F)S TS12288 [1,0,0,0,0,0|1,1,0]=3 339 B8R1.3 c1cc(ccc1I)I TS46809 [1,0,0,0,0,0|2,0,0]=3 340 B8R1.3 c1cc(ccc1N)Br TS70992 [1,0,0,0,0,0|2,0,0]=3 341 B8R1.3 c1cc(ccc1N)Cl TS42659 [1,0,0,0,0,0|2,0,0]=3 342 B8R1.3 c1cc(ccc1N)Cl TS71059 [1,0,0,0,0,0|2,0,0]=3 343 B8R1.3 c1cc(ccc1N)F TS71137 [1,0,0,0,0,0|2,0,0]=3 344 B8R1.3 c1cc(ccc1N)I TS71193 [1,0,0,0,0,0|2,0,0]=3 345 B8R1.3 c1cc(ccc1N)N TS38978 [1,0,0,0,0,0|2,0,0]=3 346 B8R1.3 c1cc(ccc1N)O TS07145 [1,0,0,0,0,0|1,0,0]=2 347 B8R1.3 c1cc(ccc1N)O TS59709 [1,0,0,0,0,0|1,0,0]=2 348 B8R1.3 c1cc(ccc1N)S TS39734 [1,0,0,0,0,0|1,1,0]=3 349 B8R1.3 c1cc(ccc1O)Cl TS36377 [1,0,0,0,0,0|1,0,0]=2 350 B8R1.3 c1cc(ccc1O)Cl TS40947 [1,0,0,0,0,0|1,0,0]=2 351 B8R1.3 c1cc(ccc1O)F TS33165 [1,0,0,0,0,0|1,0,0]=2 352 B8R1.3 c1cc(ccc1O)I TS59518 [1,0,0,0,0,0|1,0,0]=2 353 B8R1.3 c1cc(ccc1O)O TS01676 [1,0,0,0,0,0|1,0,0]=2 354 B8R1.3 c1cc(ccc1O)O TS02292 [1,0,0,0,0,0|1,0,0]=2 355 B8R1.3 c1cc(ccc1O)O TS24537 [1,0,0,0,0,0|1,0,0]=2 356 B8R1.3 c1cc(ccc1O)S TS36138 [1,0,0,0,0,0|1,0,0]=2 357 B8R1.3 c1cc(ccc1S)Br TS39741 [1,0,0,0,0,0|1,1,0]=3 358 B8R1.3 c1cc(ccc1S)Cl TS07052 [1,0,0,0,0,0|1,1,0]=3 359 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [1,0,0,0,0,0|2,0,0]=3 360 B8R1.3 c1cc(ncc1Br)Br TS25985 [1,0,0,0,0,0|3,0,0]=4 361 B8R1.3 c1cc(ncc1Br)Cl TS71413 [1,0,0,0,0,0|3,0,0]=4 362 B8R1.3 c1cc(ncc1Br)F TS71426 [1,0,0,0,0,0|3,0,0]=4 363 B8R1.3 c1cc(ncc1Br)I TS09786 [1,0,0,0,0,0|3,0,0]=4 364 B8R1.3 c1cc(ncc1Br)N TS47431 [1,0,0,0,0,0|3,0,0]=4 365 B8R1.3 c1cc(ncc1Br)N TS90623 [1,0,0,0,0,0|3,0,0]=4 366 B8R1.3 c1cc(ncc1Br)O TS09781 [1,0,0,0,0,0|2,0,0]=3 367 B8R1.3 c1cc(ncc1Cl)Br TS55123 [1,0,0,0,0,0|3,0,0]=4 368 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [1,0,0,0,0,0|3,0,0]=4 369 B8R1.3 c1cc(ncc1Cl)F TS71487 [1,0,0,0,0,0|3,0,0]=4 370 B8R1.3 c1cc(ncc1Cl)I TS71498 [1,0,0,0,0,0|3,0,0]=4 371 B8R1.3 c1cc(ncc1Cl)N TS00778 [1,0,0,0,0,0|3,0,0]=4 372 B8R1.3 c1cc(ncc1Cl)O TS71496 [1,0,0,0,0,0|2,0,0]=3 373 B8R1.3 c1cc(ncc1F)Br TS08342 [1,0,0,0,0,0|3,0,0]=4 374 B8R1.3 c1cc(ncc1F)Cl TS85452 [1,0,0,0,0,0|3,0,0]=4 375 B8R1.3 c1cc(ncc1F)F TS47260 [1,0,0,0,0,0|3,0,0]=4 376 B8R1.3 c1cc(ncc1F)I TS50245 [1,0,0,0,0,0|3,0,0]=4 377 B8R1.3 c1cc(ncc1F)N TS00788 [1,0,0,0,0,0|3,0,0]=4 378 B8R1.3 c1cc(ncc1F)N TS85448 [1,0,0,0,0,0|3,0,0]=4 379 B8R1.3 c1cc(ncc1F)O TS71538 [1,0,0,0,0,0|2,0,0]=3 380 B8R1.3 c1cc(ncc1I)Br TS08347 [1,0,0,0,0,0|3,0,0]=4 381 B8R1.3 c1cc(ncc1I)Cl TS55251 [1,0,0,0,0,0|3,0,0]=4 382 B8R1.3 c1cc(ncc1I)F TS85441 [1,0,0,0,0,0|3,0,0]=4 383 B8R1.3 c1cc(ncc1I)I TS59927 [1,0,0,0,0,0|3,0,0]=4 384 B8R1.3 c1cc(ncc1I)N TS47435 [1,0,0,0,0,0|3,0,0]=4 385 B8R1.3 c1cc(ncc1I)O TS60294 [1,0,0,0,0,0|2,0,0]=3 386 B8R1.3 c1cc(ncc1N)Br TS65865 [1,0,0,0,0,0|3,0,0]=4 387 B8R1.3 c1cc(ncc1N)Cl TS71356 [1,0,0,0,0,0|3,0,0]=4 388 B8R1.3 c1cc(ncc1N)F TS01234 [1,0,0,0,0,0|3,0,0]=4 389 B8R1.3 c1cc(ncc1N)I TS71363 [1,0,0,0,0,0|3,0,0]=4 390 B8R1.3 c1cc(ncc1N)N TS47239 [1,0,0,0,0,0|3,0,0]=4 391 B8R1.3 c1cc(ncc1N)N TS47240 [1,0,0,0,0,0|3,0,0]=4 392 B8R1.3 c1cc(ncc1N)O TS07283 [1,0,0,0,0,0|2,0,0]=3 393 B8R1.3 c1cc(ncc1N)O TS71362 [1,0,0,0,0,0|2,0,0]=3 394 B8R1.3 c1cc(ncc1O)Br TS08346 [1,0,0,0,0,0|2,0,0]=3 395 B8R1.3 c1cc(ncc1O)Cl TS55249 [1,0,0,0,0,0|2,0,0]=3 396 B8R1.3 c1cc(ncc1O)F TS01000 [1,0,0,0,0,0|2,0,0]=3 397 B8R1.3 c1cc(ncc1O)I TS23214 [1,0,0,0,0,0|2,0,0]=3 398 B8R1.3 c1cc(ncc1O)N TS00790 [1,0,0,0,0,0|2,0,0]=3 399 B8R1.3 c1cc(ncc1O)O TS47263 [1,0,0,0,0,0|2,0,0]=3 400 B8R1.3 c1cc(nnc1O)Cl TS36566 [1,0,0,0,0,0|3,0,0]=4 401 B8R1.3 c1cc(nnc1O)O TS93162 [1,0,0,0,0,0|3,0,0]=4 402 B8R1.3 c1cn(=O)ccc1Cl TS05502 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.1 C=CCc1ccc(cc1)O TS36845 [0,1,0,0,0,0|0,0,0]=1 404 B10R1.1 CCCc1ccc(cc1)Br TS54164 [0,1,0,0,0,0|1,0,2]=4 405 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,1,0,0,0,0|1,0,2]=4 406 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [0,1,0,0,0,0|1,0,2]=4 407 B10R1.1 CCCc1ccc(cc1)F TS07665 [0,1,0,0,0,0|1,0,2]=4 408 B10R1.1 CCCc1ccc(cc1)I TS27402 [0,1,0,0,0,0|1,0,2]=4 409 B10R1.1 CCCc1ccc(cc1)N TS36955 [0,1,0,0,0,0|1,0,2]=4 410 B10R1.1 CCCc1ccc(cc1)O TS06088 [0,1,0,0,0,0|0,0,2]=3 411 B10R1.1 CCNc1ccc(cc1)C TS36952 [0,1,0,0,0,0|1,0,2]=4 412 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [0,1,0,0,0,0|1,0,2]=4 413 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,1,0,0,0,0|1,0,2]=4 414 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,1,0,0,0,0|1,0,2]=4 415 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,1,0,0,0,0|1,0,2]=4 416 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,1,0,0,0,0|1,0,2]=4 417 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,1,0,0,0,0|1,0,2]=4 418 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,1,0,0,0,0|1,0,2]=4 419 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,1,0,0,0,0|1,0,2]=4 420 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,1,0,0,0,0|0,0,2]=3 421 B10R1.1 CCSc1ccc(cc1)Br TS49222 [0,1,0,0,0,0|1,0,2]=4 422 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [0,1,0,0,0,0|1,0,2]=4 423 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [0,1,0,0,0,0|1,0,2]=4 424 B10R1.1 COCc1ccc(cc1)F TS37375 [0,1,0,0,0,0|1,0,2]=4 425 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [0,1,0,0,0,0|1,0,2]=4 426 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [0,1,0,0,0,0|1,0,2]=4 428 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [0,1,0,0,0,0|1,0,0]=2 429 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [0,1,0,0,0,0|1,0,1]=3 430 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,1,0,0,0,0|1,0,2]=4 431 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,1,0,0,0,0|1,0,2]=4 432 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,1,0,0,0,0|1,0,2]=4 433 B10R1.1 Cc1ccc(cc1)CNC TS01603 [0,1,0,0,0,0|1,0,2]=4 434 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [0,1,0,0,0,0|2,0,1]=4 435 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [0,1,0,0,0,0|2,0,1]=4 436 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [0,1,0,0,0,0|1,0,2]=4 439 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [0,1,0,0,0,0|1,0,2]=4 440 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.1 c1cc(ccc1C=NO)F TS37276 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [0,1,0,0,0,0|1,0,2]=4 443 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [0,1,0,0,0,0|1,0,2]=4 444 B10R1.1 c1cc(ccc1CC#N)F TS09126 [0,1,0,0,0,0|1,0,2]=4 445 B10R1.1 c1cc(ccc1CC#N)I TS09719 [0,1,0,0,0,0|1,0,2]=4 446 B10R1.1 c1cc(ccc1CC#N)N TS05748 [0,1,0,0,0,0|1,0,2]=4 447 B10R1.1 c1cc(ccc1CC#N)N TS12627 [0,1,0,0,0,0|1,0,2]=4 448 B10R1.1 c1cc(ccc1CC#N)O TS59576 [0,1,0,0,0,0|0,0,2]=3 449 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [0,1,0,0,0,0|1,0,1]=3 450 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [0,1,0,0,0,0|1,0,1]=3 451 B10R1.1 c1cc(ccc1CC=O)F TS47060 [0,1,0,0,0,0|1,0,1]=3 452 B10R1.1 c1cc(ccc1CC=O)N TS36921 [0,1,0,0,0,0|1,0,1]=3 453 B10R1.1 c1cc(ccc1CC=O)O TS36982 [0,1,0,0,0,0|0,0,1]=2 454 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [0,1,0,0,0,0|1,0,2]=4 455 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [0,1,0,0,0,0|1,0,2]=4 456 B10R1.1 c1cc(ccc1CCBr)F TS38380 [0,1,0,0,0,0|1,0,2]=4 457 B10R1.1 c1cc(ccc1CCBr)O TS38051 [0,1,0,0,0,0|0,0,2]=3 458 B10R1.1 c1cc(ccc1CCCl)F TS11092 [0,1,0,0,0,0|1,0,2]=4 459 B10R1.1 c1cc(ccc1CCN)Br TS34272 [0,1,0,0,0,0|1,0,2]=4 460 B10R1.1 c1cc(ccc1CCN)Br TS71000 [0,1,0,0,0,0|1,0,2]=4 461 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [0,1,0,0,0,0|1,0,2]=4 462 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [0,1,0,0,0,0|1,0,2]=4 463 B10R1.1 c1cc(ccc1CCN)F TS03097 [0,1,0,0,0,0|1,0,2]=4 464 B10R1.1 c1cc(ccc1CCN)F TS13760 [0,1,0,0,0,0|1,0,2]=4 465 B10R1.1 c1cc(ccc1CCN)I TS27555 [0,1,0,0,0,0|1,0,2]=4 466 B10R1.1 c1cc(ccc1CCN)N TS09521 [0,1,0,0,0,0|1,0,2]=4 467 B10R1.1 c1cc(ccc1CCN)N TS37024 [0,1,0,0,0,0|1,0,2]=4 468 B10R1.1 c1cc(ccc1CCN)O TS01822 [0,1,0,0,0,0|0,0,2]=3 469 B10R1.1 c1cc(ccc1CCN)O TS39727 [0,1,0,0,0,0|0,0,2]=3 470 B10R1.1 c1cc(ccc1CCO)Br TS16460 [0,1,0,0,0,0|1,0,2]=4 471 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [0,1,0,0,0,0|1,0,2]=4 472 B10R1.1 c1cc(ccc1CCO)F TS39509 [0,1,0,0,0,0|1,0,2]=4 473 B10R1.1 c1cc(ccc1CCO)N TS39616 [0,1,0,0,0,0|1,0,2]=4 474 B10R1.1 c1cc(ccc1CCO)O TS47066 [0,1,0,0,0,0|0,0,2]=3 475 B10R1.1 c1cc(ccc1CNN)Br TS91149 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [0,1,0,0,0,0|2,0,1]=4 477 B10R1.1 c1cc(ccc1CNN)F TS88239 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.1 c1cc(ccc1CNN)F TS94903 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.1 c1cc(ccc1N)N=[N+]=[N-] TS45244 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [0,1,0,0,0,0|2,0,1]=4 483 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.1 c1cc(ccc1N=C=S)Br TS44460 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.1 c1cc(ccc1N=C=S)Cl TS09684 [0,1,0,0,0,0|2,0,1]=4 488 B10R1.1 c1cc(ccc1N=C=S)F TS03101 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [0,1,0,0,0,0|2,0,0]=3 490 B10R1.1 c1cc(ccc1NC=O)F TS37270 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.1 c1cc(ccc1NC=O)O TS37097 [0,1,0,0,0,0|1,0,0]=2 492 B10R1.3 C#Cc1ccc(cc1)C#C TS05164 [0,1,0,0,0,0|1,0,2]=4 493 B10R1.3 C#Cc1ccc(cc1)C#N TS32967 [0,1,0,0,0,0|1,0,2]=4 494 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.3 C1=CC(=NO)C=CC1=NO TS06241 [0,1,0,0,0,0|2,0,0]=3 496 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [0,1,0,0,0,0|1,0,0]=2 497 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [0,1,0,0,0,0|1,0,0]=2 498 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [0,1,0,0,0,0|0,0,1]=2 499 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [0,1,0,0,0,0|0,0,0]=1 500 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [0,1,0,0,0,0|0,0,0]=1 501 B10R1.3 CCc1ccc(cc1)C#C TS59670 [0,1,0,0,0,0|1,0,2]=4 502 B10R1.3 CCc1ccc(cc1)C#N TS05665 [0,1,0,0,0,0|1,0,2]=4 503 B10R1.3 CCc1ccc(cc1)C=C TS36711 [0,1,0,0,0,0|1,0,0]=2 504 B10R1.3 CCc1ccc(cc1)C=O TS36835 [0,1,0,0,0,0|2,0,0]=3 505 B10R1.3 CCc1ccc(cc1)CC TS05932 [0,1,0,0,0,0|1,0,2]=4 506 B10R1.3 CCc1ccc(cc1)CCl TS07791 [0,1,0,0,0,0|1,0,2]=4 507 B10R1.3 CCc1ccc(cc1)CN TS36956 [0,1,0,0,0,0|1,0,2]=4 508 B10R1.3 CCc1ccc(cc1)CO TS06078 [0,1,0,0,0,0|0,0,2]=3 509 B10R1.3 CCc1ccc(cc1)OC TS06096 [0,1,0,0,0,0|0,0,2]=3 510 B10R1.3 CCc1ccc(nc1)C=C TS65158 [0,1,0,0,0,0|2,0,0]=3 511 B10R1.3 CNc1ccc(cc1)C#N TS07763 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.3 CNc1ccc(cc1)OC TS01939 [0,1,0,0,0,0|1,0,1]=3 513 B10R1.3 COc1ccc(cc1)C#C TS03157 [0,1,0,0,0,0|0,0,2]=3 514 B10R1.3 COc1ccc(cc1)C#N TS07812 [0,1,0,0,0,0|1,0,1]=3 515 B10R1.3 COc1ccc(cc1)C=C TS36841 [0,1,0,0,0,0|0,0,0]=1 516 B10R1.3 COc1ccc(cc1)C=O TS36981 [0,1,0,0,0,0|1,0,0]=2 517 B10R1.3 COc1ccc(cc1)CBr TS03143 [0,1,0,0,0,0|1,0,1]=3 518 B10R1.3 COc1ccc(cc1)CCl TS60060 [0,1,0,0,0,0|1,0,1]=3 519 B10R1.3 COc1ccc(cc1)CN TS03142 [0,1,0,0,0,0|1,0,1]=3 520 B10R1.3 COc1ccc(cc1)CS TS03144 [0,1,0,0,0,0|1,0,1]=3 521 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [0,1,0,0,0,0|1,0,1]=3 522 B10R1.3 COc1ccc(cc1)NN TS45874 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.3 COc1ccc(cc1)OC TS07887 [0,1,0,0,0,0|1,0,1]=3 524 B10R1.3 COc1ccc(cc1)SC TS41410 [0,1,0,0,0,0|1,0,1]=3 525 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [0,1,0,0,0,0|2,0,0]=3 526 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [0,1,0,0,0,0|1,0,1]=3 528 B10R1.3 COc1ccc(cn1)C#C TS88941 [0,1,0,0,0,0|1,0,2]=4 529 B10R1.3 COc1ccc(cn1)C#N TS55433 [0,1,0,0,0,0|2,0,1]=4 530 B10R1.3 COc1ccc(cn1)C=O TS55618 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.3 COc1ccc(cn1)CN TS91541 [0,1,0,0,0,0|2,0,1]=4 532 B10R1.3 COc1ccc(cn1)CO TS87332 [0,1,0,0,0,0|2,0,1]=4 533 B10R1.3 COc1ccc(cn1)NN TS71564 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.3 COc1ccc(nc1)C#N TS91172 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.3 COc1ccc(nc1)C=O TS87371 [0,1,0,0,0,0|2,0,0]=3 536 B10R1.3 COc1ccc(nc1)CCl TS90886 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.3 COc1ccc(nc1)CO TS91157 [0,1,0,0,0,0|2,0,1]=4 538 B10R1.3 COc1ccc(nc1)OC TS94185 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.3 COc1ncc(cn1)C=O TS55436 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.3 CSc1ccc(cc1)C#N TS40765 [0,1,0,0,0,0|1,1,1]=4 541 B10R1.3 CSc1ccc(cc1)C=O TS71245 [0,1,0,0,0,0|1,1,0]=3 542 B10R1.3 CSc1ccc(cc1)CCl TS13280 [0,1,0,0,0,0|1,1,1]=4 543 B10R1.3 CSc1ccc(cc1)CO TS41407 [0,1,0,0,0,0|1,0,1]=3 544 B10R1.3 CSc1ccc(cc1)NN TS46693 [0,1,0,0,0,0|2,0,1]=4 545 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [0,1,0,0,0,0|2,0,1]=4 546 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.3 [C-]#[N+]c1ccc(cc1)[N+]#[C-] TS05319 [0,1,0,0,0,0|2,0,1]=4 548 B10R1.3 c1cc(ccc1C#N)C#N TS05323 [0,1,0,0,0,0|2,0,1]=4 549 B10R1.3 c1cc(ccc1C#N)NN TS03066 [0,1,0,0,0,0|2,0,1]=4 550 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [0,1,0,0,0,0|2,0,0]=3 551 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [0,1,0,0,0,0|1,0,1]=3 552 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [0,1,0,0,0,0|2,0,0]=3 554 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [0,1,0,0,0,0|2,0,1]=4 555 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [0,1,0,0,0,0|2,0,1]=4 556 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [0,1,0,0,0,0|2,0,1]=4 557 B10R1.3 c1cc(ccc1CN)C#N TS03059 [0,1,0,0,0,0|2,0,1]=4 558 B10R1.3 c1cc(ccc1CN)C#N TS16889 [0,1,0,0,0,0|2,0,1]=4 559 B10R1.3 c1cc(ccc1CN)CO TS03000 [0,1,0,0,0,0|1,0,1]=3 560 B10R1.3 c1cc(ccc1CN)CO TS45704 [0,1,0,0,0,0|1,0,1]=3 561 B10R1.3 c1cc(ccc1CO)C#N TS01797 [0,1,0,0,0,0|1,0,1]=3 562 B10R1.3 c1cc(ccc1CO)CBr TS16757 [0,1,0,0,0,0|1,0,1]=3 563 B10R1.3 c1cc(ccc1CO)CO TS06244 [0,1,0,0,0,0|1,0,1]=3 564 B10R1.3 c1cc(ccc1CS)CS TS12899 [0,1,0,0,0,0|1,1,1]=4 565 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [0,1,0,0,0,0|2,0,1]=4 566 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,1,0,0,0,0|3,0,0]=4 568 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,1,0,0,0,0|2,1,0]=4 573 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,1,0,0,0,0|1,0,0]=2 574 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,1,0,0,0,0|1,0,0]=2 575 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,1,0,0,0,0|1,0,1]=3 576 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,1,0,0,0,0|1,0,1]=3 577 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,1,0,0,0,0|1,0,1]=3 578 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,1,0,0,0,0|1,0,1]=3 579 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,1,0,0,0,0|1,0,1]=3 580 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,1,0,0,0,0|2,0,1]=4 581 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,1,0,0,0,0|1,0,1]=3 582 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,0,0|2,0,1]=4 583 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,0,0|2,0,1]=4 584 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,1,0,0,0,0|1,0,2]=4 585 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,1,0,0,0,0|1,0,2]=4 586 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,1,0,0,0,0|1,0,2]=4 587 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,1,0,0,0,0|1,0,2]=4 588 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,1,0,0,0,0|1,0,2]=4 589 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,1,0,0,0,0|0,0,2]=3 590 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,1,0,0,0,0|0,1,2]=4 591 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [0,1,0,0,0,0|1,0,2]=4 592 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,1,0,0,0,0|1,0,2]=4 593 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,1,0,0,0,0|1,0,2]=4 594 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,1,0,0,0,0|1,0,2]=4 595 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,1,0,0,0,0|1,0,2]=4 596 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,1,0,0,0,0|0,0,2]=3 597 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,1,0,0,0,0|2,0,1]=4 598 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,1,0,0,0,0|2,0,1]=4 599 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,1,0,0,0,0|2,0,1]=4 600 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,1,0,0,0,0|2,0,1]=4 601 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,1,0,0,0,0|2,0,1]=4 602 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,1,0,0,0,0|1,1,1]=4 603 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,1,0,0,0,0|2,0,1]=4 604 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,1,0,0,0,0|2,0,1]=4 605 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,1,0,0,0,0|1,0,1]=3 606 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,1,0,0,0,0|1,0,2]=4 607 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,1,0,0,0,0|1,0,2]=4 608 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,1,0,0,0,0|1,0,2]=4 609 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,1,0,0,0,0|1,0,2]=4 610 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,1,0,0,0,0|1,0,2]=4 611 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,1,0,0,0,0|1,0,2]=4 612 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,1,0,0,0,0|1,0,2]=4 613 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,1,0,0,0,0|1,0,2]=4 614 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,1,0,0,0,0|1,0,2]=4 615 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,1,0,0,0,0|1,0,2]=4 616 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,1,0,0,0,0|1,0,2]=4 617 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,1,0,0,0,0|1,0,2]=4 618 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,0,0|1,0,0]=2 620 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,1,0,0,0,0|2,0,0]=3 621 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,0,0|1,0,1]=3 622 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,1,0,0,0,0|2,0,0]=3 623 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,1,0,0,0,0|2,0,0]=3 624 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,1,0,0,0,0|2,0,0]=3 625 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,1,0,0,0,0|2,0,0]=3 626 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,1,0,0,0,0|1,0,2]=4 627 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,1,0,0,0,0|1,0,2]=4 628 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,1,0,0,0,0|1,0,2]=4 629 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,1,0,0,0,0|1,0,2]=4 630 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,1,0,0,0,0|2,0,1]=4 631 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,1,0,0,0,0|2,0,1]=4 632 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,0,0|2,0,1]=4 633 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,1,0,0,0,0|3,0,0]=4 635 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,1,0,0,0,0|3,0,0]=4 636 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,1,0,0,0,0|3,0,0]=4 637 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,1,0,0,0,0|3,0,0]=4 638 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,1,0,0,0,0|3,0,0]=4 639 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,1,0,0,0,0|3,0,0]=4 640 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,1,0,0,0,0|1,0,2]=4 641 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,1,0,0,0,0|1,0,2]=4 642 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,1,0,0,0,0|1,0,2]=4 643 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,1,0,0,0,0|3,0,0]=4 644 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,0,0|2,0,1]=4 645 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,1,0,0,0,0|3,0,0]=4 647 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,1,0,0,0,0|3,0,0]=4 648 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,0,0|2,0,1]=4 649 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,1,0,0,0,0|2,0,1]=4 653 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,1,0,0,0,0|2,0,0]=3 654 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,1,0,0,0,0|2,0,0]=3 655 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,1,0,0,0,0|2,0,0]=3 656 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,1,0,0,0,0|2,0,0]=3 657 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,1,0,0,0,0|2,0,0]=3 658 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,1,0,0,0,0|2,0,0]=3 659 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,1,0,0,0,0|2,0,0]=3 660 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,1,0,0,0,0|2,0,0]=3 661 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,1,0,0,0,0|2,0,0]=3 662 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,1,0,0,0,0|1,0,0]=2 663 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,1,0,0,0,0|2,0,0]=3 664 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,1,0,0,0,0|2,0,0]=3 666 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,1,0,0,0,0|2,0,0]=3 667 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,1,0,0,0,0|2,0,0]=3 668 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,1,0,0,0,0|2,0,0]=3 669 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,1,0,0,0,0|2,0,0]=3 670 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,1,0,0,0,0|2,0,0]=3 671 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,1,0,0,0,0|2,0,0]=3 672 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,1,0,0,0,0|1,0,0]=2 673 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,1,0,0,0,0|2,0,0]=3 674 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,1,0,0,0,0|2,0,0]=3 675 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,1,0,0,0,0|2,0,0]=3 676 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,1,0,0,0,0|2,0,0]=3 677 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,1,0,0,0,0|2,0,0]=3 678 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,1,0,0,0,0|2,0,0]=3 679 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,1,0,0,0,0|1,0,0]=2 680 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,1,0,0,0,0|1,1,0]=3 681 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,1,0,0,0,0|2,0,0]=3 682 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,1,0,0,0,0|2,0,0]=3 683 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,1,0,0,0,0|2,0,0]=3 684 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,1,0,0,0,0|1,0,0]=2 685 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,1,0,0,0,0|1,0,0]=2 686 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,1,0,0,0,0|2,0,0]=3 687 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,1,0,0,0,0|2,0,0]=3 688 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,1,0,0,0,0|2,0,0]=3 689 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,1,0,0,0,0|2,0,0]=3 690 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,1,0,0,0,0|1,0,0]=2 691 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [0,1,0,0,0,0|2,0,1]=4 692 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [0,1,0,0,0,0|2,0,1]=4 693 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [0,1,0,0,0,0|2,0,1]=4 694 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,1,0,0,0,0|3,0,0]=4 695 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,1,0,0,0,0|3,0,0]=4 697 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,1,0,0,0,0|3,0,0]=4 698 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,1,0,0,0,0|3,0,0]=4 699 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,1,0,0,0,0|3,0,0]=4 700 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,1,0,0,0,0|3,0,0]=4 701 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,1,0,0,0,0|3,0,0]=4 702 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,1,0,0,0,0|3,0,0]=4 703 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,1,0,0,0,0|2,0,0]=3 704 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,1,0,0,0,0|2,0,0]=3 705 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,1,0,0,0,0|2,1,0]=4 706 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,1,0,0,0,0|3,0,0]=4 707 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,1,0,0,0,0|3,0,0]=4 708 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,1,0,0,0,0|3,0,0]=4 709 B10R1.13 c1cc(ncc1C(=N)N)F TS92781 [0,1,0,0,0,0|3,0,0]=4 710 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,1,0,0,0,0|3,0,0]=4 711 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,1,0,0,0,0|3,0,0]=4 712 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,1,0,0,0,0|3,0,0]=4 713 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,1,0,0,0,0|3,0,0]=4 714 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,1,0,0,0,0|3,0,0]=4 715 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,1,0,0,0,0|3,0,0]=4 716 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,1,0,0,0,0|3,0,0]=4 717 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,1,0,0,0,0|3,0,0]=4 718 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,1,0,0,0,0|2,0,0]=3 719 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,1,0,0,0,0|2,1,0]=4 720 B10R1.13 c1cc(ncc1Cl)C(=N)N TS87123 [0,1,0,0,0,0|3,0,0]=4 721 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,1,0,0,0,0|3,0,0]=4 722 B10R1.13 c1cc(ncc1F)C(=N)N TS91292 [0,1,0,0,0,0|3,0,0]=4 723 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,1,0,0,0,0|3,0,0]=4 724 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,1,0,0,0,0|3,0,0]=4 725 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,1,0,0,0,0|3,0,0]=4 726 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,1,0,0,0,0|3,0,0]=4 727 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,1,0,0,0,0|2,0,0]=3 728 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [0,1,0,0,0,0|3,0,0]=4 729 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [0,1,0,0,0,0|3,0,0]=4 730 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,1,0,0,0,0|3,0,0]=4 731 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,1,0,0,0,0|2,0,1]=4 732 B10R1.25 C#Cc1ccc(cc1F)Br TS18764 [0,1,0,0,0,0|1,0,2]=4 733 B10R1.25 C=Cc1c[nH]c(=O)[nH]c1=O TS06239 [0,1,0,0,0,0|2,0,1]=4 734 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [0,1,0,0,0,0|1,0,0]=2 735 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,1,0,0,0,0|1,0,2]=4 736 B10R1.25 CCc1ccc(cc1O)O TS06247 [0,1,0,0,0,0|0,0,2]=3 737 B10R1.25 CNc1ccc(cc1F)F TS40063 [0,1,0,0,0,0|2,0,1]=4 738 B10R1.25 COc1ccc(cc1Br)Br TS73450 [0,1,0,0,0,0|2,0,1]=4 739 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [0,1,0,0,0,0|2,0,1]=4 740 B10R1.25 COc1ccc(cc1Br)F TS55106 [0,1,0,0,0,0|2,0,1]=4 741 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [0,1,0,0,0,0|2,0,1]=4 742 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [0,1,0,0,0,0|2,0,1]=4 743 B10R1.25 COc1ccc(cc1Cl)F TS09271 [0,1,0,0,0,0|2,0,1]=4 744 B10R1.25 COc1ccc(cc1Cl)N TS10908 [0,1,0,0,0,0|2,0,1]=4 745 B10R1.25 COc1ccc(cc1F)Br TS60384 [0,1,0,0,0,0|2,0,1]=4 746 B10R1.25 COc1ccc(cc1F)Cl TS39482 [0,1,0,0,0,0|2,0,1]=4 747 B10R1.25 COc1ccc(cc1F)F TS09234 [0,1,0,0,0,0|2,0,1]=4 748 B10R1.25 COc1ccc(cc1F)N TS02745 [0,1,0,0,0,0|2,0,1]=4 749 B10R1.25 COc1ccc(cc1F)O TS02753 [0,1,0,0,0,0|1,0,1]=3 750 B10R1.25 COc1ccc(cc1F)S TS10975 [0,1,0,0,0,0|1,1,1]=4 751 B10R1.25 COc1ccc(cc1I)Cl TS39489 [0,1,0,0,0,0|2,0,1]=4 752 B10R1.25 COc1ccc(cc1I)N TS39440 [0,1,0,0,0,0|2,0,1]=4 753 B10R1.25 COc1ccc(cc1I)N TS54863 [0,1,0,0,0,0|2,0,1]=4 754 B10R1.25 COc1ccc(cc1N)Br TS38194 [0,1,0,0,0,0|2,0,1]=4 755 B10R1.25 COc1ccc(cc1N)Cl TS03051 [0,1,0,0,0,0|2,0,1]=4 756 B10R1.25 COc1ccc(cc1N)Cl TS10909 [0,1,0,0,0,0|2,0,1]=4 757 B10R1.25 COc1ccc(cc1N)Cl TS17765 [0,1,0,0,0,0|2,0,1]=4 758 B10R1.25 COc1ccc(cc1N)F TS07833 [0,1,0,0,0,0|2,0,1]=4 759 B10R1.25 COc1ccc(cc1N)I TS65363 [0,1,0,0,0,0|2,0,1]=4 760 B10R1.25 COc1ccc(cc1N)N TS37199 [0,1,0,0,0,0|2,0,1]=4 761 B10R1.25 COc1ccc(cc1N)N TS43949 [0,1,0,0,0,0|2,0,1]=4 762 B10R1.25 COc1ccc(cc1N)N TS56780 [0,1,0,0,0,0|2,0,1]=4 763 B10R1.25 COc1ccc(cc1O)Br TS85281 [0,1,0,0,0,0|2,0,1]=4 764 B10R1.25 COc1ccc(cc1O)F TS07835 [0,1,0,0,0,0|2,0,1]=4 765 B10R1.25 COc1ccc(cc1O)N TS37282 [0,1,0,0,0,0|2,0,1]=4 766 B10R1.25 COc1ccc(cc1O)O TS06433 [0,1,0,0,0,0|1,0,1]=3 767 B10R1.25 COc1ccc(cc1S)F TS10974 [0,1,0,0,0,0|2,0,1]=4 768 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,1,0,0,0,0|2,0,1]=4 769 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [0,1,0,0,0,0|3,0,0]=4 770 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [0,1,0,0,0,0|3,0,0]=4 771 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [0,1,0,0,0,0|2,0,1]=4 772 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [0,1,0,0,0,0|2,0,1]=4 773 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [0,1,0,0,0,0|2,0,1]=4 774 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,1,0,0,0,0|2,0,0]=3 775 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,1,0,0,0,0|2,0,0]=3 776 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,1,0,0,0,0|1,0,0]=2 777 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [0,1,0,0,0,0|2,0,1]=4 778 B10R1.25 Cc1cc(ccc1CN)F TS37292 [0,1,0,0,0,0|2,0,1]=4 779 B10R1.25 Cc1cc(ccc1CO)F TS06460 [0,1,0,0,0,0|2,0,1]=4 780 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [0,1,0,0,0,0|3,0,0]=4 781 B10R1.25 Cc1cc(ccc1NN)F TS37376 [0,1,0,0,0,0|3,0,0]=4 782 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,1,0,0,0,0|2,0,1]=4 783 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,1,0,0,0,0|2,0,1]=4 784 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,1,0,0,0,0|2,0,1]=4 785 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,1,0,0,0,0|2,0,1]=4 786 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,1,0,0,0,0|2,0,1]=4 787 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,1,0,0,0,0|1,0,1]=3 788 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [0,1,0,0,0,0|3,0,0]=4 789 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [0,1,0,0,0,0|2,0,1]=4 790 B10R1.25 Cc1cc(cnc1C#N)O TS08755 [0,1,0,0,0,0|2,0,1]=4 791 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [0,1,0,0,0,0|3,0,0]=4 792 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [0,1,0,0,0,0|3,0,0]=4 793 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [0,1,0,0,0,0|2,0,1]=4 794 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,1,0,0,0,0|2,0,0]=3 795 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,1,0,0,0,0|2,0,1]=4 796 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [0,1,0,0,0,0|2,0,1]=4 797 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [0,1,0,0,0,0|2,0,1]=4 798 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,1,0,0,0,0|1,0,0]=2 799 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,1,0,0,0,0|2,0,0]=3 800 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [0,1,0,0,0,0|2,0,1]=4 801 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [0,1,0,0,0,0|2,0,1]=4 802 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [0,1,0,0,0,0|2,0,1]=4 803 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [0,1,0,0,0,0|2,0,1]=4 804 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [0,1,0,0,0,0|3,0,0]=4 805 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,1,0,0,0,0|2,0,1]=4 806 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [0,1,0,0,0,0|2,0,1]=4 807 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [0,1,0,0,0,0|3,0,0]=4 808 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,1,0,0,0,0|2,0,1]=4 809 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [0,1,0,0,0,0|2,0,1]=4 810 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,1,0,0,0,0|2,0,0]=3 811 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [0,1,0,0,0,0|3,0,0]=4 812 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,1,0,0,0,0|2,0,1]=4 813 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,1,0,0,0,0|2,0,1]=4 814 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [0,1,0,0,0,0|2,0,1]=4 815 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,1,0,0,0,0|2,0,1]=4 816 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [0,1,0,0,0,0|2,0,1]=4 817 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,1,0,0,0,0|2,0,0]=3 818 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,1,0,0,0,0|2,0,1]=4 819 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,1,0,0,0,0|3,0,0]=4 820 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [0,1,0,0,0,0|3,0,0]=4 821 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [0,1,0,0,0,0|3,0,0]=4 822 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Br TS49173 [0,1,0,0,0,0|2,0,1]=4 823 B10R1.25 [C-]#[N+]c1ccc(cc1F)Br TS18922 [0,1,0,0,0,0|2,0,1]=4 824 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [0,1,0,0,0,0|3,0,0]=4 825 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [0,1,0,0,0,0|3,0,0]=4 826 B10R1.25 c1cc(c(cc1Br)Cl)C#N TS60048 [0,1,0,0,0,0|2,0,1]=4 827 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [0,1,0,0,0,0|2,0,0]=3 828 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [0,1,0,0,0,0|2,0,0]=3 829 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [0,1,0,0,0,0|2,0,1]=4 830 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [0,1,0,0,0,0|2,0,1]=4 831 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [0,1,0,0,0,0|2,0,1]=4 832 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [0,1,0,0,0,0|2,0,1]=4 833 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [0,1,0,0,0,0|2,0,1]=4 834 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [0,1,0,0,0,0|2,0,1]=4 835 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [0,1,0,0,0,0|2,0,0]=3 836 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [0,1,0,0,0,0|2,0,1]=4 837 B10R1.25 c1cc(c(cc1Cl)Br)C#N TS49172 [0,1,0,0,0,0|2,0,1]=4 838 B10R1.25 c1cc(c(cc1Cl)Cl)C#N TS13096 [0,1,0,0,0,0|2,0,1]=4 839 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [0,1,0,0,0,0|2,0,0]=3 840 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [0,1,0,0,0,0|2,0,1]=4 841 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [0,1,0,0,0,0|2,0,1]=4 842 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [0,1,0,0,0,0|2,0,1]=4 843 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [0,1,0,0,0,0|2,0,1]=4 844 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS45715 [0,1,0,0,0,0|3,0,0]=4 845 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS68438 [0,1,0,0,0,0|3,0,0]=4 846 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [0,1,0,0,0,0|2,0,0]=3 847 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [0,1,0,0,0,0|2,0,1]=4 848 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [0,1,0,0,0,0|2,0,1]=4 849 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [0,1,0,0,0,0|2,0,1]=4 850 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [0,1,0,0,0,0|2,0,1]=4 851 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [0,1,0,0,0,0|2,0,1]=4 852 B10R1.25 c1cc(c(cc1Cl)F)NN TS39487 [0,1,0,0,0,0|3,0,0]=4 853 B10R1.25 c1cc(c(cc1Cl)F)NN TS42240 [0,1,0,0,0,0|3,0,0]=4 854 B10R1.25 c1cc(c(cc1Cl)N)C#N TS41211 [0,1,0,0,0,0|2,0,1]=4 855 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [0,1,0,0,0,0|2,0,0]=3 856 B10R1.25 c1cc(c(cc1F)Br)C#N TS08317 [0,1,0,0,0,0|2,0,1]=4 857 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [0,1,0,0,0,0|2,0,0]=3 858 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [0,1,0,0,0,0|2,0,1]=4 859 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [0,1,0,0,0,0|2,0,1]=4 860 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [0,1,0,0,0,0|2,0,1]=4 861 B10R1.25 c1cc(c(cc1F)Cl)C#N TS85439 [0,1,0,0,0,0|2,0,1]=4 862 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [0,1,0,0,0,0|2,0,0]=3 863 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [0,1,0,0,0,0|2,0,1]=4 864 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [0,1,0,0,0,0|2,0,1]=4 865 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [0,1,0,0,0,0|2,0,1]=4 866 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [0,1,0,0,0,0|2,0,1]=4 867 B10R1.25 c1cc(c(cc1F)Cl)NN TS18403 [0,1,0,0,0,0|3,0,0]=4 868 B10R1.25 c1cc(c(cc1F)F)C#N TS00631 [0,1,0,0,0,0|2,0,1]=4 869 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [0,1,0,0,0,0|2,0,0]=3 870 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [0,1,0,0,0,0|2,0,1]=4 871 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [0,1,0,0,0,0|2,0,1]=4 872 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [0,1,0,0,0,0|2,0,1]=4 873 B10R1.25 c1cc(c(cc1F)F)NN TS47218 [0,1,0,0,0,0|3,0,0]=4 874 B10R1.25 c1cc(c(cc1F)F)NN TS47219 [0,1,0,0,0,0|3,0,0]=4 875 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [0,1,0,0,0,0|2,0,1]=4 876 B10R1.25 c1cc(c(cc1F)N)C#N TS00752 [0,1,0,0,0,0|2,0,1]=4 877 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [0,1,0,0,0,0|2,0,1]=4 878 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [0,1,0,0,0,0|2,0,1]=4 879 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [0,1,0,0,0,0|2,0,0]=3 880 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [0,1,0,0,0,0|2,0,0]=3 881 B10R1.25 c1cc(c(cc1I)F)C#N TS09295 [0,1,0,0,0,0|2,0,1]=4 882 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [0,1,0,0,0,0|2,0,0]=3 883 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [0,1,0,0,0,0|2,0,1]=4 884 B10R1.25 c1cc(c(cc1N)F)C#N TS71089 [0,1,0,0,0,0|2,0,1]=4 885 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [0,1,0,0,0,0|1,0,1]=3 886 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [0,1,0,0,0,0|1,0,0]=2 887 B10R1.25 c1cc(c(cc1O)F)C#N TS09292 [0,1,0,0,0,0|1,0,1]=3 888 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [0,1,0,0,0,0|1,0,0]=2 889 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [0,1,0,0,0,0|1,0,1]=3 890 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [0,1,0,0,0,0|1,0,0]=2 891 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [0,1,0,0,0,0|1,0,1]=3 892 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [0,1,0,0,0,0|2,0,0]=3 893 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [0,1,0,0,0,0|3,0,0]=4 894 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [0,1,0,0,0,0|3,0,0]=4 895 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [0,1,0,0,0,0|3,0,0]=4 896 B10R1.176 C#Cc1ccc(c(c1)Cl)Cl TS46781 [0,1,0,0,0,0|1,0,2]=4 897 B10R1.176 C#Cc1ccc(c(c1)F)F TS06225 [0,1,0,0,0,0|1,0,2]=4 898 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [0,1,0,0,0,0|1,0,0]=2 899 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [0,1,0,0,0,0|1,0,0]=2 900 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [0,1,0,0,0,0|1,0,2]=4 901 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [0,1,0,0,0,0|1,0,2]=4 902 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [0,1,0,0,0,0|1,0,2]=4 903 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [0,1,0,0,0,0|0,0,2]=3 904 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [0,1,0,0,0,0|2,0,1]=4 905 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [0,1,0,0,0,0|2,0,1]=4 906 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [0,1,0,0,0,0|2,0,1]=4 907 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [0,1,0,0,0,0|2,0,1]=4 908 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [0,1,0,0,0,0|2,0,1]=4 909 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [0,1,0,0,0,0|2,0,1]=4 910 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [0,1,0,0,0,0|1,0,1]=3 911 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [0,1,0,0,0,0|2,0,1]=4 912 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [0,1,0,0,0,0|2,0,1]=4 913 B10R1.176 COc1ccc(c(c1)F)F TS60319 [0,1,0,0,0,0|2,0,1]=4 914 B10R1.176 COc1ccc(c(c1)F)N TS55333 [0,1,0,0,0,0|2,0,1]=4 915 B10R1.176 COc1ccc(c(c1)F)O TS55337 [0,1,0,0,0,0|1,0,1]=3 916 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [0,1,0,0,0,0|2,0,1]=4 917 B10R1.176 COc1ccc(c(c1)I)N TS60298 [0,1,0,0,0,0|2,0,1]=4 918 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [0,1,0,0,0,0|2,0,1]=4 919 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [0,1,0,0,0,0|2,0,1]=4 920 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [0,1,0,0,0,0|2,0,1]=4 921 B10R1.176 COc1ccc(c(c1)N)F TS09302 [0,1,0,0,0,0|2,0,1]=4 922 B10R1.176 COc1ccc(c(c1)N)N TS94383 [0,1,0,0,0,0|2,0,1]=4 923 B10R1.176 COc1ccc(c(c1)N)O TS08806 [0,1,0,0,0,0|1,0,1]=3 924 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [0,1,0,0,0,0|2,0,1]=4 925 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [0,1,0,0,0,0|2,0,1]=4 926 B10R1.176 COc1ccc(c(c1)O)N TS13758 [0,1,0,0,0,0|2,0,1]=4 927 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [0,1,0,0,0,0|2,0,1]=4 928 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [0,1,0,0,0,0|3,0,0]=4 929 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [0,1,0,0,0,0|2,0,1]=4 930 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [0,1,0,0,0,0|3,0,0]=4 931 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [0,1,0,0,0,0|2,0,1]=4 932 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [0,1,0,0,0,0|2,0,1]=4 933 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [0,1,0,0,0,0|2,0,0]=3 934 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [0,1,0,0,0,0|3,0,0]=4 935 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [0,1,0,0,0,0|2,0,1]=4 936 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [0,1,0,0,0,0|1,0,2]=4 937 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [0,1,0,0,0,0|2,0,1]=4 938 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [0,1,0,0,0,0|2,0,0]=3 939 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [0,1,0,0,0,0|2,0,1]=4 940 B10R1.176 Cc1cc(ccc1F)CN TS39504 [0,1,0,0,0,0|2,0,1]=4 941 B10R1.176 Cc1cc(ccc1F)CO TS37371 [0,1,0,0,0,0|2,0,1]=4 942 B10R1.176 Cc1cc(ccc1F)OC TS60402 [0,1,0,0,0,0|2,0,1]=4 943 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [0,1,0,0,0,0|2,0,1]=4 944 B10R1.176 Cc1cc(ccc1N)OC TS71202 [0,1,0,0,0,0|2,0,1]=4 945 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [0,1,0,0,0,0|3,0,0]=4 946 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [0,1,0,0,0,0|3,0,0]=4 947 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [0,1,0,0,0,0|3,0,0]=4 948 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [0,1,0,0,0,0|2,0,1]=4 949 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [0,1,0,0,0,0|2,0,1]=4 950 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [0,1,0,0,0,0|2,0,0]=3 951 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [0,1,0,0,0,0|2,0,1]=4 952 B10R1.176 Cc1ccc(cc1C)CN TS65456 [0,1,0,0,0,0|2,0,1]=4 953 B10R1.176 Cc1ccc(cc1C)CO TS65455 [0,1,0,0,0,0|2,0,1]=4 954 B10R1.176 Cc1ccc(cc1C)NN TS13274 [0,1,0,0,0,0|3,0,0]=4 955 B10R1.176 Cc1ccc(cc1C)OC TS06079 [0,1,0,0,0,0|2,0,1]=4 956 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [0,1,0,0,0,0|2,0,1]=4 957 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [0,1,0,0,0,0|2,0,0]=3 958 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [0,1,0,0,0,0|2,0,1]=4 959 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [0,1,0,0,0,0|2,0,1]=4 960 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [0,1,0,0,0,0|2,0,1]=4 961 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [0,1,0,0,0,0|3,0,0]=4 962 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [0,1,0,0,0,0|2,0,1]=4 963 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [0,1,0,0,0,0|2,0,1]=4 964 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [0,1,0,0,0,0|2,0,1]=4 965 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [0,1,0,0,0,0|2,0,1]=4 966 B10R1.176 Cc1ccc(cc1F)CN TS65517 [0,1,0,0,0,0|2,0,1]=4 967 B10R1.176 Cc1ccc(cc1F)CO TS06453 [0,1,0,0,0,0|2,0,1]=4 968 B10R1.176 Cc1ccc(cc1F)NN TS65519 [0,1,0,0,0,0|3,0,0]=4 969 B10R1.176 Cc1ccc(cc1F)OC TS65516 [0,1,0,0,0,0|2,0,1]=4 970 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [0,1,0,0,0,0|2,0,1]=4 971 B10R1.176 Cc1ccc(cc1N)OC TS39535 [0,1,0,0,0,0|2,0,1]=4 972 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [0,1,0,0,0,0|2,0,0]=3 973 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [0,1,0,0,0,0|3,0,0]=4 974 B10R1.176 [C-]#[N+]c1ccc(c(c1)Cl)Cl TS13097 [0,1,0,0,0,0|2,0,1]=4 975 B10R1.176 c1c(cnc(c1Br)O)C#N TS85257 [0,1,0,0,0,0|2,0,1]=4 976 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [0,1,0,0,0,0|3,0,0]=4 977 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [0,1,0,0,0,0|2,0,0]=3 978 B10R1.176 c1c(occ(c1=O)O)CO TS06646 [0,1,0,0,0,0|2,0,1]=4 979 B10R1.176 c1c(occ(c1=O)O)CO TS42677 [0,1,0,0,0,0|2,0,1]=4 980 B10R1.176 c1cc(c(cc1C#N)Br)Cl TS65916 [0,1,0,0,0,0|2,0,1]=4 981 B10R1.176 c1cc(c(cc1C#N)Br)F TS09444 [0,1,0,0,0,0|2,0,1]=4 982 B10R1.176 c1cc(c(cc1C#N)Br)N TS39468 [0,1,0,0,0,0|2,0,1]=4 983 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [0,1,0,0,0,0|1,0,1]=3 984 B10R1.176 c1cc(c(cc1C#N)Cl)Cl TS13100 [0,1,0,0,0,0|2,0,1]=4 985 B10R1.176 c1cc(c(cc1C#N)Cl)F TS02683 [0,1,0,0,0,0|2,0,1]=4 986 B10R1.176 c1cc(c(cc1C#N)Cl)N TS39469 [0,1,0,0,0,0|2,0,1]=4 987 B10R1.176 c1cc(c(cc1C#N)Cl)O TS02694 [0,1,0,0,0,0|1,0,1]=3 988 B10R1.176 c1cc(c(cc1C#N)F)Br TS09578 [0,1,0,0,0,0|2,0,1]=4 989 B10R1.176 c1cc(c(cc1C#N)F)F TS65753 [0,1,0,0,0,0|2,0,1]=4 990 B10R1.176 c1cc(c(cc1C#N)F)I TS65511 [0,1,0,0,0,0|2,0,1]=4 991 B10R1.176 c1cc(c(cc1C#N)F)N TS02744 [0,1,0,0,0,0|2,0,1]=4 992 B10R1.176 c1cc(c(cc1C#N)F)O TS65508 [0,1,0,0,0,0|1,0,1]=3 993 B10R1.176 c1cc(c(cc1C#N)I)N TS70885 [0,1,0,0,0,0|2,0,1]=4 994 B10R1.176 c1cc(c(cc1C#N)N)Cl TS65853 [0,1,0,0,0,0|2,0,1]=4 995 B10R1.176 c1cc(c(cc1C#N)N)F TS65467 [0,1,0,0,0,0|2,0,1]=4 996 B10R1.176 c1cc(c(cc1C#N)N)N TS02528 [0,1,0,0,0,0|2,0,1]=4 997 B10R1.176 c1cc(c(cc1C#N)N)O TS60259 [0,1,0,0,0,0|1,0,1]=3 998 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [0,1,0,0,0,0|2,0,1]=4 999 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [0,1,0,0,0,0|1,0,1]=3 1000 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [0,1,0,0,0,0|2,0,0]=3 1001 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [0,1,0,0,0,0|2,0,0]=3 1002 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [0,1,0,0,0,0|1,0,0]=2 1003 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [0,1,0,0,0,0|2,0,0]=3 1004 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [0,1,0,0,0,0|2,0,0]=3 1005 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [0,1,0,0,0,0|1,0,0]=2 1006 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [0,1,0,0,0,0|2,0,0]=3 1007 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [0,1,0,0,0,0|2,0,0]=3 1008 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [0,1,0,0,0,0|2,0,0]=3 1009 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [0,1,0,0,0,0|2,0,0]=3 1010 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [0,1,0,0,0,0|1,0,0]=2 1011 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [0,1,0,0,0,0|2,0,0]=3 1012 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [0,1,0,0,0,0|2,0,0]=3 1013 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [0,1,0,0,0,0|1,0,0]=2 1014 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [0,1,0,0,0,0|2,0,0]=3 1015 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [0,1,0,0,0,0|1,0,0]=2 1016 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [0,1,0,0,0,0|2,0,1]=4 1017 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [0,1,0,0,0,0|2,0,1]=4 1018 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [0,1,0,0,0,0|2,0,1]=4 1019 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [0,1,0,0,0,0|2,0,1]=4 1020 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [0,1,0,0,0,0|2,0,1]=4 1021 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [0,1,0,0,0,0|2,0,1]=4 1022 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [0,1,0,0,0,0|2,0,1]=4 1023 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [0,1,0,0,0,0|2,0,1]=4 1024 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [0,1,0,0,0,0|2,0,1]=4 1025 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [0,1,0,0,0,0|1,0,1]=3 1026 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [0,1,0,0,0,0|2,0,1]=4 1027 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [0,1,0,0,0,0|2,0,1]=4 1028 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [0,1,0,0,0,0|2,0,1]=4 1029 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [0,1,0,0,0,0|2,0,1]=4 1030 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [0,1,0,0,0,0|1,0,1]=3 1031 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [0,1,0,0,0,0|1,0,1]=3 1032 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [0,1,0,0,0,0|1,0,1]=3 1033 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [0,1,0,0,0,0|2,0,1]=4 1034 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [0,1,0,0,0,0|2,0,1]=4 1035 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [0,1,0,0,0,0|2,0,1]=4 1036 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [0,1,0,0,0,0|2,0,1]=4 1037 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [0,1,0,0,0,0|2,0,1]=4 1038 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [0,1,0,0,0,0|2,0,1]=4 1039 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [0,1,0,0,0,0|1,0,1]=3 1040 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [0,1,0,0,0,0|2,0,1]=4 1041 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [0,1,0,0,0,0|2,0,1]=4 1042 B10R1.176 c1cc(c(cc1NN)Cl)Cl TS21553 [0,1,0,0,0,0|3,0,0]=4 1043 B10R1.176 c1cc(c(cc1NN)Cl)F TS18404 [0,1,0,0,0,0|3,0,0]=4 1044 B10R1.176 c1cc(c(cc1NN)Cl)F TS42242 [0,1,0,0,0,0|3,0,0]=4 1045 B10R1.176 c1cc(c(cc1NN)F)F TS47994 [0,1,0,0,0,0|3,0,0]=4 1046 B10R1.176 c1cc(c(cc1NN)F)F TS65759 [0,1,0,0,0,0|3,0,0]=4 1047 B10R1.176 c1cc(c(cc1[Mg]Br)F)F TS49307 [0,1,0,0,0,0|3,0,0]=4 1048 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,0,0,0,1,0|3,0,0]=4 1049 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,0,0,0,1,0|3,0,0]=4 1050 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,0,0,0,1,0|3,0,0]=4 1051 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [0,0,0,0,1,0|3,0,0]=4 1052 B8R1.1 c1c(coc1C=O)Br TS39327 [0,0,0,0,1,0|3,0,0]=4 1053 B8R1.1 c1c(csc1Br)C=O TS90833 [0,0,0,0,1,0|3,0,0]=4 1054 B8R1.1 c1c(csc1C=O)Br TS70971 [0,0,0,0,1,0|3,0,0]=4 1055 B8R1.1 c1c(csc1C=O)Cl TS88146 [0,0,0,0,1,0|3,0,0]=4 1056 B8R1.1 c1c(csc1Cl)C=O TS87564 [0,0,0,0,1,0|3,0,0]=4 1057 B8R1.1 c1cc(oc1C=O)Br TS71428 [0,0,0,0,1,0|3,0,0]=4 1058 B8R1.1 c1cc(oc1C=O)I TS50041 [0,0,0,0,1,0|3,0,0]=4 1059 B8R1.1 c1cc(sc1C=O)Br TS71469 [0,0,0,0,1,0|3,0,0]=4 1060 B8R1.1 c1cc(sc1C=O)Cl TS60086 [0,0,0,0,1,0|3,0,0]=4 1061 B8R1.1 c1cc(sc1C=O)Cl TS77528 [0,0,0,0,1,0|3,0,0]=4 1062 B7R0.1 C=CCCC=CC=C TS31784 [1,0,1,0,0,0|0,0,2]=4 1063 B7R0.4 CC=CC=CC(=O)O TS31914 [1,0,1,0,0,0|1,0,1]=4 1064 B7R1.3 B=N1=CC=CC=C1 TS71871 [2,0,0,0,0,0|2,0,0]=4 1065 B7R1.3 C[n+]1ccccc1 TS05508 [2,0,0,0,0,0|1,0,1]=4 1066 B7R1.3 C[n+]1ccccc1 TS45717 [2,0,0,0,0,0|1,0,1]=4 1067 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|0,0,1]=3 1068 B7R1.3 Cc1ccccn1 TS71881 [2,0,0,0,0,0|1,0,1]=4 1069 B7R1.3 Cc1ccccn1 TS93768 [2,0,0,0,0,0|1,0,1]=4 1070 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|1,0,1]=4 1071 B7R1.3 Cc1ccncc1 TS02242 [2,0,0,0,0,0|1,0,1]=4 1072 B7R1.3 [Li]c1ccccc1 TS03475 [2,0,0,0,0,0|1,0,0]=3 1073 B7R1.3 c1c(cncn1)O TS03344 [2,0,0,0,0,0|2,0,0]=4 1074 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|2,0,0]=4 1075 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|2,0,0]=4 1076 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|2,0,0]=4 1077 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|2,0,0]=4 1078 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|2,0,0]=4 1079 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|1,0,0]=3 1080 B7R1.3 c1cc(nnc1)O TS91073 [2,0,0,0,0,0|2,0,0]=4 1081 B7R1.3 c1cc[n+](cc1)F TS15405 [2,0,0,0,0,0|2,0,0]=4 1082 B7R1.3 c1cc[n+](cc1)N TS50044 [2,0,0,0,0,0|2,0,0]=4 1083 B7R1.3 c1ccc(cc1)Br TS33230 [2,0,0,0,0,0|1,0,0]=3 1084 B7R1.3 c1ccc(cc1)Cl TS39829 [2,0,0,0,0,0|1,0,0]=3 1085 B7R1.3 c1ccc(cc1)F TS03718 [2,0,0,0,0,0|1,0,0]=3 1086 B7R1.3 c1ccc(cc1)I TS01502 [2,0,0,0,0,0|1,0,0]=3 1087 B7R1.3 c1ccc(cc1)I TS09193 [2,0,0,0,0,0|1,0,0]=3 1088 B7R1.3 c1ccc(cc1)N TS05506 [2,0,0,0,0,0|1,0,0]=3 1089 B7R1.3 c1ccc(cc1)N TS17238 [2,0,0,0,0,0|1,0,0]=3 1090 B7R1.3 c1ccc(cc1)N TS31115 [2,0,0,0,0,0|1,0,0]=3 1091 B7R1.3 c1ccc(cc1)N TS45718 [2,0,0,0,0,0|1,0,0]=3 1092 B7R1.3 c1ccc(cc1)N TS50550 [2,0,0,0,0,0|1,0,0]=3 1093 B7R1.3 c1ccc(cc1)N TS71877 [2,0,0,0,0,0|1,0,0]=3 1094 B7R1.3 c1ccc(cc1)O TS03667 [2,0,0,0,0,0|0,0,0]=2 1095 B7R1.3 c1ccc(cc1)P TS04186 [2,0,0,0,0,0|1,0,0]=3 1096 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|0,1,0]=3 1097 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [2,0,0,0,0,0|1,0,0]=3 1098 B7R1.3 c1ccc(cc1)[O-] TS31486 [2,0,0,0,0,0|0,0,1]=3 1099 B7R1.3 c1ccc(cc1)[O-] TS45086 [2,0,0,0,0,0|0,0,1]=3 1100 B7R1.3 c1ccc(cc1)[S-] TS13286 [2,0,0,0,0,0|0,1,0]=3 1101 B7R1.3 c1ccc(cc1)[S-] TS36665 [2,0,0,0,0,0|0,1,0]=3 1102 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [2,0,0,0,0,0|0,1,0]=3 1103 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [2,0,0,0,0,0|1,0,0]=3 1104 B7R1.3 c1ccn(=O)cc1 TS60161 [2,0,0,0,0,0|1,0,1]=4 1105 B7R1.3 c1ccnc(c1)Cl TS02148 [2,0,0,0,0,0|2,0,0]=4 1106 B7R1.3 c1ccnc(c1)F TS60290 [2,0,0,0,0,0|2,0,0]=4 1107 B7R1.3 c1ccnc(c1)I TS01085 [2,0,0,0,0,0|2,0,0]=4 1108 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|2,0,0]=4 1109 B7R1.3 c1ccnc(c1)O TS03693 [2,0,0,0,0,0|1,0,0]=3 1110 B7R1.3 c1ccnc(c1)S TS31885 [2,0,0,0,0,0|1,1,0]=4 1111 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [2,0,0,0,0,0|2,0,0]=4 1112 B7R1.3 c1ccoc(=O)c1 TS03711 [2,0,0,0,0,0|1,0,1]=4 1113 B7R1.3 c1cnc(cn1)O TS55403 [2,0,0,0,0,0|2,0,0]=4 1114 B7R1.3 c1cnc(nc1)O TS13789 [2,0,0,0,0,0|2,0,0]=4 1115 B7R1.3 c1cnc(nc1)O TS55405 [2,0,0,0,0,0|2,0,0]=4 1116 B7R1.3 c1cnc(nc1)O TS55406 [2,0,0,0,0,0|2,0,0]=4 1117 B7R1.3 c1cnccc1Br TS57179 [2,0,0,0,0,0|2,0,0]=4 1118 B7R1.3 c1cnccc1Cl TS09693 [2,0,0,0,0,0|2,0,0]=4 1119 B7R1.3 c1cnccc1I TS09722 [2,0,0,0,0,0|2,0,0]=4 1120 B7R1.3 c1cnccc1N TS70921 [2,0,0,0,0,0|2,0,0]=4 1121 B7R1.3 c1cnccc1O TS87252 [2,0,0,0,0,0|1,0,0]=3 1122 B7R1.3 c1cnccc1S TS31884 [2,0,0,0,0,0|1,1,0]=4 1123 B7R1.3 c1cncnc1O TS03137 [2,0,0,0,0,0|2,0,0]=4 1124 B7R1.3 c1cncnc1O TS15021 [2,0,0,0,0,0|2,0,0]=4 1125 B7R1.3 c1cncnc1O TS16881 [2,0,0,0,0,0|2,0,0]=4 1126 B7R1.3 c1cnncc1O TS03136 [2,0,0,0,0,0|2,0,0]=4 1127 B7R1.3 c1coccc1=O TS39928 [2,0,0,0,0,0|1,0,1]=4 1128 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,1,0,0,0,0|0,0,2]=4 1129 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,1,0,0,0,0|0,0,2]=4 1130 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,1,0,0,0,0|0,0,2]=4 1131 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,1,0,0,0,0|0,0,2]=4 1132 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,1,0,0,0,0|0,0,2]=4 1133 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [1,1,0,0,0,0|1,0,0]=3 1134 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,1,0,0,0,0|0,0,0]=2 1135 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,1,0,0,0,0|0,0,0]=2 1136 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,1,0,0,0,0|0,0,0]=2 1137 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,1,0,0,0,0|0,0,0]=2 1138 B9R1.2 CCc1cccc(c1)Br TS32764 [1,1,0,0,0,0|0,0,2]=4 1139 B9R1.2 CCc1cccc(c1)C TS04835 [1,1,0,0,0,0|0,0,2]=4 1140 B9R1.2 CCc1cccc(c1)N TS32463 [1,1,0,0,0,0|0,0,2]=4 1141 B9R1.2 CCc1cccc(c1)O TS04895 [1,1,0,0,0,0|0,0,2]=4 1142 B9R1.2 CNc1cccc(c1)Br TS48829 [1,1,0,0,0,0|1,0,1]=4 1143 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,1,0,0,0,0|1,0,1]=4 1144 B9R1.2 CNc1cccc(c1)F TS70598 [1,1,0,0,0,0|1,0,1]=4 1145 B9R1.2 COc1cccc(c1)Br TS00028 [1,1,0,0,0,0|1,0,1]=4 1146 B9R1.2 COc1cccc(c1)Cl TS37686 [1,1,0,0,0,0|1,0,1]=4 1147 B9R1.2 COc1cccc(c1)F TS70591 [1,1,0,0,0,0|1,0,1]=4 1148 B9R1.2 COc1cccc(c1)I TS39445 [1,1,0,0,0,0|1,0,1]=4 1149 B9R1.2 COc1cccc(c1)N TS02081 [1,1,0,0,0,0|1,0,1]=4 1150 B9R1.2 COc1cccc(c1)N TS11191 [1,1,0,0,0,0|1,0,1]=4 1151 B9R1.2 COc1cccc(c1)O TS39714 [1,1,0,0,0,0|1,0,1]=4 1152 B9R1.2 COc1cccc(c1)S TS70650 [1,1,0,0,0,0|1,0,1]=4 1153 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,1,0,0,0,0|1,0,1]=4 1154 B9R1.2 CSc1cccc(c1)Br TS60340 [1,1,0,0,0,0|1,0,1]=4 1155 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,1,0,0,0,0|1,0,1]=4 1156 B9R1.2 CSc1cccc(c1)F TS60012 [1,1,0,0,0,0|1,0,1]=4 1157 B9R1.2 CSc1cccc(c1)I TS27987 [1,1,0,0,0,0|1,0,1]=4 1158 B9R1.2 CSc1cccc(c1)N TS02674 [1,1,0,0,0,0|1,0,1]=4 1159 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,1,0,0,0,0|2,0,0]=4 1160 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,1,0,0,0,0|2,0,0]=4 1161 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,1,0,0,0,0|0,0,2]=4 1162 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,1,0,0,0,0|1,0,1]=4 1163 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,1,0,0,0,0|0,0,0]=2 1164 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,1,0,0,0,0|1,0,1]=4 1165 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,1,0,0,0,0|1,0,1]=4 1166 B9R1.2 Cc1cccc(c1)CN TS04866 [1,1,0,0,0,0|1,0,1]=4 1167 B9R1.2 Cc1cccc(c1)CO TS04903 [1,1,0,0,0,0|1,0,1]=4 1168 B9R1.2 Cc1cccc(c1)CS TS06306 [1,1,0,0,0,0|1,0,1]=4 1169 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,1,0,0,0,0|1,0,1]=4 1170 B9R1.2 Cc1cccc(c1)NC TS32467 [1,1,0,0,0,0|1,0,1]=4 1171 B9R1.2 Cc1cccc(c1)NN TS04918 [1,1,0,0,0,0|2,0,0]=4 1172 B9R1.2 Cc1cccc(c1)NN TS41997 [1,1,0,0,0,0|2,0,0]=4 1173 B9R1.2 Cc1cccc(c1)OC TS32509 [1,1,0,0,0,0|1,0,1]=4 1174 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,1,0,0,0,0|2,0,0]=4 1175 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,1,0,0,0,0|2,0,0]=4 1176 B9R1.2 Cc1cccc(n1)C=C TS04794 [1,1,0,0,0,0|1,0,0]=3 1177 B9R1.2 Cc1cccc(n1)C=O TS85261 [1,1,0,0,0,0|2,0,0]=4 1178 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,1,0,0,0,0|2,0,0]=4 1179 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,1,0,0,0,0|1,0,1]=4 1180 B9R1.2 c1c(cncc1Br)C=O TS16988 [1,1,0,0,0,0|2,0,0]=4 1181 B9R1.2 c1c(cncc1Cl)C=O TS37528 [1,1,0,0,0,0|2,0,0]=4 1182 B9R1.2 c1c(cncc1F)C=O TS03322 [1,1,0,0,0,0|2,0,0]=4 1183 B9R1.2 c1c(cncc1I)C=O TS25323 [1,1,0,0,0,0|2,0,0]=4 1184 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,1,0,0,0,0|1,0,1]=4 1185 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,1,0,0,0,0|1,0,0]=3 1186 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,1,0,0,0,0|1,0,1]=4 1187 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,1,0,0,0,0|1,0,1]=4 1188 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,1,0,0,0,0|1,0,1]=4 1189 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,1,0,0,0,0|1,0,1]=4 1190 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,1,0,0,0,0|1,0,1]=4 1191 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,1,0,0,0,0|1,0,1]=4 1192 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,1,0,0,0,0|2,0,0]=4 1193 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,1,0,0,0,0|1,0,1]=4 1194 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,1,0,0,0,0|1,0,0]=3 1195 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,1,0,0,0,0|1,0,1]=4 1196 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,1,0,0,0,0|1,0,1]=4 1197 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,1,0,0,0,0|1,0,1]=4 1198 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,1,0,0,0,0|1,0,1]=4 1199 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,1,0,0,0,0|2,0,0]=4 1200 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,1,0,0,0,0|1,0,1]=4 1201 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,1,0,0,0,0|1,0,0]=3 1202 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,1,0,0,0,0|1,0,1]=4 1203 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,1,0,0,0,0|1,0,1]=4 1204 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,1,0,0,0,0|1,0,1]=4 1205 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,1,0,0,0,0|1,0,1]=4 1206 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,1,0,0,0,0|1,0,1]=4 1207 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,1,0,0,0,0|1,0,1]=4 1208 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,1,0,0,0,0|1,0,0]=3 1209 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,1,0,0,0,0|1,0,1]=4 1210 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,1,0,0,0,0|1,0,1]=4 1211 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,1,0,0,0,0|1,0,1]=4 1212 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,1,0,0,0,0|1,0,1]=4 1213 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,1,0,0,0,0|1,0,1]=4 1214 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,1,0,0,0,0|1,0,0]=3 1215 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,1,0,0,0,0|1,0,0]=3 1216 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,1,0,0,0,0|1,0,1]=4 1217 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,1,0,0,0,0|1,0,1]=4 1218 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,1,0,0,0,0|1,0,1]=4 1219 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,1,0,0,0,0|1,0,0]=3 1220 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,1,0,0,0,0|1,0,1]=4 1221 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,1,0,0,0,0|1,0,1]=4 1222 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,1,0,0,0,0|1,0,1]=4 1223 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,1,0,0,0,0|2,0,0]=4 1224 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,1,0,0,0,0|1,0,1]=4 1225 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [1,1,0,0,0,0|2,0,0]=4 1226 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [1,1,0,0,0,0|2,0,0]=4 1227 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [1,1,0,0,0,0|2,0,0]=4 1228 B9R1.2 c1cnc(cc1Br)C=O TS71011 [1,1,0,0,0,0|2,0,0]=4 1229 B9R1.2 c1cnc(cc1C=O)Br TS00862 [1,1,0,0,0,0|2,0,0]=4 1230 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [1,1,0,0,0,0|2,0,0]=4 1231 B9R1.2 c1cnc(cc1C=O)F TS01027 [1,1,0,0,0,0|2,0,0]=4 1232 B9R1.2 c1cnc(cc1C=O)N TS32497 [1,1,0,0,0,0|2,0,0]=4 1233 B9R1.2 c1cnc(cc1C=O)O TS55404 [1,1,0,0,0,0|2,0,0]=4 1234 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [1,1,0,0,0,0|2,0,0]=4 1235 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,1,0,0,0,0|0,0,0]=2 1238 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,1,0,0,0,0|0,0,0]=2 1239 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,1,0,0,0,0|0,0,0]=2 1240 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,1,0,0,0,0|0,0,1]=3 1241 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,1,0,0,0,0|0,0,1]=3 1242 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,1,0,0,0,0|0,0,1]=3 1243 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,1,0,0,0,0|0,0,1]=3 1244 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,1,0,0,0,0|1,0,1]=4 1245 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,1,0,0,0,0|1,0,1]=4 1246 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,1,0,0,0,0|1,0,1]=4 1247 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,1,0,0,0,0|0,0,2]=4 1248 B9R1.6 CC(c1ccccc1)N TS55879 [1,1,0,0,0,0|0,0,2]=4 1249 B9R1.6 CC(c1ccccc1)O TS04908 [1,1,0,0,0,0|0,0,2]=4 1250 B9R1.6 CN(C)c1ccccc1 TS56353 [1,1,0,0,0,0|1,0,1]=4 1251 B9R1.6 CN(c1ccccc1)N TS46980 [1,1,0,0,0,0|1,0,1]=4 1252 B9R1.6 CP(C)c1ccccc1 TS37178 [1,1,0,0,0,0|1,0,1]=4 1253 B9R1.6 CP(C)c1ccccc1 TS75399 [1,1,0,0,0,0|1,0,1]=4 1254 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,1,0,0,0,0|0,0,2]=4 1255 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,1,0,0,0,0|0,0,2]=4 1256 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,1,0,0,0,0|0,0,2]=4 1257 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,1,0,0,0,0|0,0,2]=4 1258 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,1,0,0,0,0|0,0,2]=4 1259 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,1,0,0,0,0|0,1,1]=4 1260 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [1,1,0,0,0,0|2,0,0]=4 1261 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [1,1,0,0,0,0|2,0,0]=4 1262 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [1,1,0,0,0,0|2,0,0]=4 1263 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,1,0,0,0,0|2,0,0]=4 1264 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,1,0,0,0,0|2,0,0]=4 1265 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,1,0,0,0,0|2,0,0]=4 1266 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [1,1,0,0,0,0|2,0,0]=4 1267 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [1,1,0,0,0,0|2,0,0]=4 1268 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [1,1,0,0,0,0|2,0,0]=4 1269 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [1,1,0,0,0,0|2,0,0]=4 1270 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [1,1,0,0,0,0|2,0,0]=4 1271 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [1,1,0,0,0,0|2,0,0]=4 1272 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,1,0,0,0,0|1,0,0]=3 1273 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,1,0,0,0,0|1,0,0]=3 1274 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,1,0,0,0,0|1,0,0]=3 1275 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,1,0,0,0,0|1,0,0]=3 1276 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,1,0,0,0,0|1,0,0]=3 1277 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,1,0,0,0,0|1,0,0]=3 1278 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,1,0,0,0,0|1,0,0]=3 1279 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,1,0,0,0,0|1,0,0]=3 1280 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,1,0,0,0,0|1,0,0]=3 1281 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,1,0,0,0,0|1,0,0]=3 1282 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,1,0,0,0,0|1,0,0]=3 1283 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,1,0,0,0,0|1,0,0]=3 1284 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,1,0,0,0,0|1,0,0]=3 1285 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,1,0,0,0,0|1,0,0]=3 1286 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,1,0,0,0,0|1,0,0]=3 1287 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,1,0,0,0,0|1,0,0]=3 1288 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,1,0,0,0,0|1,0,0]=3 1289 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,1,0,0,0,0|1,0,0]=3 1290 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,1,0,0,0,0|1,0,0]=3 1291 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,1,0,0,0,0|1,0,1]=4 1292 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,1,0,0,0,0|1,0,1]=4 1293 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,1,0,0,0,0|2,0,0]=4 1298 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,1,0,0,0,0|2,0,0]=4 1299 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,1,0,0,0,0|2,0,0]=4 1300 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,1,0,0,0,0|1,1,0]=4 1303 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,1,0,0,0,0|2,0,0]=4 1306 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,1,0,0,0,0|2,0,0]=4 1308 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,1,0,0,0,0|2,0,0]=4 1309 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,1,0,0,0,0|2,0,0]=4 1310 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,1,0,0,0,0|2,0,0]=4 1311 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,1,0,0,0,0|2,0,0]=4 1312 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [1,1,0,0,0,0|2,0,0]=4 1313 B9R1.6 c1cnccc1C(=N)N TS01862 [1,1,0,0,0,0|2,0,0]=4 1314 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,1,0,0,0,0|2,0,0]=4 1315 B9R1.6 c1cnccc1C(=O)N TS74511 [1,1,0,0,0,0|2,0,0]=4 1316 B9R1.6 c1cnccc1C(=O)O TS01508 [1,1,0,0,0,0|2,0,0]=4 1317 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,1,0,0,0,0|2,0,0]=4 1318 B9R1.6 c1cnccc1C(=S)N TS06294 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.8 C#CCc1ccccc1 TS32230 [1,1,0,0,0,0|0,0,2]=4 1320 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,1,0,0,0,0|1,0,0]=3 1321 B9R1.8 C=CCc1ccccc1 TS32347 [1,1,0,0,0,0|0,0,0]=2 1322 B9R1.8 C=CSc1ccccc1 TS06113 [1,1,0,0,0,0|0,0,0]=2 1323 B9R1.8 CC#Cc1ccccc1 TS04599 [1,1,0,0,0,0|0,0,2]=4 1324 B9R1.8 CC=Cc1ccccc1 TS32346 [1,1,0,0,0,0|0,0,0]=2 1325 B9R1.8 CCCc1ccccc1 TS04832 [1,1,0,0,0,0|0,0,2]=4 1326 B9R1.8 CCNc1ccccc1 TS04869 [1,1,0,0,0,0|0,0,2]=4 1327 B9R1.8 CCOc1ccccc1 TS04896 [1,1,0,0,0,0|0,0,2]=4 1328 B9R1.8 CCSc1ccccc1 TS06299 [1,1,0,0,0,0|0,0,2]=4 1329 B9R1.8 CNCc1ccccc1 TS01938 [1,1,0,0,0,0|0,0,2]=4 1330 B9R1.8 CNNc1ccccc1 TS85406 [1,1,0,0,0,0|1,0,1]=4 1331 B9R1.8 COCc1ccccc1 TS04897 [1,1,0,0,0,0|0,0,2]=4 1332 B9R1.8 CSCc1ccccc1 TS06309 [1,1,0,0,0,0|0,0,2]=4 1333 B9R1.8 CSSc1ccccc1 TS41708 [1,1,0,0,0,0|1,0,1]=4 1334 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,1,0,0,0,0|0,0,2]=4 1335 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,1,0,0,0,0|0,0,2]=4 1336 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,1,0,0,0,0|2,0,0]=4 1337 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,1,0,0,0,0|0,0,2]=4 1338 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,1,0,0,0,0|0,0,0]=2 1339 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,1,0,0,0,0|0,0,0]=2 1340 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,1,0,0,0,0|0,0,0]=2 1341 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,1,0,0,0,0|1,0,0]=3 1342 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,1,0,0,0,0|1,0,0]=3 1343 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,1,0,0,0,0|0,0,2]=4 1344 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,1,0,0,0,0|0,0,2]=4 1345 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,1,0,0,0,0|0,0,2]=4 1346 B9R1.8 c1ccc(cc1)CCI TS25156 [1,1,0,0,0,0|0,0,2]=4 1347 B9R1.8 c1ccc(cc1)CCN TS22602 [1,1,0,0,0,0|0,0,2]=4 1348 B9R1.8 c1ccc(cc1)CCN TS65627 [1,1,0,0,0,0|0,0,2]=4 1349 B9R1.8 c1ccc(cc1)CCO TS04901 [1,1,0,0,0,0|0,0,2]=4 1350 B9R1.8 c1ccc(cc1)CCS TS06307 [1,1,0,0,0,0|0,0,2]=4 1351 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,1,0,0,0,0|0,0,2]=4 1352 B9R1.8 c1ccc(cc1)CNN TS09177 [1,1,0,0,0,0|1,0,1]=4 1353 B9R1.8 c1ccc(cc1)CNN TS21284 [1,1,0,0,0,0|1,0,1]=4 1354 B9R1.8 c1ccc(cc1)CNO TS01934 [1,1,0,0,0,0|1,0,1]=4 1355 B9R1.8 c1ccc(cc1)CNO TS93618 [1,1,0,0,0,0|1,0,1]=4 1356 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,1,0,0,0,0|1,0,1]=4 1357 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,1,0,0,0,0|1,0,1]=4 1358 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,1,0,0,0,0|1,0,1]=4 1359 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,1,0,0,0,0|1,0,1]=4 1360 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,1,0,0,0,0|2,0,0]=4 1361 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,1,0,0,0,0|1,0,0]=3 1362 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,1,0,0,0,0|1,0,1]=4 1363 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,1,0,0,0,0|1,0,0]=3 1364 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,1,0,0,0,0|1,0,1]=4 1365 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,1,0,0,0,0|1,0,1]=4 1366 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,1,0,0,0,0|0,1,1]=4 1367 B9R1.8 c1ccnc(c1)C=NO TS53320 [1,1,0,0,0,0|2,0,0]=4 1368 B9R1.8 c1ccnc(c1)C=NO TS94195 [1,1,0,0,0,0|2,0,0]=4 1369 B9R1.8 c1ccnc(c1)NC=O TS32499 [1,1,0,0,0,0|2,0,0]=4 1370 B9R1.8 c1cnccc1C=NO TS59376 [1,1,0,0,0,0|2,0,0]=4 1371 B9R1.15 C#Cc1ccccc1Br TS48023 [1,1,0,0,0,0|0,0,2]=4 1372 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,1,0,0,0,0|0,0,2]=4 1373 B9R1.15 C#Cc1ccccc1F TS77181 [1,1,0,0,0,0|0,0,2]=4 1374 B9R1.15 C#Cc1ccccc1O TS55318 [1,1,0,0,0,0|0,0,2]=4 1375 B9R1.15 C=Cc1ccccc1Br TS55173 [1,1,0,0,0,0|0,0,0]=2 1376 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,1,0,0,0,0|0,0,0]=2 1377 B9R1.15 C=Cc1ccccc1F TS32504 [1,1,0,0,0,0|0,0,0]=2 1378 B9R1.15 C=Cc1ccccc1I TS24807 [1,1,0,0,0,0|0,0,0]=2 1379 B9R1.15 CCc1ccccc1Br TS15420 [1,1,0,0,0,0|0,0,2]=4 1380 B9R1.15 CCc1ccccc1C TS16337 [1,1,0,0,0,0|0,0,2]=4 1381 B9R1.15 CCc1ccccc1Cl TS37450 [1,1,0,0,0,0|0,0,2]=4 1382 B9R1.15 CCc1ccccc1I TS25157 [1,1,0,0,0,0|0,0,2]=4 1383 B9R1.15 CCc1ccccc1N TS32474 [1,1,0,0,0,0|0,0,2]=4 1384 B9R1.15 CCc1ccccc1O TS04900 [1,1,0,0,0,0|0,0,2]=4 1385 B9R1.15 CCc1ccccc1S TS06304 [1,1,0,0,0,0|0,0,2]=4 1386 B9R1.15 CNc1ccccc1Cl TS37531 [1,1,0,0,0,0|1,0,1]=4 1387 B9R1.15 CNc1ccccc1F TS56413 [1,1,0,0,0,0|1,0,1]=4 1388 B9R1.15 CNc1ccccc1N TS01587 [1,1,0,0,0,0|1,0,1]=4 1389 B9R1.15 CNc1ccccc1N TS41998 [1,1,0,0,0,0|1,0,1]=4 1390 B9R1.15 CNc1ccccc1N TS60152 [1,1,0,0,0,0|1,0,1]=4 1391 B9R1.15 CNc1ccccc1O TS04968 [1,1,0,0,0,0|1,0,1]=4 1392 B9R1.15 COc1ccccc1Br TS00023 [1,1,0,0,0,0|1,0,1]=4 1393 B9R1.15 COc1ccccc1Cl TS37688 [1,1,0,0,0,0|1,0,1]=4 1394 B9R1.15 COc1ccccc1F TS60288 [1,1,0,0,0,0|1,0,1]=4 1395 B9R1.15 COc1ccccc1I TS09308 [1,1,0,0,0,0|1,0,1]=4 1396 B9R1.15 COc1ccccc1N TS29238 [1,1,0,0,0,0|1,0,1]=4 1397 B9R1.15 COc1ccccc1N TS59329 [1,1,0,0,0,0|1,0,1]=4 1398 B9R1.15 COc1ccccc1P TS06425 [1,1,0,0,0,0|1,0,1]=4 1399 B9R1.15 COc1ccccc1S TS37393 [1,1,0,0,0,0|1,0,1]=4 1400 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,1,0,0,0,0|1,0,1]=4 1401 B9R1.15 CSc1ccccc1Br TS19526 [1,1,0,0,0,0|1,0,1]=4 1402 B9R1.15 CSc1ccccc1Cl TS42002 [1,1,0,0,0,0|1,0,1]=4 1403 B9R1.15 CSc1ccccc1F TS06689 [1,1,0,0,0,0|1,0,1]=4 1404 B9R1.15 CSc1ccccc1I TS27990 [1,1,0,0,0,0|1,0,1]=4 1405 B9R1.15 CSc1ccccc1O TS37395 [1,1,0,0,0,0|1,0,1]=4 1406 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,1,0,0,0,0|1,0,1]=4 1407 B9R1.15 Cc1c(cccn1)C=O TS02436 [1,1,0,0,0,0|2,0,0]=4 1408 B9R1.15 Cc1ccccc1C#C TS02442 [1,1,0,0,0,0|0,0,2]=4 1409 B9R1.15 Cc1ccccc1C#N TS04680 [1,1,0,0,0,0|1,0,1]=4 1410 B9R1.15 Cc1ccccc1C=C TS02453 [1,1,0,0,0,0|0,0,0]=2 1411 B9R1.15 Cc1ccccc1C=O TS04808 [1,1,0,0,0,0|1,0,0]=3 1412 B9R1.15 Cc1ccccc1CBr TS01133 [1,1,0,0,0,0|1,0,1]=4 1413 B9R1.15 Cc1ccccc1CCl TS37456 [1,1,0,0,0,0|1,0,1]=4 1414 B9R1.15 Cc1ccccc1CN TS04867 [1,1,0,0,0,0|1,0,1]=4 1415 B9R1.15 Cc1ccccc1CO TS04907 [1,1,0,0,0,0|1,0,1]=4 1416 B9R1.15 Cc1ccccc1CS TS06308 [1,1,0,0,0,0|1,0,1]=4 1417 B9R1.15 Cc1ccccc1NC TS32471 [1,1,0,0,0,0|1,0,1]=4 1418 B9R1.15 Cc1ccccc1NN TS60156 [1,1,0,0,0,0|2,0,0]=4 1419 B9R1.15 Cc1ccccc1OC TS32508 [1,1,0,0,0,0|1,0,1]=4 1420 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,1,0,0,0,0|2,0,0]=4 1421 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,1,0,0,0,0|2,0,0]=4 1422 B9R1.15 Cc1cccnc1C=O TS70677 [1,1,0,0,0,0|2,0,0]=4 1423 B9R1.15 Cc1ccncc1C=O TS32454 [1,1,0,0,0,0|2,0,0]=4 1424 B9R1.15 Cc1cnccc1C=O TS02833 [1,1,0,0,0,0|2,0,0]=4 1425 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,1,0,0,0,0|1,0,1]=4 1426 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,1,0,0,0,0|1,0,1]=4 1427 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [1,1,0,0,0,0|2,0,0]=4 1428 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [1,1,0,0,0,0|2,0,0]=4 1429 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [1,1,0,0,0,0|2,0,0]=4 1430 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [1,1,0,0,0,0|2,0,0]=4 1431 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,1,0,0,0,0|2,0,0]=4 1432 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [1,1,0,0,0,0|2,0,0]=4 1433 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [1,1,0,0,0,0|2,0,0]=4 1434 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,1,0,0,0,0|2,0,0]=4 1435 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,1,0,0,0,0|1,0,1]=4 1436 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,1,0,0,0,0|1,0,1]=4 1437 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,1,0,0,0,0|1,0,1]=4 1438 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,1,0,0,0,0|1,0,1]=4 1439 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,1,0,0,0,0|1,0,1]=4 1440 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,1,0,0,0,0|1,0,1]=4 1441 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,1,0,0,0,0|1,0,1]=4 1442 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,1,0,0,0,0|1,0,0]=3 1443 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,1,0,0,0,0|1,0,0]=3 1444 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,1,0,0,0,0|1,0,0]=3 1445 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,1,0,0,0,0|1,0,0]=3 1446 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,1,0,0,0,0|1,0,0]=3 1447 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,1,0,0,0,0|1,0,0]=3 1448 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,1,0,0,0,0|1,0,0]=3 1449 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,1,0,0,0,0|1,0,1]=4 1450 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,1,0,0,0,0|1,0,1]=4 1451 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,1,0,0,0,0|1,0,1]=4 1452 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,1,0,0,0,0|1,0,1]=4 1453 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,1,0,0,0,0|1,0,1]=4 1454 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,1,0,0,0,0|1,0,1]=4 1455 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,1,0,0,0,0|1,0,1]=4 1456 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,1,0,0,0,0|1,0,1]=4 1457 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,1,0,0,0,0|1,0,1]=4 1458 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,1,0,0,0,0|1,0,1]=4 1459 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,1,0,0,0,0|1,0,1]=4 1460 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,1,0,0,0,0|1,0,1]=4 1461 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,1,0,0,0,0|1,0,1]=4 1462 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,1,0,0,0,0|1,0,1]=4 1463 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,1,0,0,0,0|1,0,1]=4 1464 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,1,0,0,0,0|1,0,1]=4 1465 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,1,0,0,0,0|1,0,1]=4 1466 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,1,0,0,0,0|1,0,1]=4 1467 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,1,0,0,0,0|1,0,1]=4 1468 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,1,0,0,0,0|1,0,1]=4 1469 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,1,0,0,0,0|1,0,1]=4 1470 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,1,0,0,0,0|1,0,1]=4 1471 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,1,0,0,0,0|1,0,1]=4 1472 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,1,0,0,0,0|1,0,1]=4 1473 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,1,0,0,0,0|1,0,1]=4 1474 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,1,0,0,0,0|2,0,0]=4 1475 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,1,0,0,0,0|2,0,0]=4 1476 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,1,0,0,0,0|2,0,0]=4 1477 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,1,0,0,0,0|2,0,0]=4 1478 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,1,0,0,0,0|2,0,0]=4 1479 B9R1.15 c1cncc(c1Br)C=O TS09580 [1,1,0,0,0,0|2,0,0]=4 1480 B9R1.15 c1cncc(c1C=O)Br TS48819 [1,1,0,0,0,0|2,0,0]=4 1481 B9R1.15 c1cncc(c1C=O)Cl TS02716 [1,1,0,0,0,0|2,0,0]=4 1482 B9R1.15 c1cncc(c1C=O)F TS36047 [1,1,0,0,0,0|2,0,0]=4 1483 B9R1.15 c1cncc(c1C=O)N TS32500 [1,1,0,0,0,0|2,0,0]=4 1484 B9R1.15 c1cncc(c1C=O)O TS02800 [1,1,0,0,0,0|2,0,0]=4 1485 B9R1.15 c1cncc(c1Cl)C=O TS09675 [1,1,0,0,0,0|2,0,0]=4 1486 B9R1.15 c1cncc(c1F)C=O TS33163 [1,1,0,0,0,0|2,0,0]=4 1487 B9R1.15 c1cncc(c1N)C=O TS70883 [1,1,0,0,0,0|2,0,0]=4 1488 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [1,1,0,0,0,0|1,0,1]=4 1489 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [1,1,0,0,0,0|1,0,1]=4 1490 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [1,1,0,0,0,0|1,0,1]=4 1491 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,1,0,0,0,0|2,0,0]=4 1492 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,1,0,0,0,0|2,0,0]=4 1493 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [1,1,0,0,0,0|1,0,1]=4 1494 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [1,1,0,0,0,0|1,0,1]=4 1495 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [1,1,0,0,0,0|2,0,0]=4 1496 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [1,1,0,0,0,0|2,0,0]=4 1497 B9R1.69 Cc1cc(ccc1Br)F TS85460 [1,1,0,0,0,0|2,0,0]=4 1498 B9R1.69 Cc1cc(ccc1Br)I TS08348 [1,1,0,0,0,0|2,0,0]=4 1499 B9R1.69 Cc1cc(ccc1Br)N TS09584 [1,1,0,0,0,0|2,0,0]=4 1500 B9R1.69 Cc1cc(ccc1Br)O TS09587 [1,1,0,0,0,0|1,0,0]=3 1501 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [1,1,0,0,0,0|2,0,0]=4 1502 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [1,1,0,0,0,0|2,0,0]=4 1503 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [1,1,0,0,0,0|2,0,0]=4 1504 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [1,1,0,0,0,0|2,0,0]=4 1505 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [1,1,0,0,0,0|2,0,0]=4 1506 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [1,1,0,0,0,0|1,0,0]=3 1507 B9R1.69 Cc1cc(ccc1F)Br TS16784 [1,1,0,0,0,0|2,0,0]=4 1508 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [1,1,0,0,0,0|2,0,0]=4 1509 B9R1.69 Cc1cc(ccc1F)F TS22993 [1,1,0,0,0,0|2,0,0]=4 1510 B9R1.69 Cc1cc(ccc1F)I TS65051 [1,1,0,0,0,0|2,0,0]=4 1511 B9R1.69 Cc1cc(ccc1F)N TS36056 [1,1,0,0,0,0|2,0,0]=4 1512 B9R1.69 Cc1cc(ccc1F)O TS71121 [1,1,0,0,0,0|1,0,0]=3 1513 B9R1.69 Cc1cc(ccc1F)S TS06691 [1,1,0,0,0,0|1,1,0]=4 1514 B9R1.69 Cc1cc(ccc1I)Br TS59717 [1,1,0,0,0,0|2,0,0]=4 1515 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [1,1,0,0,0,0|2,0,0]=4 1516 B9R1.69 Cc1cc(ccc1I)F TS71539 [1,1,0,0,0,0|2,0,0]=4 1517 B9R1.69 Cc1cc(ccc1I)I TS78661 [1,1,0,0,0,0|2,0,0]=4 1518 B9R1.69 Cc1cc(ccc1N)Br TS23566 [1,1,0,0,0,0|2,0,0]=4 1519 B9R1.69 Cc1cc(ccc1N)Br TS93925 [1,1,0,0,0,0|2,0,0]=4 1520 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [1,1,0,0,0,0|2,0,0]=4 1521 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [1,1,0,0,0,0|2,0,0]=4 1522 B9R1.69 Cc1cc(ccc1N)I TS71186 [1,1,0,0,0,0|2,0,0]=4 1523 B9R1.69 Cc1cc(ccc1N)N TS00178 [1,1,0,0,0,0|2,0,0]=4 1524 B9R1.69 Cc1cc(ccc1N)N TS17999 [1,1,0,0,0,0|2,0,0]=4 1525 B9R1.69 Cc1cc(ccc1N)N TS23083 [1,1,0,0,0,0|2,0,0]=4 1526 B9R1.69 Cc1cc(ccc1N)O TS02998 [1,1,0,0,0,0|1,0,0]=3 1527 B9R1.69 Cc1cc(ccc1O)Br TS01121 [1,1,0,0,0,0|1,0,0]=3 1528 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [1,1,0,0,0,0|1,0,0]=3 1529 B9R1.69 Cc1cc(ccc1O)F TS09704 [1,1,0,0,0,0|1,0,0]=3 1530 B9R1.69 Cc1cc(ccc1O)I TS53550 [1,1,0,0,0,0|1,0,0]=3 1531 B9R1.69 Cc1cc(ccc1O)N TS08867 [1,1,0,0,0,0|1,0,0]=3 1532 B9R1.69 Cc1cc(ccc1O)O TS32600 [1,1,0,0,0,0|1,0,0]=3 1533 B9R1.69 Cc1cc(ccc1O)S TS70667 [1,1,0,0,0,0|1,0,0]=3 1534 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,1,0,0,0,0|2,0,0]=4 1535 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,1,0,0,0,0|2,0,0]=4 1536 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,1,0,0,0,0|2,0,0]=4 1537 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,1,0,0,0,0|2,0,0]=4 1538 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,1,0,0,0,0|2,0,0]=4 1539 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,1,0,0,0,0|2,0,0]=4 1540 B9R1.69 Cc1cc(ncc1Br)O TS50643 [1,1,0,0,0,0|2,0,0]=4 1541 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [1,1,0,0,0,0|1,0,1]=4 1542 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,1,0,0,0,0|1,0,1]=4 1543 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [1,1,0,0,0,0|1,0,1]=4 1544 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [1,1,0,0,0,0|1,0,1]=4 1545 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [1,1,0,0,0,0|1,0,1]=4 1546 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [1,1,0,0,0,0|1,0,1]=4 1547 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [1,1,0,0,0,0|0,0,1]=3 1548 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [1,1,0,0,0,0|0,1,1]=4 1549 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,1,0,0,0,0|1,0,1]=4 1550 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,1,0,0,0,0|1,0,1]=4 1551 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,1,0,0,0,0|1,0,1]=4 1552 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,1,0,0,0,0|1,0,1]=4 1553 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,1,0,0,0,0|1,0,1]=4 1554 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,1,0,0,0,0|1,0,1]=4 1555 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,1,0,0,0,0|1,0,1]=4 1556 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,1,0,0,0,0|0,0,1]=3 1557 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,1,0,0,0,0|0,1,1]=4 1558 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,1,0,0,0,0|0,1,1]=4 1559 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [1,1,0,0,0,0|1,0,1]=4 1560 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,1,0,0,0,0|1,0,1]=4 1561 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [1,1,0,0,0,0|1,0,1]=4 1562 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [1,1,0,0,0,0|1,0,1]=4 1563 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [1,1,0,0,0,0|1,0,1]=4 1564 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [1,1,0,0,0,0|1,0,1]=4 1565 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [1,1,0,0,0,0|0,0,1]=3 1566 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [1,1,0,0,0,0|1,0,1]=4 1567 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,1,0,0,0,0|1,0,1]=4 1568 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [1,1,0,0,0,0|1,0,1]=4 1569 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [1,1,0,0,0,0|1,0,1]=4 1570 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [1,1,0,0,0,0|1,0,1]=4 1571 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [1,1,0,0,0,0|1,0,1]=4 1572 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,1,0,0,0,0|1,0,1]=4 1573 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [1,1,0,0,0,0|1,0,1]=4 1574 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [1,1,0,0,0,0|1,0,1]=4 1575 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [1,1,0,0,0,0|1,0,1]=4 1576 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [1,1,0,0,0,0|1,0,1]=4 1577 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,1,0,0,0,0|1,0,1]=4 1578 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [1,1,0,0,0,0|1,0,1]=4 1579 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [1,1,0,0,0,0|1,0,1]=4 1580 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [1,1,0,0,0,0|1,0,1]=4 1581 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [1,1,0,0,0,0|1,0,1]=4 1582 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [1,1,0,0,0,0|0,0,1]=3 1583 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [1,1,0,0,0,0|0,0,1]=3 1584 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,1,0,0,0,0|1,0,1]=4 1585 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [1,1,0,0,0,0|1,0,1]=4 1586 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [1,1,0,0,0,0|1,0,1]=4 1587 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [1,1,0,0,0,0|1,0,1]=4 1588 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [1,1,0,0,0,0|0,0,1]=3 1589 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,1,0,0,0,0|1,0,1]=4 1590 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [1,1,0,0,0,0|0,1,1]=4 1591 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [1,1,0,0,0,0|0,1,1]=4 1592 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [1,1,0,0,0,0|0,1,1]=4 1593 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,1,0,0,0,0|1,0,1]=4 1594 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [1,1,0,0,0,0|1,0,1]=4 1595 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,1,0,0,0,0|1,0,1]=4 1596 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [1,1,0,0,0,0|1,0,1]=4 1597 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [1,1,0,0,0,0|1,0,1]=4 1598 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [1,1,0,0,0,0|1,0,1]=4 1599 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [1,1,0,0,0,0|1,0,1]=4 1600 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [1,1,0,0,0,0|1,0,1]=4 1601 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [1,1,0,0,0,0|1,0,1]=4 1602 B9R1.69 Cc1ccc(cc1Br)I TS08325 [1,1,0,0,0,0|1,0,1]=4 1603 B9R1.69 Cc1ccc(cc1Br)N TS09455 [1,1,0,0,0,0|1,0,1]=4 1604 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,1,0,0,0,0|1,0,1]=4 1605 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,1,0,0,0,0|1,0,1]=4 1606 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,1,0,0,0,0|1,0,1]=4 1607 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,1,0,0,0,0|1,0,1]=4 1608 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,1,0,0,0,0|1,0,1]=4 1609 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,1,0,0,0,0|0,0,1]=3 1610 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,1,0,0,0,0|0,1,1]=4 1611 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [1,1,0,0,0,0|1,0,1]=4 1612 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [1,1,0,0,0,0|1,0,1]=4 1613 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [1,1,0,0,0,0|1,0,1]=4 1614 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [1,1,0,0,0,0|1,0,1]=4 1615 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [1,1,0,0,0,0|0,0,1]=3 1616 B9R1.69 Cc1ccc(cc1F)Br TS16763 [1,1,0,0,0,0|1,0,1]=4 1617 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [1,1,0,0,0,0|1,0,1]=4 1618 B9R1.69 Cc1ccc(cc1F)F TS47222 [1,1,0,0,0,0|1,0,1]=4 1619 B9R1.69 Cc1ccc(cc1F)I TS02163 [1,1,0,0,0,0|1,0,1]=4 1620 B9R1.69 Cc1ccc(cc1F)N TS02755 [1,1,0,0,0,0|1,0,1]=4 1621 B9R1.69 Cc1ccc(cc1F)O TS02758 [1,1,0,0,0,0|0,0,1]=3 1622 B9R1.69 Cc1ccc(cc1F)S TS06690 [1,1,0,0,0,0|0,1,1]=4 1623 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [1,1,0,0,0,0|1,0,1]=4 1624 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [1,1,0,0,0,0|1,0,1]=4 1625 B9R1.69 Cc1ccc(cc1I)F TS60397 [1,1,0,0,0,0|1,0,1]=4 1626 B9R1.69 Cc1ccc(cc1I)N TS53418 [1,1,0,0,0,0|1,0,1]=4 1627 B9R1.69 Cc1ccc(cc1N)Br TS47394 [1,1,0,0,0,0|1,0,1]=4 1628 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [1,1,0,0,0,0|1,0,1]=4 1629 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [1,1,0,0,0,0|1,0,1]=4 1630 B9R1.69 Cc1ccc(cc1N)F TS71546 [1,1,0,0,0,0|1,0,1]=4 1631 B9R1.69 Cc1ccc(cc1N)I TS08884 [1,1,0,0,0,0|1,0,1]=4 1632 B9R1.69 Cc1ccc(cc1N)N TS32517 [1,1,0,0,0,0|1,0,1]=4 1633 B9R1.69 Cc1ccc(cc1N)O TS65470 [1,1,0,0,0,0|0,0,1]=3 1634 B9R1.69 Cc1ccc(cc1O)Br TS09797 [1,1,0,0,0,0|1,0,1]=4 1635 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [1,1,0,0,0,0|1,0,1]=4 1636 B9R1.69 Cc1ccc(cc1O)F TS65133 [1,1,0,0,0,0|1,0,1]=4 1637 B9R1.69 Cc1ccc(cc1O)O TS65139 [1,1,0,0,0,0|0,0,1]=3 1638 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,1,0,0,0,0|1,0,1]=4 1639 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,1,0,0,0,0|1,0,1]=4 1640 B9R1.69 c1c(c(cnc1O)F)Br TS17404 [1,1,0,0,0,0|2,0,0]=4 1641 B9R1.69 c1c(cnc(c1Br)Cl)O TS08391 [1,1,0,0,0,0|2,0,0]=4 1642 B9R1.69 c1c(cnc(c1Br)F)O TS17403 [1,1,0,0,0,0|2,0,0]=4 1643 B9R1.69 c1c(cnc(c1Br)N)O TS08881 [1,1,0,0,0,0|2,0,0]=4 1644 B9R1.69 c1c(cnc(c1Br)O)Br TS02570 [1,1,0,0,0,0|2,0,0]=4 1645 B9R1.69 c1c(cnc(c1Br)O)Cl TS39301 [1,1,0,0,0,0|2,0,0]=4 1646 B9R1.69 c1c(cnc(c1Br)O)F TS39708 [1,1,0,0,0,0|2,0,0]=4 1647 B9R1.69 c1c(cnc(c1Cl)Br)O TS20651 [1,1,0,0,0,0|2,0,0]=4 1648 B9R1.69 c1c(cnc(c1Cl)F)O TS65966 [1,1,0,0,0,0|2,0,0]=4 1649 B9R1.69 c1c(cnc(c1F)Cl)O TS08395 [1,1,0,0,0,0|2,0,0]=4 1650 B9R1.69 c1c(cnc(c1F)O)Cl TS85208 [1,1,0,0,0,0|2,0,0]=4 1651 B9R1.69 c1c(cnc(c1I)O)Br TS74565 [1,1,0,0,0,0|2,0,0]=4 1652 B9R1.69 c1c(cnc(c1N)O)Br TS55381 [1,1,0,0,0,0|2,0,0]=4 1653 B9R1.69 c1c(cnc(c1N)O)Br TS85461 [1,1,0,0,0,0|2,0,0]=4 1654 B9R1.69 c1c(cnc(c1N)O)Cl TS55382 [1,1,0,0,0,0|2,0,0]=4 1655 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [1,1,0,0,0,0|2,0,0]=4 1656 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [1,1,0,0,0,0|2,0,0]=4 1657 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [1,1,0,0,0,0|2,0,0]=4 1658 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [1,1,0,0,0,0|1,0,0]=3 1659 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [1,1,0,0,0,0|2,0,0]=4 1660 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [1,1,0,0,0,0|2,0,0]=4 1661 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [1,1,0,0,0,0|2,0,0]=4 1662 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [1,1,0,0,0,0|2,0,0]=4 1663 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [1,1,0,0,0,0|2,0,0]=4 1664 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [1,1,0,0,0,0|1,0,0]=3 1665 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [1,1,0,0,0,0|2,0,0]=4 1666 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [1,1,0,0,0,0|2,0,0]=4 1667 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [1,1,0,0,0,0|2,0,0]=4 1668 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [1,1,0,0,0,0|2,0,0]=4 1669 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [1,1,0,0,0,0|2,0,0]=4 1670 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [1,1,0,0,0,0|1,0,0]=3 1671 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [1,1,0,0,0,0|2,0,0]=4 1672 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [1,1,0,0,0,0|2,0,0]=4 1673 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [1,1,0,0,0,0|2,0,0]=4 1674 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [1,1,0,0,0,0|2,0,0]=4 1675 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [1,1,0,0,0,0|2,0,0]=4 1676 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [1,1,0,0,0,0|2,0,0]=4 1677 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [1,1,0,0,0,0|2,0,0]=4 1678 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [1,1,0,0,0,0|2,0,0]=4 1679 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [1,1,0,0,0,0|1,0,0]=3 1680 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [1,1,0,0,0,0|2,0,0]=4 1681 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [1,1,0,0,0,0|2,0,0]=4 1682 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [1,1,0,0,0,0|2,0,0]=4 1683 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [1,1,0,0,0,0|2,0,0]=4 1684 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [1,1,0,0,0,0|1,0,0]=3 1685 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [1,1,0,0,0,0|2,0,0]=4 1686 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [1,1,0,0,0,0|2,0,0]=4 1687 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [1,1,0,0,0,0|2,0,0]=4 1688 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [1,1,0,0,0,0|2,0,0]=4 1689 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [1,1,0,0,0,0|2,0,0]=4 1690 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [1,1,0,0,0,0|1,0,0]=3 1691 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [1,1,0,0,0,0|2,0,0]=4 1692 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [1,1,0,0,0,0|2,0,0]=4 1693 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [1,1,0,0,0,0|2,0,0]=4 1694 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [1,1,0,0,0,0|2,0,0]=4 1695 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [1,1,0,0,0,0|2,0,0]=4 1696 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [1,1,0,0,0,0|1,0,0]=3 1697 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [1,1,0,0,0,0|1,1,0]=4 1698 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [1,1,0,0,0,0|2,0,0]=4 1699 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [1,1,0,0,0,0|2,0,0]=4 1700 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [1,1,0,0,0,0|2,0,0]=4 1701 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [1,1,0,0,0,0|2,0,0]=4 1702 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [1,1,0,0,0,0|2,0,0]=4 1703 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [1,1,0,0,0,0|1,0,0]=3 1704 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [1,1,0,0,0,0|2,0,0]=4 1705 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [1,1,0,0,0,0|2,0,0]=4 1706 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [1,1,0,0,0,0|2,0,0]=4 1707 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [1,1,0,0,0,0|1,0,0]=3 1708 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [1,1,0,0,0,0|2,0,0]=4 1709 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [1,1,0,0,0,0|2,0,0]=4 1710 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [1,1,0,0,0,0|2,0,0]=4 1711 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [1,1,0,0,0,0|2,0,0]=4 1712 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [1,1,0,0,0,0|2,0,0]=4 1713 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [1,1,0,0,0,0|1,0,0]=3 1714 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [1,1,0,0,0,0|1,1,0]=4 1715 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [1,1,0,0,0,0|1,1,0]=4 1716 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [1,1,0,0,0,0|2,0,0]=4 1717 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [1,1,0,0,0,0|2,0,0]=4 1718 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [1,1,0,0,0,0|2,0,0]=4 1719 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [1,1,0,0,0,0|2,0,0]=4 1720 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [1,1,0,0,0,0|1,0,0]=3 1721 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [1,1,0,0,0,0|2,0,0]=4 1722 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [1,1,0,0,0,0|2,0,0]=4 1723 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [1,1,0,0,0,0|2,0,0]=4 1724 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [1,1,0,0,0,0|2,0,0]=4 1725 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [1,1,0,0,0,0|2,0,0]=4 1726 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [1,1,0,0,0,0|2,0,0]=4 1727 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [1,1,0,0,0,0|2,0,0]=4 1728 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [1,1,0,0,0,0|1,0,0]=3 1729 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [1,1,0,0,0,0|2,0,0]=4 1730 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [1,1,0,0,0,0|2,0,0]=4 1731 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [1,1,0,0,0,0|2,0,0]=4 1732 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [1,1,0,0,0,0|2,0,0]=4 1733 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [1,1,0,0,0,0|2,0,0]=4 1734 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [1,1,0,0,0,0|1,0,0]=3 1735 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [1,1,0,0,0,0|1,1,0]=4 1736 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [1,1,0,0,0,0|2,0,0]=4 1737 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [1,1,0,0,0,0|2,0,0]=4 1738 B9R1.69 c1cc(c(cc1F)F)F TS46768 [1,1,0,0,0,0|2,0,0]=4 1739 B9R1.69 c1cc(c(cc1F)F)I TS26444 [1,1,0,0,0,0|2,0,0]=4 1740 B9R1.69 c1cc(c(cc1F)F)N TS00627 [1,1,0,0,0,0|2,0,0]=4 1741 B9R1.69 c1cc(c(cc1F)F)O TS00636 [1,1,0,0,0,0|1,0,0]=3 1742 B9R1.69 c1cc(c(cc1F)F)S TS07912 [1,1,0,0,0,0|1,1,0]=4 1743 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [1,1,0,0,0,0|2,0,0]=4 1744 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [1,1,0,0,0,0|2,0,0]=4 1745 B9R1.69 c1cc(c(cc1F)I)F TS26443 [1,1,0,0,0,0|2,0,0]=4 1746 B9R1.69 c1cc(c(cc1F)I)I TS64595 [1,1,0,0,0,0|2,0,0]=4 1747 B9R1.69 c1cc(c(cc1F)I)N TS09698 [1,1,0,0,0,0|2,0,0]=4 1748 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [1,1,0,0,0,0|2,0,0]=4 1749 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [1,1,0,0,0,0|2,0,0]=4 1750 B9R1.69 c1cc(c(cc1F)N)F TS00672 [1,1,0,0,0,0|2,0,0]=4 1751 B9R1.69 c1cc(c(cc1F)N)I TS07832 [1,1,0,0,0,0|2,0,0]=4 1752 B9R1.69 c1cc(c(cc1F)N)N TS16670 [1,1,0,0,0,0|2,0,0]=4 1753 B9R1.69 c1cc(c(cc1F)N)O TS00753 [1,1,0,0,0,0|1,0,0]=3 1754 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [1,1,0,0,0,0|2,0,0]=4 1755 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [1,1,0,0,0,0|2,0,0]=4 1756 B9R1.69 c1cc(c(cc1F)O)F TS36449 [1,1,0,0,0,0|2,0,0]=4 1757 B9R1.69 c1cc(c(cc1F)O)N TS36211 [1,1,0,0,0,0|2,0,0]=4 1758 B9R1.69 c1cc(c(cc1F)O)O TS39506 [1,1,0,0,0,0|1,0,0]=3 1759 B9R1.69 c1cc(c(cc1F)S)F TS07211 [1,1,0,0,0,0|2,0,0]=4 1760 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [1,1,0,0,0,0|2,0,0]=4 1761 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [1,1,0,0,0,0|2,0,0]=4 1762 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [1,1,0,0,0,0|2,0,0]=4 1763 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [1,1,0,0,0,0|2,0,0]=4 1764 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [1,1,0,0,0,0|2,0,0]=4 1765 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [1,1,0,0,0,0|2,0,0]=4 1766 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [1,1,0,0,0,0|2,0,0]=4 1767 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [1,1,0,0,0,0|2,0,0]=4 1768 B9R1.69 c1cc(c(cc1I)F)F TS59549 [1,1,0,0,0,0|2,0,0]=4 1769 B9R1.69 c1cc(c(cc1I)F)I TS65285 [1,1,0,0,0,0|2,0,0]=4 1770 B9R1.69 c1cc(c(cc1I)F)N TS09293 [1,1,0,0,0,0|2,0,0]=4 1771 B9R1.69 c1cc(c(cc1I)I)I TS82497 [1,1,0,0,0,0|2,0,0]=4 1772 B9R1.69 c1cc(c(cc1I)I)N TS64466 [1,1,0,0,0,0|2,0,0]=4 1773 B9R1.69 c1cc(c(cc1I)N)F TS25996 [1,1,0,0,0,0|2,0,0]=4 1774 B9R1.69 c1cc(c(cc1I)N)N TS71178 [1,1,0,0,0,0|2,0,0]=4 1775 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [1,1,0,0,0,0|2,0,0]=4 1776 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [1,1,0,0,0,0|2,0,0]=4 1777 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [1,1,0,0,0,0|2,0,0]=4 1778 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [1,1,0,0,0,0|1,0,0]=3 1779 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [1,1,0,0,0,0|2,0,0]=4 1780 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [1,1,0,0,0,0|2,0,0]=4 1781 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [1,1,0,0,0,0|2,0,0]=4 1782 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [1,1,0,0,0,0|2,0,0]=4 1783 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [1,1,0,0,0,0|2,0,0]=4 1784 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [1,1,0,0,0,0|2,0,0]=4 1785 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [1,1,0,0,0,0|2,0,0]=4 1786 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [1,1,0,0,0,0|1,0,0]=3 1787 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [1,1,0,0,0,0|2,0,0]=4 1788 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [1,1,0,0,0,0|2,0,0]=4 1789 B9R1.69 c1cc(c(cc1N)F)F TS65749 [1,1,0,0,0,0|2,0,0]=4 1790 B9R1.69 c1cc(c(cc1N)F)I TS02749 [1,1,0,0,0,0|2,0,0]=4 1791 B9R1.69 c1cc(c(cc1N)F)O TS02963 [1,1,0,0,0,0|1,0,0]=3 1792 B9R1.69 c1cc(c(cc1N)I)N TS01065 [1,1,0,0,0,0|2,0,0]=4 1793 B9R1.69 c1cc(c(cc1N)I)O TS25670 [1,1,0,0,0,0|1,0,0]=3 1794 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [1,1,0,0,0,0|2,0,0]=4 1795 B9R1.69 c1cc(c(cc1N)N)F TS65337 [1,1,0,0,0,0|2,0,0]=4 1796 B9R1.69 c1cc(c(cc1N)N)I TS53551 [1,1,0,0,0,0|2,0,0]=4 1797 B9R1.69 c1cc(c(cc1N)N)N TS00347 [1,1,0,0,0,0|2,0,0]=4 1798 B9R1.69 c1cc(c(cc1N)N)O TS53804 [1,1,0,0,0,0|1,0,0]=3 1799 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [1,1,0,0,0,0|2,0,0]=4 1800 B9R1.69 c1cc(c(cc1N)O)O TS20087 [1,1,0,0,0,0|1,0,0]=3 1801 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [1,1,0,0,0,0|1,0,0]=3 1802 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [1,1,0,0,0,0|1,0,0]=3 1803 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [1,1,0,0,0,0|1,0,0]=3 1804 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [1,1,0,0,0,0|1,0,0]=3 1805 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [1,1,0,0,0,0|1,0,0]=3 1806 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [1,1,0,0,0,0|1,0,0]=3 1807 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [1,1,0,0,0,0|1,0,0]=3 1808 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [1,1,0,0,0,0|1,0,0]=3 1809 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [1,1,0,0,0,0|1,0,0]=3 1810 B9R1.69 c1cc(c(cc1O)F)F TS60320 [1,1,0,0,0,0|1,0,0]=3 1811 B9R1.69 c1cc(c(cc1O)F)N TS42650 [1,1,0,0,0,0|1,0,0]=3 1812 B9R1.69 c1cc(c(cc1O)F)N TS70881 [1,1,0,0,0,0|1,0,0]=3 1813 B9R1.69 c1cc(c(cc1O)F)O TS85396 [1,1,0,0,0,0|1,0,0]=3 1814 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [1,1,0,0,0,0|1,0,0]=3 1815 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [1,1,0,0,0,0|1,0,0]=3 1816 B9R1.69 c1cc(c(cc1O)N)F TS65858 [1,1,0,0,0,0|1,0,0]=3 1817 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [1,1,0,0,0,0|1,0,0]=3 1818 B9R1.69 c1cc(c(cc1O)O)F TS71140 [1,1,0,0,0,0|1,0,0]=3 1819 B9R1.69 c1cc(c(cc1O)O)N TS42356 [1,1,0,0,0,0|1,0,0]=3 1820 B9R1.69 c1cc(c(cc1O)O)O TS05134 [1,1,0,0,0,0|1,0,0]=3 1821 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [1,1,0,0,0,0|1,1,0]=4 1822 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [1,1,0,0,0,0|1,1,0]=4 1823 B9R1.69 c1cc(c(cc1S)F)F TS40406 [1,1,0,0,0,0|1,1,0]=4 1824 B9R1.69 c1cc(c(cc1S)F)N TS40078 [1,1,0,0,0,0|1,1,0]=4 1825 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [1,1,0,0,0,0|1,1,0]=4 1826 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [1,1,0,0,0,0|2,0,0]=4 1827 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [1,1,0,0,0,0|2,0,0]=4 1828 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [1,1,0,0,0,0|2,0,0]=4 1829 B9R1.69 c1cc(nc(c1O)Br)Br TS00688 [1,1,0,0,0,0|2,0,0]=4 1830 B9R1.69 c1cc(nc(c1O)I)Cl TS28821 [1,1,0,0,0,0|2,0,0]=4 1831 B9R1.21 c1cc(oc1CO)C=O TS71320 [0,1,0,0,1,0|2,0,0]=4 1832 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [0,2,0,0,0,0|1,0,0]=3 1833 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [0,2,0,0,0,0|1,0,0]=3 1834 B11R1.1 CCCCc1ccc(cc1)O TS40895 [0,2,0,0,0,0|0,0,2]=4 1835 B11R1.1 CCCOc1ccc(cc1)O TS71268 [0,2,0,0,0,0|0,0,2]=4 1836 B11R1.1 CNCCc1ccc(cc1)O TS94477 [0,2,0,0,0,0|0,0,2]=4 1837 B11R1.1 COCCc1ccc(cc1)O TS10182 [0,2,0,0,0,0|0,0,2]=4 1838 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [0,2,0,0,0,0|1,0,0]=3 1839 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [0,2,0,0,0,0|1,0,1]=4 1840 B11R1.1 Cc1ccc(cc1)NNC=O TS09888 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [0,2,0,0,0,0|1,0,0]=3 1842 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [0,2,0,0,0,0|1,0,1]=4 1843 B11R1.1 c1cc(ccc1C=CC#N)F TS07310 [0,2,0,0,0,0|1,0,0]=3 1844 B11R1.1 c1cc(ccc1C=CC#N)O TS07078 [0,2,0,0,0,0|0,0,0]=2 1845 B11R1.1 c1cc(ccc1C=CC=O)Br TS21058 [0,2,0,0,0,0|1,0,0]=3 1846 B11R1.1 c1cc(ccc1C=CC=O)Cl TS12306 [0,2,0,0,0,0|1,0,0]=3 1847 B11R1.1 c1cc(ccc1C=CC=O)F TS03090 [0,2,0,0,0,0|1,0,0]=3 1848 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [0,2,0,0,0,0|0,0,2]=4 1849 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [0,2,0,0,0,0|1,0,1]=4 1850 B11R1.1 c1cc(ccc1CCCN)O TS10075 [0,2,0,0,0,0|0,0,2]=4 1851 B11R1.1 c1cc(ccc1CCCO)O TS02185 [0,2,0,0,0,0|0,0,2]=4 1852 B11R1.1 c1cc(ccc1N)NNC=O TS10042 [0,2,0,0,0,0|2,0,0]=4 1853 B11R1.1 c1cc(ccc1NCCO)O TS10316 [0,2,0,0,0,0|0,0,2]=4 1854 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [0,2,0,0,0,0|0,0,2]=4 1855 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [0,2,0,0,0,0|0,0,2]=4 1856 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,2,0,0,0,0|1,0,1]=4 1857 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,2,0,0,0,0|1,0,1]=4 1858 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,2,0,0,0,0|1,0,1]=4 1859 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,2,0,0,0,0|0,0,1]=3 1860 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,2,0,0,0,0|0,0,2]=4 1861 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,2,0,0,0,0|1,0,1]=4 1862 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,2,0,0,0,0|1,0,1]=4 1863 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,2,0,0,0,0|1,0,1]=4 1864 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,2,0,0,0,0|1,0,1]=4 1865 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,2,0,0,0,0|1,0,1]=4 1866 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,2,0,0,0,0|0,0,1]=3 1867 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,2,0,0,0,0|0,1,1]=4 1868 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,2,0,0,0,0|1,0,1]=4 1869 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,2,0,0,0,0|1,0,1]=4 1870 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,2,0,0,0,0|1,0,1]=4 1871 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,2,0,0,0,0|1,0,1]=4 1872 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,2,0,0,0,0|1,0,1]=4 1873 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,2,0,0,0,0|1,0,1]=4 1874 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,2,0,0,0,0|1,0,1]=4 1875 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,2,0,0,0,0|1,0,1]=4 1876 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,2,0,0,0,0|2,0,0]=4 1877 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,2,0,0,0,0|1,0,1]=4 1878 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,2,0,0,0,0|2,0,0]=4 1879 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,2,0,0,0,0|2,0,0]=4 1880 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,2,0,0,0,0|1,0,1]=4 1881 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,2,0,0,0,0|2,0,0]=4 1882 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,2,0,0,0,0|2,0,0]=4 1883 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,2,0,0,0,0|1,0,1]=4 1884 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,2,0,0,0,0|1,0,1]=4 1885 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,2,0,0,0,0|1,0,1]=4 1886 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,2,0,0,0,0|1,0,1]=4 1887 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,2,0,0,0,0|1,0,1]=4 1888 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,2,0,0,0,0|0,0,1]=3 1889 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,2,0,0,0,0|1,0,1]=4 1890 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,2,0,0,0,0|1,0,1]=4 1891 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,2,0,0,0,0|1,0,1]=4 1892 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,2,0,0,0,0|1,0,1]=4 1893 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,2,0,0,0,0|1,0,1]=4 1894 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,2,0,0,0,0|0,0,1]=3 1895 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,2,0,0,0,0|0,1,1]=4 1896 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,2,0,0,0,0|1,0,1]=4 1897 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,2,0,0,0,0|2,0,0]=4 1898 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,2,0,0,0,0|2,0,0]=4 1899 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,2,0,0,0,0|2,0,0]=4 1900 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,2,0,0,0,0|2,0,0]=4 1901 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,2,0,0,0,0|2,0,0]=4 1902 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,2,0,0,0,0|2,0,0]=4 1903 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,2,0,0,0,0|2,0,0]=4 1904 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,2,0,0,0,0|2,0,0]=4 1905 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,2,0,0,0,0|2,0,0]=4 1906 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,2,0,0,0,0|2,0,0]=4 1908 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,2,0,0,0,0|1,0,0]=3 1909 B11R1.20 c1cc(ccc1O)OC(F)F TS42116 [0,2,0,0,0,0|1,0,1]=4 1910 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,2,0,0,0,0|2,0,0]=4 1911 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,2,0,0,0,0|2,0,0]=4 1912 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,2,0,0,0,0|2,0,0]=4 1913 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,2,0,0,0,0|2,0,0]=4 1914 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,2,0,0,0,0|2,0,0]=4 1915 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,2,0,0,0,0|1,0,1]=4 1916 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,2,0,0,0,0|1,0,1]=4 1917 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,2,0,0,0,0|1,0,1]=4 1918 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,2,0,0,0,0|1,0,1]=4 1919 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,2,0,0,0,0|1,0,1]=4 1920 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,2,0,0,0,0|1,0,1]=4 1921 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,2,0,0,0,0|1,0,1]=4 1922 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,2,0,0,0,0|0,0,1]=3 1923 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,2,0,0,0,0|0,0,2]=4 1924 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,2,0,0,0,0|1,0,1]=4 1925 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,2,0,0,0,0|0,0,1]=3 1926 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,2,0,0,0,0|1,0,1]=4 1927 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,2,0,0,0,0|1,0,1]=4 1928 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,2,0,0,0,0|1,0,1]=4 1929 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,2,0,0,0,0|1,0,1]=4 1930 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,2,0,0,0,0|1,0,1]=4 1931 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,2,0,0,0,0|1,0,1]=4 1932 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,2,0,0,0,0|0,0,1]=3 1933 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,2,0,0,0,0|0,0,1]=3 1934 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,2,0,0,0,0|0,0,1]=3 1935 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,2,0,0,0,0|1,0,1]=4 1936 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,2,0,0,0,0|1,0,1]=4 1937 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,2,0,0,0,0|2,0,0]=4 1938 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,2,0,0,0,0|1,0,1]=4 1939 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,2,0,0,0,0|1,0,0]=3 1940 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,2,0,0,0,0|1,0,1]=4 1941 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,2,0,0,0,0|1,0,1]=4 1942 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,2,0,0,0,0|1,0,1]=4 1943 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,2,0,0,0,0|1,0,1]=4 1944 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,2,0,0,0,0|1,0,1]=4 1945 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,2,0,0,0,0|1,0,1]=4 1946 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,2,0,0,0,0|2,0,0]=4 1947 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,2,0,0,0,0|2,0,0]=4 1948 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,2,0,0,0,0|1,0,1]=4 1949 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,2,0,0,0,0|1,0,1]=4 1950 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [0,2,0,0,0,0|2,0,0]=4 1951 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [0,2,0,0,0,0|2,0,0]=4 1952 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [0,2,0,0,0,0|2,0,0]=4 1953 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [0,2,0,0,0,0|2,0,0]=4 1954 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [0,2,0,0,0,0|2,0,0]=4 1955 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [0,2,0,0,0,0|1,0,0]=3 1956 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [0,2,0,0,0,0|1,0,1]=4 1957 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [0,2,0,0,0,0|1,0,1]=4 1958 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [0,2,0,0,0,0|1,0,1]=4 1959 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [0,2,0,0,0,0|1,0,0]=3 1960 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [0,2,0,0,0,0|1,0,0]=3 1961 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,2,0,0,0,0|1,0,0]=3 1962 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,2,0,0,0,0|1,0,0]=3 1963 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [0,2,0,0,0,0|0,0,0]=2 1964 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,2,0,0,0,0|1,0,1]=4 1965 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,2,0,0,0,0|1,0,1]=4 1966 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,2,0,0,0,0|1,0,1]=4 1967 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,2,0,0,0,0|1,0,1]=4 1968 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,2,0,0,0,0|1,0,1]=4 1969 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,2,0,0,0,0|1,0,1]=4 1970 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,2,0,0,0,0|1,0,1]=4 1971 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,2,0,0,0,0|0,0,1]=3 1972 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,2,0,0,0,0|1,0,1]=4 1973 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,2,0,0,0,0|1,0,1]=4 1974 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,2,0,0,0,0|1,0,1]=4 1975 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,2,0,0,0,0|1,0,1]=4 1976 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,2,0,0,0,0|1,0,1]=4 1977 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,2,0,0,0,0|1,0,1]=4 1978 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,2,0,0,0,0|1,0,1]=4 1979 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,2,0,0,0,0|2,0,0]=4 1980 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,2,0,0,0,0|2,0,0]=4 1981 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,2,0,0,0,0|2,0,0]=4 1982 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,2,0,0,0,0|2,0,0]=4 1983 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,2,0,0,0,0|1,0,0]=3 1984 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [0,2,0,0,0,0|1,0,0]=3 1985 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [0,2,0,0,0,0|0,0,2]=4 1986 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,2,0,0,0,0|0,0,2]=4 1987 B11R1.81 CCCc1ccc(cc1O)O TS41141 [0,2,0,0,0,0|0,0,2]=4 1988 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [0,2,0,0,0,0|2,0,0]=4 1989 B11R1.81 c1cc(c(cc1Br)F)C=NO TS49341 [0,2,0,0,0,0|2,0,0]=4 1990 B11R1.81 c1cc(c(cc1Cl)Cl)C=NO TS16282 [0,2,0,0,0,0|2,0,0]=4 1991 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [0,2,0,0,0,0|1,0,1]=4 1992 B11R1.81 c1cc(c(cc1F)F)C=NO TS41745 [0,2,0,0,0,0|2,0,0]=4 1993 B11R1.81 c1cc(c(cc1O)O)C=NO TS10291 [0,2,0,0,0,0|1,0,0]=3 1994 B11R1.83 C=Cc1ccc(cc1)N=C=S TS42333 [0,2,0,0,0,0|0,1,0]=3 1995 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [0,2,0,0,0,0|0,0,0]=2 1996 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [0,2,0,0,0,0|2,0,0]=4 1997 B11R1.83 CCCc1ccc(cc1)OC TS40915 [0,2,0,0,0,0|0,0,2]=4 1998 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [0,2,0,0,0,0|0,0,2]=4 1999 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [0,2,0,0,0,0|1,0,1]=4 2000 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [0,2,0,0,0,0|0,0,0]=2 2001 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [0,2,0,0,0,0|1,0,0]=3 2002 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [0,2,0,0,0,0|1,0,1]=4 2003 B11R1.83 CCOc1ccc(cc1)CO TS10188 [0,2,0,0,0,0|0,0,2]=4 2004 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [0,2,0,0,0,0|1,0,1]=4 2005 B11R1.83 CCSc1ccc(cc1)C=O TS12276 [0,2,0,0,0,0|1,1,0]=4 2006 B11R1.83 CCc1ccc(cc1)OCC TS40919 [0,2,0,0,0,0|0,0,2]=4 2007 B11R1.83 CNCc1ccc(cc1)OC TS03152 [0,2,0,0,0,0|0,0,2]=4 2008 B11R1.83 CNCc1ccc(cc1)OC TS03153 [0,2,0,0,0,0|0,0,2]=4 2009 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [0,2,0,0,0,0|0,0,0]=2 2010 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [0,2,0,0,0,0|0,0,0]=2 2011 B11R1.83 COc1ccc(cc1)CC#N TS39555 [0,2,0,0,0,0|0,0,2]=4 2012 B11R1.83 COc1ccc(cc1)CC=C TS07478 [0,2,0,0,0,0|0,0,0]=2 2013 B11R1.83 COc1ccc(cc1)CC=O TS09869 [0,2,0,0,0,0|0,0,1]=3 2014 B11R1.83 COc1ccc(cc1)CCCl TS12933 [0,2,0,0,0,0|0,0,2]=4 2015 B11R1.83 COc1ccc(cc1)CCO TS41151 [0,2,0,0,0,0|0,0,2]=4 2016 B11R1.83 COc1ccc(cc1)CNN TS87992 [0,2,0,0,0,0|1,0,1]=4 2017 B11R1.83 COc1ccc(cc1)CO[NH3+] TS39583 [0,2,0,0,0,0|1,0,1]=4 2018 B11R1.83 COc1ccc(cc1)C[N+]#[C-] TS07349 [0,2,0,0,0,0|0,0,2]=4 2019 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [0,2,0,0,0,0|1,0,1]=4 2020 B11R1.83 COc1ccc(cc1)N=C=S TS42930 [0,2,0,0,0,0|1,0,1]=4 2021 B11R1.83 COc1ccc(cc1)NC=O TS41013 [0,2,0,0,0,0|1,0,0]=3 2022 B11R1.83 c1cc(ccc1CCN)CO TS16390 [0,2,0,0,0,0|0,0,2]=4 2023 B11R1.192 C=CCc1ccc(c(c1)Cl)F TS45245 [0,2,0,0,0,0|1,0,0]=3 2024 B11R1.192 C=CCc1ccc(c(c1)F)Cl TS45247 [0,2,0,0,0,0|1,0,0]=3 2025 B11R1.192 C=CCc1ccc(c(c1)F)F TS10400 [0,2,0,0,0,0|1,0,0]=3 2026 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [0,2,0,0,0,0|1,0,0]=3 2027 B11R1.192 Cc1cc(ccc1O)SC#N TS42915 [0,2,0,0,0,0|1,0,1]=4 2028 B11R1.192 Cc1ccc(cc1C)C=NO TS07573 [0,2,0,0,0,0|2,0,0]=4 2029 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [0,2,0,0,0,0|1,0,0]=3 2030 B11R1.192 c1cc(c(cc1C=NO)Br)F TS49338 [0,2,0,0,0,0|2,0,0]=4 2031 B11R1.192 c1cc(c(cc1C=NO)Cl)Cl TS16278 [0,2,0,0,0,0|2,0,0]=4 2032 B11R1.192 c1cc(c(cc1C=NO)F)Cl TS45697 [0,2,0,0,0,0|2,0,0]=4 2033 B11R1.192 c1cc(c(cc1C=NO)O)O TS41241 [0,2,0,0,0,0|1,0,0]=3 2034 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [0,2,0,0,0,0|0,0,2]=4 2035 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [0,2,0,0,0,0|0,0,2]=4 2036 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [0,2,0,0,0,0|0,0,2]=4 2037 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [0,2,0,0,0,0|0,0,2]=4 2038 B11R1.3 B(c1ccc(cc1)C#N)(O)O TS03065 [0,2,0,0,0,0|1,0,1]=4 2039 B11R1.3 B(c1ccc(cc1)C=C)(O)O TS07399 [0,2,0,0,0,0|0,0,0]=2 2040 B11R1.3 B(c1ccc(cc1)C=O)(O)O TS85495 [0,2,0,0,0,0|1,0,0]=3 2041 B11R1.3 B(c1ccc(cc1)CBr)(O)O TS16901 [0,2,0,0,0,0|1,0,1]=4 2042 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [0,2,0,0,0,0|0,0,2]=4 2043 B11R1.3 B(c1ccc(cc1)CCl)(O)O TS45216 [0,2,0,0,0,0|1,0,1]=4 2044 B11R1.3 B(c1ccc(cc1)CN)(O)O TS08871 [0,2,0,0,0,0|1,0,1]=4 2045 B11R1.3 B(c1ccc(cc1)CN)(O)O TS40961 [0,2,0,0,0,0|1,0,1]=4 2046 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [0,2,0,0,0,0|1,0,1]=4 2047 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [0,2,0,0,0,0|1,0,1]=4 2048 B11R1.3 B(c1ccc(cc1)SC)(O)O TS70787 [0,2,0,0,0,0|1,0,1]=4 2049 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [0,2,0,0,0,0|0,0,2]=4 2050 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,2,0,0,0,0|0,0,0]=2 2051 B11R1.3 C=Cc1ccc(cc1)S(=O)[O-] TS17059 [0,2,0,0,0,0|0,0,1]=3 2052 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,2,0,0,0,0|0,0,1]=3 2053 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,2,0,0,0,0|1,0,1]=4 2054 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,2,0,0,0,0|1,0,1]=4 2055 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,2,0,0,0,0|0,0,1]=3 2056 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,2,0,0,0,0|0,0,2]=4 2057 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,2,0,0,0,0|0,0,1]=3 2058 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,2,0,0,0,0|0,1,1]=4 2059 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,2,0,0,0,0|1,0,1]=4 2060 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,2,0,0,0,0|1,0,1]=4 2061 B11R1.3 CC(C)c1ccc(cc1)C=C TS07267 [0,2,0,0,0,0|1,0,0]=3 2062 B11R1.3 CC(C)c1ccc(cc1)C=O TS09730 [0,2,0,0,0,0|2,0,0]=4 2063 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [0,2,0,0,0,0|0,0,2]=4 2064 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [0,2,0,0,0,0|0,0,2]=4 2065 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,2,0,0,0,0|0,0,2]=4 2066 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,2,0,0,0,0|1,0,1]=4 2067 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,2,0,0,0,0|2,0,0]=4 2068 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,2,0,0,0,0|2,0,0]=4 2069 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,2,0,0,0,0|0,0,2]=4 2070 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,2,0,0,0,0|2,0,0]=4 2071 B11R1.3 CN(C)c1ccc(cc1)C=O TS70774 [0,2,0,0,0,0|2,0,0]=4 2072 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [0,2,0,0,0,0|1,0,1]=4 2073 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,2,0,0,0,0|1,0,1]=4 2074 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,2,0,0,0,0|1,0,0]=3 2075 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,2,0,0,0,0|1,0,0]=3 2076 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,2,0,0,0,0|1,0,0]=3 2077 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,2,0,0,0,0|1,0,0]=3 2078 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,2,0,0,0,0|1,0,0]=3 2079 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,2,0,0,0,0|1,0,0]=3 2080 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,2,0,0,0,0|2,0,0]=4 2081 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,2,0,0,0,0|2,0,0]=4 2082 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [0,2,0,0,0,0|2,0,0]=4 2083 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,2,0,0,0,0|2,0,0]=4 2084 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,2,0,0,0,0|1,0,1]=4 2085 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [0,2,0,0,0,0|0,0,2]=4 2086 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [0,2,0,0,0,0|1,0,1]=4 2087 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [0,2,0,0,0,0|1,0,1]=4 2088 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [0,2,0,0,0,0|2,0,0]=4 2089 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [0,2,0,0,0,0|2,0,0]=4 2090 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [0,2,0,0,0,0|1,0,1]=4 2091 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [0,2,0,0,0,0|2,0,0]=4 2092 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [0,2,0,0,0,0|2,0,0]=4 2093 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [0,2,0,0,0,0|2,0,0]=4 2094 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [0,2,0,0,0,0|1,0,0]=3 2095 B11R1.3 c1cc(ccc1C=O)C(=N)N TS15395 [0,2,0,0,0,0|1,0,1]=4 2096 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,2,0,0,0,0|1,0,0]=3 2097 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] TS09745 [0,2,0,0,0,0|1,0,1]=4 2098 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,2,0,0,0,0|1,0,1]=4 2099 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,2,0,0,0,0|2,0,0]=4 2100 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,2,0,0,0,0|1,0,1]=4 2101 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,2,0,0,0,0|2,0,0]=4 2102 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,2,0,0,0,0|2,0,0]=4 2103 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,2,0,0,0,0|1,0,1]=4 2104 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,2,0,0,0,0|1,0,0]=3 2105 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [0,2,0,0,0,0|2,0,0]=4 2106 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [0,2,0,0,0,0|2,0,0]=4 2107 B11R1.279 CNc1ccc(cc1N)OC TS10200 [0,2,0,0,0,0|1,0,1]=4 2108 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [0,2,0,0,0,0|2,0,0]=4 2109 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [0,2,0,0,0,0|2,0,0]=4 2110 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [0,2,0,0,0,0|1,0,1]=4 2111 B11R1.279 COc1ccc(c(c1)Cl)C#N TS09276 [0,2,0,0,0,0|1,0,1]=4 2112 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [0,2,0,0,0,0|1,0,1]=4 2113 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [0,2,0,0,0,0|1,0,1]=4 2114 B11R1.279 COc1ccc(c(c1)F)C#N TS55335 [0,2,0,0,0,0|1,0,1]=4 2115 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [0,2,0,0,0,0|1,0,0]=3 2116 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [0,2,0,0,0,0|1,0,1]=4 2117 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [0,2,0,0,0,0|1,0,1]=4 2118 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [0,2,0,0,0,0|1,0,1]=4 2119 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [0,2,0,0,0,0|1,0,1]=4 2120 B11R1.279 COc1ccc(c(c1)N)C#N TS47403 [0,2,0,0,0,0|1,0,1]=4 2121 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [0,2,0,0,0,0|1,0,1]=4 2122 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [0,2,0,0,0,0|1,0,0]=3 2123 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [0,2,0,0,0,0|1,0,1]=4 2124 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [0,2,0,0,0,0|1,0,1]=4 2125 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [0,2,0,0,0,0|1,0,1]=4 2126 B11R1.279 COc1ccc(cc1Br)C#N TS09329 [0,2,0,0,0,0|1,0,1]=4 2127 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [0,2,0,0,0,0|1,0,0]=3 2128 B11R1.279 COc1ccc(cc1Br)CN TS21977 [0,2,0,0,0,0|1,0,1]=4 2129 B11R1.279 COc1ccc(cc1Br)CO TS59850 [0,2,0,0,0,0|1,0,1]=4 2130 B11R1.279 COc1ccc(cc1Cl)C#N TS32933 [0,2,0,0,0,0|1,0,1]=4 2131 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [0,2,0,0,0,0|1,0,0]=3 2132 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [0,2,0,0,0,0|1,0,1]=4 2133 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [0,2,0,0,0,0|1,0,1]=4 2134 B11R1.279 COc1ccc(cc1F)C#N TS40985 [0,2,0,0,0,0|1,0,1]=4 2135 B11R1.279 COc1ccc(cc1F)CBr TS65514 [0,2,0,0,0,0|1,0,1]=4 2136 B11R1.279 COc1ccc(cc1F)CN TS41508 [0,2,0,0,0,0|1,0,1]=4 2137 B11R1.279 COc1ccc(cc1F)CO TS41603 [0,2,0,0,0,0|1,0,1]=4 2138 B11R1.279 COc1ccc(cc1F)[Mg]Br TS52886 [0,2,0,0,0,0|2,0,0]=4 2139 B11R1.279 COc1ccc(cc1I)C=O TS08986 [0,2,0,0,0,0|1,0,0]=3 2140 B11R1.279 COc1ccc(cc1O)C#N TS70607 [0,2,0,0,0,0|1,0,1]=4 2141 B11R1.279 COc1ccc(cc1O)C=O TS70606 [0,2,0,0,0,0|1,0,0]=3 2142 B11R1.279 COc1ccc(cc1O)CN TS16250 [0,2,0,0,0,0|1,0,1]=4 2143 B11R1.279 COc1ccc(cc1O)CO TS10408 [0,2,0,0,0,0|1,0,1]=4 2144 B11R1.279 Cc1cc(ccc1C#C)OC TS07228 [0,2,0,0,0,0|0,0,2]=4 2145 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [0,2,0,0,0,0|1,0,0]=3 2146 B11R1.279 Cc1cc(ccc1NN)OC TS16092 [0,2,0,0,0,0|2,0,0]=4 2147 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [0,2,0,0,0,0|1,0,0]=3 2148 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [0,2,0,0,0,0|1,0,1]=4 2149 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [0,2,0,0,0,0|1,0,1]=4 2150 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [0,2,0,0,0,0|1,0,1]=4 2151 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [0,2,0,0,0,0|1,0,1]=4 2152 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.279 c1cc(c(cc1C#N)F)C=O TS71087 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.279 c1cc(c(cc1C#N)F)CO TS09373 [0,2,0,0,0,0|1,0,1]=4 2155 B11R1.279 c1cc(c(cc1C=O)F)C#N TS39660 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [0,2,0,0,0,0|1,0,1]=4 2157 B11R1.19 CC(C)(C)c1ccc(cc1)O TS09914 [0,2,0,0,0,0|0,0,2]=4 2158 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [0,2,0,0,0,0|1,0,1]=4 2159 B11R1.19 [B-](c1ccc(cc1)O)(F)(F)F TS94621 [0,2,0,0,0,0|2,0,0]=4 2160 B11R1.19 c1cc(ccc1C(F)(F)F)O TS71303 [0,2,0,0,0,0|1,0,1]=4 2161 B11R1.19 c1cc(ccc1O)S(=O)(=O)N TS45617 [0,2,0,0,0,0|2,0,0]=4 2162 B11R1.19 c1cc(ccc1O)S(=O)(=O)O TS13461 [0,2,0,0,0,0|2,0,0]=4 2163 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS18192 [0,2,0,0,0,0|2,0,0]=4 2164 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS67381 [0,2,0,0,0,0|2,0,0]=4 2165 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS72457 [0,2,0,0,0,0|2,0,0]=4 2166 B11R1.19 c1cc(ccc1O)[As](=O)(O)O TS49348 [0,2,0,0,0,0|2,0,0]=4 2167 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O TS13248 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.21 B(c1ccc(c(c1)F)O)(O)O TS02041 [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,2,0,0,0,0|1,0,1]=4 2170 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,2,0,0,0,0|1,0,1]=4 2171 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,2,0,0,0,0|1,0,1]=4 2172 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,2,0,0,0,0|1,0,1]=4 2173 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,2,0,0,0,0|1,0,1]=4 2174 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,2,0,0,0,0|0,0,1]=3 2175 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,2,0,0,0,0|1,0,1]=4 2176 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,2,0,0,0,0|1,0,1]=4 2177 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,2,0,0,0,0|0,0,1]=3 2178 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,2,0,0,0,0|1,0,1]=4 2179 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,2,0,0,0,0|1,0,1]=4 2180 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,2,0,0,0,0|0,0,1]=3 2181 B11R1.21 CC(C)c1ccc(c(c1)N)O TS41038 [0,2,0,0,0,0|0,0,2]=4 2182 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [0,2,0,0,0,0|0,0,2]=4 2183 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,2,0,0,0,0|2,0,0]=4 2185 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,2,0,0,0,0|1,0,1]=4 2186 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,2,0,0,0,0|2,0,0]=4 2187 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,2,0,0,0,0|1,0,1]=4 2188 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [0,2,0,0,0,0|2,0,0]=4 2189 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [0,2,0,0,0,0|2,0,0]=4 2190 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,2,0,0,0,0|2,0,0]=4 2191 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,2,0,0,0,0|2,0,0]=4 2192 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,2,0,0,0,0|2,0,0]=4 2193 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,2,0,0,0,0|0,0,1]=3 2194 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,2,0,0,0,0|1,0,0]=3 2195 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [0,2,0,0,0,0|2,0,0]=4 2196 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,2,0,0,0,0|1,0,1]=4 2197 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,2,0,0,0,0|2,0,0]=4 2198 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,2,0,0,0,0|2,0,0]=4 2199 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,2,0,0,0,0|2,0,0]=4 2200 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,2,0,0,0,0|2,0,0]=4 2201 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,2,0,0,0,0|1,0,1]=4 2202 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,2,0,0,0,0|2,0,0]=4 2203 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,2,0,0,0,0|2,0,0]=4 2204 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,2,0,0,0,0|2,0,0]=4 2205 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,2,0,0,0,0|2,0,0]=4 2206 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,2,0,0,0,0|2,0,0]=4 2207 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,2,0,0,0,0|2,0,0]=4 2208 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,2,0,0,0,0|2,0,0]=4 2209 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,2,0,0,0,0|1,0,1]=4 2210 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,2,0,0,0,0|2,0,0]=4 2211 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,2,0,0,0,0|2,0,0]=4 2212 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,2,0,0,0,0|2,0,0]=4 2213 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,2,0,0,0,0|2,0,0]=4 2214 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,2,0,0,0,0|2,0,0]=4 2215 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,2,0,0,0,0|2,0,0]=4 2216 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,2,0,0,0,0|1,0,1]=4 2217 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,2,0,0,0,0|2,0,0]=4 2218 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [0,2,0,0,0,0|2,0,0]=4 2219 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [0,2,0,0,0,0|2,0,0]=4 2220 B11R1.21 c1cc(c(cc1C(=N)N)Br)F TS28516 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS20682 [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS45558 [0,2,0,0,0,0|2,0,0]=4 2223 B11R1.21 c1cc(c(cc1C(=N)N)F)Br TS22165 [0,2,0,0,0,0|2,0,0]=4 2224 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS10659 [0,2,0,0,0,0|2,0,0]=4 2225 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS17575 [0,2,0,0,0,0|2,0,0]=4 2226 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [0,2,0,0,0,0|2,0,0]=4 2229 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [0,2,0,0,0,0|2,0,0]=4 2230 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [0,2,0,0,0,0|2,0,0]=4 2233 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [0,2,0,0,0,0|2,0,0]=4 2234 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [0,2,0,0,0,0|2,0,0]=4 2235 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [0,2,0,0,0,0|1,0,0]=3 2237 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [0,2,0,0,0,0|1,0,0]=3 2241 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [0,2,0,0,0,0|2,0,0]=4 2242 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [0,2,0,0,0,0|2,0,0]=4 2243 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [0,2,0,0,0,0|2,0,0]=4 2244 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [0,2,0,0,0,0|2,0,0]=4 2245 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [0,2,0,0,0,0|1,0,0]=3 2246 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [0,2,0,0,0,0|2,0,0]=4 2247 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [0,2,0,0,0,0|2,0,0]=4 2248 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [0,2,0,0,0,0|2,0,0]=4 2249 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [0,2,0,0,0,0|2,0,0]=4 2250 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [0,2,0,0,0,0|2,0,0]=4 2251 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [0,2,0,0,0,0|1,0,0]=3 2252 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [0,2,0,0,0,0|2,0,0]=4 2253 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [0,2,0,0,0,0|2,0,0]=4 2254 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [0,2,0,0,0,0|2,0,0]=4 2255 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [0,2,0,0,0,0|1,0,0]=3 2257 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [0,2,0,0,0,0|2,0,0]=4 2258 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [0,2,0,0,0,0|2,0,0]=4 2262 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [0,2,0,0,0,0|1,0,0]=3 2263 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [0,2,0,0,0,0|2,0,0]=4 2264 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [0,2,0,0,0,0|2,0,0]=4 2265 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [0,2,0,0,0,0|2,0,0]=4 2266 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [0,2,0,0,0,0|2,0,0]=4 2267 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [0,2,0,0,0,0|1,0,0]=3 2269 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [0,2,0,0,0,0|2,0,0]=4 2270 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [0,2,0,0,0,0|2,0,0]=4 2271 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [0,2,0,0,0,0|1,0,0]=3 2272 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl TS38924 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.21 c1cc(c(cc1C(=S)N)Cl)F TS16258 [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O TS55107 [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O TS00892 [0,2,0,0,0,0|2,0,0]=4 2276 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O TS02010 [0,2,0,0,0,0|2,0,0]=4 2277 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS00757 [0,2,0,0,0,0|2,0,0]=4 2278 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS13773 [0,2,0,0,0,0|2,0,0]=4 2279 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [0,2,0,0,0,0|2,0,0]=4 2280 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [0,2,0,0,0,0|2,0,0]=4 2281 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,2,0,0,0,0|1,0,1]=4 2282 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,2,0,0,0,0|1,0,1]=4 2283 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,2,0,0,0,0|1,0,1]=4 2284 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,2,0,0,0,0|1,0,1]=4 2285 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,2,0,0,0,0|0,0,1]=3 2286 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,2,0,0,0,0|1,0,1]=4 2287 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,2,0,0,0,0|1,0,1]=4 2288 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,2,0,0,0,0|1,0,1]=4 2289 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,2,0,0,0,0|1,0,1]=4 2290 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,2,0,0,0,0|0,0,1]=3 2291 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,2,0,0,0,0|0,0,1]=3 2292 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,2,0,0,0,0|1,0,1]=4 2293 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,2,0,0,0,0|1,0,1]=4 2294 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,2,0,0,0,0|1,0,1]=4 2295 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,2,0,0,0,0|0,0,1]=3 2296 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,2,0,0,0,0|1,0,1]=4 2297 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,2,0,0,0,0|1,0,1]=4 2298 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,2,0,0,0,0|0,0,1]=3 2299 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,2,0,0,0,0|2,0,0]=4 2300 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,2,0,0,0,0|2,0,0]=4 2301 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,2,0,0,0,0|2,0,0]=4 2302 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,2,0,0,0,0|2,0,0]=4 2303 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,2,0,0,0,0|2,0,0]=4 2304 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,2,0,0,0,0|1,0,0]=3 2305 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,2,0,0,0,0|0,0,2]=4 2306 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [0,2,0,0,0,0|2,0,0]=4 2307 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,2,0,0,0,0|2,0,0]=4 2308 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,2,0,0,0,0|1,0,1]=4 2309 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,2,0,0,0,0|2,0,0]=4 2310 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,2,0,0,0,0|2,0,0]=4 2311 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,2,0,0,0,0|2,0,0]=4 2312 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,2,0,0,0,0|2,0,0]=4 2313 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,2,0,0,0,0|2,0,0]=4 2314 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,2,0,0,0,0|1,0,1]=4 2316 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,2,0,0,0,0|2,0,0]=4 2317 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,2,0,0,0,0|2,0,0]=4 2318 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,2,0,0,0,0|2,0,0]=4 2319 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,2,0,0,0,0|2,0,0]=4 2320 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,2,0,0,0,0|2,0,0]=4 2321 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,2,0,0,0,0|2,0,0]=4 2322 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,2,0,0,0,0|2,0,0]=4 2323 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,2,0,0,0,0|2,0,0]=4 2324 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,2,0,0,0,0|2,0,0]=4 2325 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,2,0,0,0,0|2,0,0]=4 2326 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,2,0,0,0,0|2,0,0]=4 2327 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,2,0,0,0,0|2,0,0]=4 2328 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,2,0,0,0,0|2,0,0]=4 2329 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,2,0,0,0,0|2,0,0]=4 2330 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,2,0,0,0,0|2,0,0]=4 2331 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,2,0,0,0,0|2,0,0]=4 2333 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,2,0,0,0,0|2,0,0]=4 2334 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,2,0,0,0,0|2,0,0]=4 2335 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,2,0,0,0,0|2,0,0]=4 2336 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,2,0,0,0,0|2,0,0]=4 2338 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,2,0,0,0,0|2,0,0]=4 2339 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,2,0,0,0,0|2,0,0]=4 2340 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,2,0,0,0,0|2,0,0]=4 2341 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,2,0,0,0,0|2,0,0]=4 2342 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,2,0,0,0,0|2,0,0]=4 2343 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,2,0,0,0,0|2,0,0]=4 2344 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,2,0,0,0,0|2,0,0]=4 2345 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,2,0,0,0,0|2,0,0]=4 2346 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,2,0,0,0,0|2,0,0]=4 2347 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,2,0,0,0,0|2,0,0]=4 2348 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,2,0,0,0,0|2,0,0]=4 2349 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,2,0,0,0,0|2,0,0]=4 2350 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,2,0,0,0,0|2,0,0]=4 2351 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,2,0,0,0,0|2,0,0]=4 2352 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,2,0,0,0,0|2,0,0]=4 2353 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,2,0,0,0,0|2,0,0]=4 2354 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,2,0,0,0,0|2,0,0]=4 2355 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,2,0,0,0,0|2,0,0]=4 2356 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,2,0,0,0,0|2,0,0]=4 2357 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,2,0,0,0,0|2,0,0]=4 2358 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,2,0,0,0,0|2,0,0]=4 2359 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,2,0,0,0,0|2,0,0]=4 2360 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,2,0,0,0,0|2,0,0]=4 2361 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,2,0,0,0,0|2,0,0]=4 2362 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,2,0,0,0,0|2,0,0]=4 2363 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,2,0,0,0,0|2,0,0]=4 2364 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,2,0,0,0,0|2,0,0]=4 2365 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,2,0,0,0,0|2,0,0]=4 2366 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,2,0,0,0,0|1,0,0]=3 2367 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [0,2,0,0,0,0|2,0,0]=4 2368 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,2,0,0,0,0|1,0,0]=3 2369 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,2,0,0,0,0|1,0,0]=3 2370 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,2,0,0,0,0|2,0,0]=4 2371 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,2,0,0,0,0|2,0,0]=4 2372 B11R1.37 COc1cc(ccc1C=O)F TS09700 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.37 COc1cc(ccc1C=O)O TS71152 [0,2,0,0,0,0|1,0,0]=3 2374 B11R1.37 COc1ccc(cc1OC)O TS65454 [0,2,0,0,0,0|1,0,1]=4 2375 B11R1.37 c1cc(c(cc1F)C#N)C=O TS40714 [0,2,0,0,0,0|2,0,0]=4 2376 B11R1.37 c1cc(c(cc1O)C#N)C#N TS40153 [0,2,0,0,0,0|1,0,1]=4 2377 B11R1.277 COC1=CC(=O)C(=CC1=O)O TS10384 [0,2,0,0,0,0|1,0,1]=4 2378 B11R1.277 Cc1cc(c(cc1Br)F)C=O TS16761 [0,2,0,0,0,0|2,0,0]=4 2379 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [0,2,0,0,0,0|2,0,0]=4 2380 B11R1.277 Cc1cc(c(cc1C=O)F)Br TS39472 [0,2,0,0,0,0|2,0,0]=4 2381 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [0,2,0,0,0,0|2,0,0]=4 2382 B11R1.277 Cc1cc(c(cc1O)C)C#N TS40538 [0,2,0,0,0,0|1,0,1]=4 2383 B11R1.277 Cc1cc(c(cc1O)C)C=O TS71150 [0,2,0,0,0,0|1,0,0]=3 2384 B11R1.277 c1c(c(cc(c1Br)F)O)C=O TS49543 [0,2,0,0,0,0|2,0,0]=4 2385 B11R1.277 c1c(c(cc(c1Br)O)Br)C=O TS54282 [0,2,0,0,0,0|1,0,0]=3 2386 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O TS16794 [0,2,0,0,0,0|2,0,0]=4 2387 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O TS17601 [0,2,0,0,0,0|2,0,0]=4 2388 B11R1.277 c1c(c(cc(c1F)Cl)F)C=O TS65125 [0,2,0,0,0,0|2,0,0]=4 2389 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O TS60274 [0,2,0,0,0,0|2,0,0]=4 2390 B11R1.277 c1c(c(cc(c1F)F)F)C=O TS00581 [0,2,0,0,0,0|2,0,0]=4 2391 B11R1.277 c1c(c(cc(c1O)O)O)C=O TS10388 [0,2,0,0,0,0|1,0,0]=3 2392 B11R1.278 COc1ccc(c(c1F)F)O TS42117 [0,2,0,0,0,0|1,0,1]=4 2393 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [0,2,0,0,0,0|2,0,0]=4 2394 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [0,2,0,0,0,0|2,0,0]=4 2395 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [0,2,0,0,0,0|1,0,0]=3 2396 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [0,2,0,0,0,0|2,0,0]=4 2397 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [0,2,0,0,0,0|2,0,0]=4 2398 B11R1.278 c1cc(c(c(c1C#N)F)F)O TS02334 [0,2,0,0,0,0|1,0,1]=4 2399 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [0,2,0,0,0,0|1,0,1]=4 2400 B11R1.278 c1cc(c(c(c1C=O)Cl)Cl)O TS60227 [0,2,0,0,0,0|1,0,0]=3 2401 B11R1.278 c1cc(c(c(c1C=O)F)Cl)F TS13933 [0,2,0,0,0,0|2,0,0]=4 2402 B11R1.278 c1cc(c(c(c1C=O)F)F)Br TS23219 [0,2,0,0,0,0|2,0,0]=4 2403 B11R1.278 c1cc(c(c(c1C=O)F)F)F TS00532 [0,2,0,0,0,0|2,0,0]=4 2404 B11R1.278 c1cc(c(c(c1C=O)F)F)I TS30479 [0,2,0,0,0,0|2,0,0]=4 2405 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [0,2,0,0,0,0|1,0,0]=3 2406 B11R1.464 Cc1cc(c(c(c1)C)C=C)C TS40457 [0,2,0,0,0,0|1,0,0]=3 2407 B11R1.464 Cc1cc(c(c(c1)C)C=O)C TS07475 [0,2,0,0,0,0|2,0,0]=4 2408 B11R1.464 Cc1cc(c(c(c1)O)C=O)O TS10138 [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.464 Cc1cc(cc(c1C#N)C)O TS39511 [0,2,0,0,0,0|1,0,1]=4 2410 B11R1.464 Cc1cc(cc(c1C=O)Br)F TS22164 [0,2,0,0,0,0|2,0,0]=4 2411 B11R1.464 Cc1cc(cc(c1C=O)C)F TS10164 [0,2,0,0,0,0|2,0,0]=4 2412 B11R1.464 Cc1cc(cc(c1C=O)C)O TS71151 [0,2,0,0,0,0|1,0,0]=3 2413 B11R1.464 Cc1cc(cc(c1CN)C)O TS41035 [0,2,0,0,0,0|1,0,1]=4 2414 B11R1.464 Cc1cc(cc(c1CO)C)O TS10183 [0,2,0,0,0,0|1,0,1]=4 2415 B11R1.464 Cc1cc(cc(c1SC)C)O TS02601 [0,2,0,0,0,0|1,0,1]=4 2416 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)O TS17216 [0,2,0,0,0,0|1,0,0]=3 2417 B11R1.464 c1c(cc(c(c1F)C#N)F)O TS02607 [0,2,0,0,0,0|1,0,1]=4 2418 B11R1.464 c1c(cc(c(c1F)C=O)F)Br TS16925 [0,2,0,0,0,0|2,0,0]=4 2419 B11R1.464 c1c(cc(c(c1F)C=O)F)F TS00595 [0,2,0,0,0,0|2,0,0]=4 2420 B11R1.464 c1c(cc(c(c1O)C=O)Cl)Cl TS17217 [0,2,0,0,0,0|2,0,0]=4 2421 B11R1.464 c1c(cc(c(c1O)C=O)O)O TS59918 [0,2,0,0,0,0|1,0,0]=3 2422 B11R1.14 COc1cc(c(c(c1)Br)O)N TS01768 [0,2,0,0,0,0|1,0,1]=4 2423 B11R1.14 COc1cc(c(c(c1)Br)O)N TS28695 [0,2,0,0,0,0|1,0,1]=4 2424 B11R1.14 Cc1cc(cc(c1Br)C)C=O TS09568 [0,2,0,0,0,0|2,0,0]=4 2425 B11R1.14 Cc1cc(cc(c1O)C)C#N TS02367 [0,2,0,0,0,0|1,0,1]=4 2426 B11R1.14 Cc1cc(cc(c1O)C)C=O TS40860 [0,2,0,0,0,0|1,0,0]=3 2427 B11R1.14 Cc1cc(cc(c1O)C)N=O TS40998 [0,2,0,0,0,0|2,0,0]=4 2428 B11R1.14 Cc1cc(cc(c1O)Cl)C#N TS85977 [0,2,0,0,0,0|1,0,1]=4 2429 B11R1.14 c1c(cc(c(c1Br)O)Br)C#N TS02572 [0,2,0,0,0,0|1,0,1]=4 2430 B11R1.14 c1c(cc(c(c1Br)O)Br)C=O TS34165 [0,2,0,0,0,0|1,0,0]=3 2431 B11R1.14 c1c(cc(c(c1Br)O)Br)CN TS34270 [0,2,0,0,0,0|1,0,1]=4 2432 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C#N TS15898 [0,2,0,0,0,0|1,0,1]=4 2433 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C=O TS17214 [0,2,0,0,0,0|1,0,0]=3 2434 B11R1.14 c1c(cc(c(c1F)F)F)C=O TS02517 [0,2,0,0,0,0|2,0,0]=4 2435 B11R1.14 c1c(cc(c(c1F)O)F)C=O TS02196 [0,2,0,0,0,0|1,0,0]=3 2436 B11R1.14 c1c(cc(c(c1I)O)I)C#N TS66853 [0,2,0,0,0,0|1,0,1]=4 2437 B11R1.14 c1c(cc(c(c1I)O)I)C=O TS66954 [0,2,0,0,0,0|1,0,0]=3 2438 B11R1.14 c1c(cc(c(c1O)O)Br)C=O TS22885 [0,2,0,0,0,0|1,0,0]=3 2439 B11R1.14 c1c(cc(c(c1O)O)Cl)C=O TS13253 [0,2,0,0,0,0|1,0,0]=3 2440 B11R1.280 CCc1ccc(c(c1)C=O)O TS65157 [0,2,0,0,0,0|0,0,2]=4 2441 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [0,2,0,0,0,0|0,0,2]=4 2442 B11R1.280 COc1cc(ccc1F)C=O TS02813 [0,2,0,0,0,0|2,0,0]=4 2443 B11R1.280 COc1cc(ccc1O)C#N TS03114 [0,2,0,0,0,0|1,0,1]=4 2444 B11R1.280 COc1cc(ccc1O)C=C TS40861 [0,2,0,0,0,0|0,0,0]=2 2445 B11R1.280 COc1cc(ccc1O)C=O TS02812 [0,2,0,0,0,0|1,0,0]=3 2446 B11R1.280 COc1cc(ccc1O)CN TS16249 [0,2,0,0,0,0|1,0,1]=4 2447 B11R1.280 COc1cc(ccc1O)CO TS10411 [0,2,0,0,0,0|1,0,1]=4 2448 B11R1.280 COc1ccc(c(c1)C#N)O TS07543 [0,2,0,0,0,0|1,0,1]=4 2449 B11R1.280 COc1ccc(c(c1)C=O)O TS10130 [0,2,0,0,0,0|1,0,1]=4 2450 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [0,2,0,0,0,0|1,0,1]=4 2451 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.280 c1cc(c(cc1C#N)C=O)O TS00152 [0,2,0,0,0,0|1,0,1]=4 2453 B11R1.280 c1cc(c(cc1C=O)C#N)F TS09714 [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [0,2,0,0,0,0|1,0,0]=3 2455 B11R1.280 c1cc(c(cc1CCl)C=O)O TS12923 [0,2,0,0,0,0|1,0,1]=4 2456 B9R1.3 Cc1c(cccc1F)O TS70572 [0,0,1,1,0,0|1,0,1]=4 2457 B9R1.3 Cc1c(cccc1O)N TS02637 [0,0,1,1,0,0|1,0,1]=4 2458 B9R1.3 Cc1c(cccc1O)O TS32599 [0,0,1,1,0,0|1,0,1]=4 2459 B9R1.3 Cc1cccc(c1C)O TS07901 [0,0,1,1,0,0|0,0,2]=4 2460 B9R1.3 Cc1cccc(c1F)O TS08401 [0,0,1,1,0,0|1,0,1]=4 2461 B9R1.3 Cc1cccc(c1N)O TS47377 [0,0,1,1,0,0|1,0,1]=4 2462 B9R1.3 Cc1cccc(c1O)O TS32601 [0,0,1,1,0,0|1,0,1]=4 2463 B9R1.3 c1cc(c(c(c1)Br)Br)O TS63062 [0,0,1,1,0,0|2,0,0]=4 2464 B9R1.3 c1cc(c(c(c1)Br)Cl)O TS65078 [0,0,1,1,0,0|2,0,0]=4 2465 B9R1.3 c1cc(c(c(c1)Br)I)O TS58872 [0,0,1,1,0,0|2,0,0]=4 2466 B9R1.3 c1cc(c(c(c1)Br)N)O TS08284 [0,0,1,1,0,0|2,0,0]=4 2467 B9R1.3 c1cc(c(c(c1)Cl)Br)O TS43335 [0,0,1,1,0,0|2,0,0]=4 2468 B9R1.3 c1cc(c(c(c1)Cl)Cl)O TS07896 [0,0,1,1,0,0|2,0,0]=4 2469 B9R1.3 c1cc(c(c(c1)Cl)F)O TS65486 [0,0,1,1,0,0|2,0,0]=4 2470 B9R1.3 c1cc(c(c(c1)Cl)I)O TS67648 [0,0,1,1,0,0|2,0,0]=4 2471 B9R1.3 c1cc(c(c(c1)F)Br)O TS08300 [0,0,1,1,0,0|2,0,0]=4 2472 B9R1.3 c1cc(c(c(c1)F)Cl)O TS55192 [0,0,1,1,0,0|2,0,0]=4 2473 B9R1.3 c1cc(c(c(c1)F)F)O TS00559 [0,0,1,1,0,0|2,0,0]=4 2474 B9R1.3 c1cc(c(c(c1)F)I)O TS57022 [0,0,1,1,0,0|2,0,0]=4 2475 B9R1.3 c1cc(c(c(c1)F)O)O TS70596 [0,0,1,1,0,0|2,0,0]=4 2476 B9R1.3 c1cc(c(c(c1)I)Br)O TS58871 [0,0,1,1,0,0|2,0,0]=4 2477 B9R1.3 c1cc(c(c(c1)I)Cl)O TS67649 [0,0,1,1,0,0|2,0,0]=4 2478 B9R1.3 c1cc(c(c(c1)I)I)O TS78771 [0,0,1,1,0,0|2,0,0]=4 2479 B9R1.3 c1cc(c(c(c1)I)N)O TS25664 [0,0,1,1,0,0|2,0,0]=4 2480 B9R1.3 c1cc(c(c(c1)O)Br)O TS85134 [0,0,1,1,0,0|2,0,0]=4 2481 B9R1.3 c1cc(c(c(c1)O)Cl)N TS06903 [0,0,1,1,0,0|2,0,0]=4 2482 B9R1.3 c1cc(c(c(c1)O)Cl)O TS00967 [0,0,1,1,0,0|2,0,0]=4 2483 B9R1.3 c1cc(c(c(c1)O)F)O TS65432 [0,0,1,1,0,0|2,0,0]=4 2484 B9R1.3 c1cc(c(c(c1)O)N)N TS00548 [0,0,1,1,0,0|2,0,0]=4 2485 B9R1.3 c1cc(c(c(c1)O)N)O TS08269 [0,0,1,1,0,0|2,0,0]=4 2486 B9R1.3 c1cc(c(c(c1)O)N)O TS09111 [0,0,1,1,0,0|2,0,0]=4 2487 B9R1.3 c1cc(c(c(c1)O)O)O TS05138 [0,0,1,1,0,0|2,0,0]=4 2488 B9R1.5 c1ccc(c(=O)cc1)O TS32491 [0,0,1,1,0,0|1,0,0]=3 2489 B9R1.12 c1cc(oc1)C=CC=O TS32492 [0,0,1,1,0,0|1,0,1]=4 2490 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,1,0,0|0,0,2]=4 2491 B11R2.36 Cc1cc2c(cc[nH]2)cn1 TS05742 [0,1,0,1,0,0|2,0,0]=4 2492 B11R2.36 Cc1cc2c(cc[nH]2)nc1 TS86014 [0,1,0,1,0,0|2,0,0]=4 2493 B11R2.36 Cc1cc2cc[nH]c2nc1 TS36683 [0,1,0,1,0,0|2,0,0]=4 2494 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,1,0,1,0,0|2,0,0]=4 2495 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,1,0,1,0,0|1,0,0]=3 2496 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,1,0,1,0,0|1,0,0]=3 2497 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,1,0,1,0,0|2,0,0]=4 2498 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [0,1,0,1,0,0|2,0,0]=4 2499 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [0,1,0,1,0,0|2,0,0]=4 2500 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,1,0,1,0,0|2,0,0]=4 2501 B11R2.36 Cc1ccc2c(n1)cc[nH]2 TS05745 [0,1,0,1,0,0|2,0,0]=4 2502 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,1,0,1,0,0|1,0,0]=3 2503 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,1,0,1,0,0|1,0,0]=3 2504 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,1,0,1,0,0|2,0,0]=4 2505 B11R2.36 Cc1ccc2nccn2c1 TS05746 [0,1,0,1,0,0|2,0,0]=4 2506 B11R2.36 Cc1ccn2ccnc2c1 TS05739 [0,1,0,1,0,0|2,0,0]=4 2507 B11R2.36 c1c[nH]c2c1cc(cn2)Br TS71451 [0,1,0,1,0,0|2,0,0]=4 2508 B11R2.36 c1c[nH]c2c1cc(cn2)Cl TS71484 [0,1,0,1,0,0|2,0,0]=4 2509 B11R2.36 c1c[nH]c2c1cc(cn2)F TS03300 [0,1,0,1,0,0|2,0,0]=4 2510 B11R2.36 c1c[nH]c2c1cc(cn2)I TS61941 [0,1,0,1,0,0|2,0,0]=4 2511 B11R2.36 c1c[nH]c2c1cc(cn2)N TS03239 [0,1,0,1,0,0|2,0,0]=4 2512 B11R2.36 c1c[nH]c2c1cc(cn2)N TS91549 [0,1,0,1,0,0|2,0,0]=4 2513 B11R2.36 c1c[nH]c2c1cc(cn2)O TS00458 [0,1,0,1,0,0|1,0,0]=3 2514 B11R2.36 c1c[nH]c2c1cc(nc2)Br TS18398 [0,1,0,1,0,0|2,0,0]=4 2515 B11R2.36 c1c[nH]c2c1cc(nc2)Cl TS10248 [0,1,0,1,0,0|2,0,0]=4 2516 B11R2.36 c1c[nH]c2c1cc(nc2)N TS86055 [0,1,0,1,0,0|2,0,0]=4 2517 B11R2.36 c1c[nH]c2c1cnc(c2)Br TS85649 [0,1,0,1,0,0|2,0,0]=4 2518 B11R2.36 c1c[nH]c2c1cnc(c2)Cl TS08425 [0,1,0,1,0,0|2,0,0]=4 2519 B11R2.36 c1c[nH]c2c1cnc(c2)F TS36972 [0,1,0,1,0,0|2,0,0]=4 2520 B11R2.36 c1c[nH]c2c1cnc(c2)N TS36763 [0,1,0,1,0,0|2,0,0]=4 2521 B11R2.36 c1c[nH]c2c1ncc(c2)Br TS59728 [0,1,0,1,0,0|2,0,0]=4 2522 B11R2.36 c1c[nH]c2c1ncc(c2)Cl TS10251 [0,1,0,1,0,0|2,0,0]=4 2523 B11R2.36 c1c[nH]c2c1ncc(c2)F TS86780 [0,1,0,1,0,0|2,0,0]=4 2524 B11R2.36 c1c[nH]c2c1ncc(c2)I TS85685 [0,1,0,1,0,0|2,0,0]=4 2525 B11R2.36 c1c[nH]c2c1ncc(c2)N TS36757 [0,1,0,1,0,0|2,0,0]=4 2526 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [0,1,0,1,0,0|1,0,0]=3 2527 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [0,1,0,1,0,0|1,0,0]=3 2528 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [0,1,0,1,0,0|1,0,0]=3 2529 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [0,1,0,1,0,0|1,0,0]=3 2530 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [0,1,0,1,0,0|0,0,0]=2 2531 B11R2.36 c1cc(cn2c1ccn2)Br TS91371 [0,1,0,1,0,0|2,0,0]=4 2532 B11R2.36 c1cc(nc2c1[nH]cc2)Br TS16999 [0,1,0,1,0,0|2,0,0]=4 2533 B11R2.36 c1cc(nc2c1[nH]cc2)Cl TS03274 [0,1,0,1,0,0|2,0,0]=4 2534 B11R2.36 c1cc(nc2c1[nH]cc2)N TS59672 [0,1,0,1,0,0|2,0,0]=4 2535 B11R2.36 c1cc(nc2c1cc[nH]2)Br TS55553 [0,1,0,1,0,0|2,0,0]=4 2536 B11R2.36 c1cc(nc2c1cc[nH]2)Cl TS08430 [0,1,0,1,0,0|2,0,0]=4 2537 B11R2.36 c1cc(nc2c1cc[nH]2)F TS36971 [0,1,0,1,0,0|2,0,0]=4 2538 B11R2.36 c1cc(nc2c1cc[nH]2)I TS61939 [0,1,0,1,0,0|2,0,0]=4 2539 B11R2.36 c1cc(nc2c1cc[nH]2)N TS00459 [0,1,0,1,0,0|2,0,0]=4 2540 B11R2.36 c1cc(nc2c1scc2)Cl TS89295 [0,1,0,1,0,0|2,0,0]=4 2541 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [0,1,0,1,0,0|1,0,0]=3 2542 B11R2.36 c1cc2c(cc1Br)cn[nH]2 TS71464 [0,1,0,1,0,0|2,0,0]=4 2543 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [0,1,0,1,0,0|2,0,0]=4 2544 B11R2.36 c1cc2c(cc1Br)ncs2 TS71457 [0,1,0,1,0,0|2,0,0]=4 2545 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [0,1,0,1,0,0|2,0,0]=4 2546 B11R2.36 c1cc2c(cc1Br)scn2 TS55556 [0,1,0,1,0,0|2,0,0]=4 2547 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [0,1,0,1,0,0|1,0,0]=3 2548 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 TS41215 [0,1,0,1,0,0|2,0,0]=4 2549 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 TS89463 [0,1,0,1,0,0|2,0,0]=4 2550 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [0,1,0,1,0,0|2,0,0]=4 2551 B11R2.36 c1cc2c(cc1Cl)ncs2 TS12735 [0,1,0,1,0,0|2,0,0]=4 2552 B11R2.36 c1cc2c(cc1Cl)scn2 TS12737 [0,1,0,1,0,0|2,0,0]=4 2553 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [0,1,0,1,0,0|1,0,0]=3 2554 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [0,1,0,1,0,0|2,0,0]=4 2555 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [0,1,0,1,0,0|2,0,0]=4 2556 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [0,1,0,1,0,0|2,0,0]=4 2557 B11R2.36 c1cc2c(cc1I)cn[nH]2 TS03347 [0,1,0,1,0,0|2,0,0]=4 2558 B11R2.36 c1cc2c(cc1N)[nH]cn2 TS03240 [0,1,0,1,0,0|2,0,0]=4 2559 B11R2.36 c1cc2c(cc1N)cn[nH]2 TS71375 [0,1,0,1,0,0|2,0,0]=4 2560 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [0,1,0,1,0,0|2,0,0]=4 2561 B11R2.36 c1cc2c(cc1N)ncs2 TS09908 [0,1,0,1,0,0|2,0,0]=4 2562 B11R2.36 c1cc2c(cc1N)ocn2 TS01204 [0,1,0,1,0,0|2,0,0]=4 2563 B11R2.36 c1cc2c(cc1N)scn2 TS01203 [0,1,0,1,0,0|2,0,0]=4 2564 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,1,0,1,0,0|0,0,2]=4 2565 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [0,1,0,1,0,0|0,0,2]=4 2566 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [0,1,0,1,0,0|1,0,1]=4 2567 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [0,1,0,1,0,0|1,0,0]=3 2568 B11R2.36 c1cc2c(cc1O)non2 TS06043 [0,1,0,1,0,0|2,0,0]=4 2569 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [0,1,0,1,0,0|1,0,0]=3 2570 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [0,1,0,1,0,0|1,0,0]=3 2571 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [0,1,0,1,0,0|1,0,0]=3 2572 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [0,1,0,1,0,0|1,0,0]=3 2573 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [0,1,0,1,0,0|1,0,0]=3 2574 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [0,1,0,1,0,0|1,0,0]=3 2575 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [0,1,0,1,0,0|0,0,0]=2 2576 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [0,1,0,1,0,0|1,0,0]=3 2577 B11R2.36 c1cc2c(cco2)cc1N TS36754 [0,1,0,1,0,0|1,0,0]=3 2578 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [0,1,0,1,0,0|1,0,0]=3 2579 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [0,1,0,1,0,0|1,0,0]=3 2580 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [0,1,0,1,0,0|1,0,0]=3 2581 B11R2.36 c1cc2c(ccs2)cc1N TS60421 [0,1,0,1,0,0|1,0,0]=3 2582 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [0,1,0,1,0,0|2,0,0]=4 2583 B11R2.36 c1cc2cn[nH]c2cc1Cl TS10256 [0,1,0,1,0,0|2,0,0]=4 2584 B11R2.36 c1cc2cn[nH]c2cc1F TS01222 [0,1,0,1,0,0|2,0,0]=4 2585 B11R2.36 c1cc2cn[nH]c2cc1I TS01243 [0,1,0,1,0,0|2,0,0]=4 2586 B11R2.36 c1cc2cn[nH]c2cc1N TS46953 [0,1,0,1,0,0|2,0,0]=4 2587 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [0,1,0,1,0,0|1,0,0]=3 2588 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [0,1,0,1,0,0|2,0,0]=4 2589 B11R2.36 c1cc2nccn2cc1Br TS71461 [0,1,0,1,0,0|2,0,0]=4 2590 B11R2.36 c1cc2nccn2cc1Br TS88050 [0,1,0,1,0,0|2,0,0]=4 2591 B11R2.36 c1cc2nccn2cc1Cl TS08433 [0,1,0,1,0,0|2,0,0]=4 2592 B11R2.36 c1cc2nccn2cc1I TS61937 [0,1,0,1,0,0|2,0,0]=4 2593 B11R2.36 c1cc2nccn2cc1N TS05825 [0,1,0,1,0,0|2,0,0]=4 2594 B11R2.36 c1cc2nccn2cc1O TS36824 [0,1,0,1,0,0|1,0,0]=3 2595 B11R2.36 c1cn2ccnc2cc1Br TS90728 [0,1,0,1,0,0|2,0,0]=4 2596 B11R2.36 c1cn2ccnc2cc1Cl TS16505 [0,1,0,1,0,0|2,0,0]=4 2597 B11R2.36 c1cn2ccnc2cc1N TS88139 [0,1,0,1,0,0|2,0,0]=4 2598 B11R2.36 c1cnn2c1cc(cc2)Br TS85985 [0,1,0,1,0,0|2,0,0]=4 2599 B11R2.36 c1coc2c1cc(cn2)N TS90104 [0,1,0,1,0,0|2,0,0]=4 2600 B11R2.36 c1csc2c1cc(cn2)N TS86798 [0,1,0,1,0,0|2,0,0]=4 2601 B11R2.36 c1csc2c1cc(nc2)Cl TS86449 [0,1,0,1,0,0|2,0,0]=4 2602 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [0,1,0,1,0,0|0,0,1]=3 2603 B7R1.1 C=Cn1ccnc1 TS03670 [1,0,0,0,1,0|2,0,0]=4 2604 B7R1.1 c1c[nH]cc1C=O TS00457 [1,0,0,0,1,0|2,0,0]=4 2605 B7R1.1 c1cc([nH]c1)C=O TS01672 [1,0,0,0,1,0|2,0,0]=4 2606 B7R1.1 c1cc(oc1)C=O TS03712 [1,0,0,0,1,0|2,0,0]=4 2607 B7R1.1 c1cc(sc1)C=O TS65660 [1,0,0,0,1,0|2,0,0]=4 2608 B7R1.1 c1cc[c-](c1)C=O TS21602 [1,0,0,0,1,0|1,0,1]=4 2609 B7R1.1 c1cocc1C=O TS02781 [1,0,0,0,1,0|2,0,0]=4 2610 B7R1.1 c1cscc1C=O TS70719 [1,0,0,0,1,0|2,0,0]=4