0 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.24 Cc1ccc2c(c1)cncn2 TS40185 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.24 Cc1ccc2c(c1)nccn2 TS40189 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 Cc1ccc2c(n1)cccn2 TS39280 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [0,0,0,0,0,0|1,0,0]=1 7 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.24 Cc1ccc2cccnc2n1 TS06960 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 Cc1ccc2cnncc2c1 TS40192 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.24 Cc1cnc2ccccc2n1 TS40190 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.24 Cc1nc2ccccc2nn1 TS07096 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [0,0,0,0,0,0|2,1,0]=3 17 B12R2.24 c1cc(cc2c1ccnc2)Br TS55661 [0,0,0,0,0,0|2,0,0]=2 18 B12R2.24 c1cc(cc2c1ccnc2)N TS01297 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [0,0,0,0,0,0|1,1,0]=2 20 B12R2.24 c1cc(nc2c1ccnc2)Br TS43588 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.24 c1cc(nc2c1ccnc2)Cl TS42831 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.24 c1cc(nc2c1cncn2)N TS01664 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.24 c1cc(nc2c1nccn2)N TS07207 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [0,0,0,0,0,0|2,1,0]=3 25 B12R2.24 c1cc2c(cc1Br)C=CCC2 TS20693 [0,0,0,0,0,0|1,0,2]=3 26 B12R2.24 c1cc2c(cc1Br)cncn2 TS16480 [0,0,0,0,0,0|3,0,0]=3 27 B12R2.24 c1cc2c(cc1Br)nccn2 TS16483 [0,0,0,0,0,0|3,0,0]=3 28 B12R2.24 c1cc2c(cc1Cl)C=CCC2 TS11962 [0,0,0,0,0,0|1,0,2]=3 29 B12R2.24 c1cc2c(cc1Cl)nccn2 TS11947 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.24 c1cc2c(cc1F)C=CCC2 TS07450 [0,0,0,0,0,0|1,0,2]=3 31 B12R2.24 c1cc2c(cc1N)nccn2 TS07099 [0,0,0,0,0,0|3,0,0]=3 32 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 TS87520 [0,0,0,0,0,0|3,0,0]=3 33 B12R2.24 c1cc2c(ccc(n2)N)nc1 TS60189 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 TS90109 [0,0,0,0,0,0|4,0,0]=4 35 B12R2.24 c1cc2c(nc1)ncc(n2)Cl TS00958 [0,0,0,0,0,0|4,0,0]=4 36 B12R2.24 c1cc2cc(ccc2nc1)Br TS16482 [0,0,0,0,0,0|2,0,0]=2 37 B12R2.24 c1cc2cc(ccc2nc1)Cl TS55590 [0,0,0,0,0,0|2,0,0]=2 38 B12R2.24 c1cc2cc(ccc2nc1)I TS01245 [0,0,0,0,0,0|2,0,0]=2 39 B12R2.24 c1cc2cc(ccc2nc1)N TS01214 [0,0,0,0,0,0|2,0,0]=2 40 B12R2.24 c1cc2cc(ccc2nc1)N TS48009 [0,0,0,0,0,0|2,0,0]=2 41 B12R2.24 c1cc2cc(cnc2nc1)N TS07095 [0,0,0,0,0,0|3,0,0]=3 42 B12R2.24 c1cc2ccc(cc2nc1)Br TS55665 [0,0,0,0,0,0|2,0,0]=2 43 B12R2.24 c1cc2ccc(cc2nc1)Cl TS39796 [0,0,0,0,0,0|2,0,0]=2 44 B12R2.24 c1cc2ccc(cc2nc1)N TS01298 [0,0,0,0,0,0|2,0,0]=2 45 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [0,0,0,0,0,0|1,1,0]=2 46 B12R2.24 c1cc2ccc(nc2nc1)N TS40303 [0,0,0,0,0,0|3,0,0]=3 47 B12R2.24 c1cc2cnccc2cc1Br TS16471 [0,0,0,0,0,0|2,0,0]=2 48 B12R2.24 c1cc2cnccc2cc1N TS01206 [0,0,0,0,0,0|2,0,0]=2 49 B12R2.24 c1cc2cnccc2cc1O TS55609 [0,0,0,0,0,0|1,1,0]=2 50 B12R2.24 c1cc2cncnc2cc1Br TS55664 [0,0,0,0,0,0|3,0,0]=3 51 B12R2.24 c1cc2cnncc2cc1Br TS87020 [0,0,0,0,0,0|3,0,0]=3 52 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,0,0,0|1,1,2]=4 53 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,0,0,0,0,0|1,1,2]=4 54 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,0,0,0|1,1,2]=4 55 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,0,0,0|1,1,2]=4 56 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [0,0,0,0,0,0|2,0,1]=3 57 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,0,0,0|0,1,3]=4 58 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,0,0,0|1,1,2]=4 59 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,0,0,0|1,1,2]=4 60 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [0,0,0,0,0,0|2,1,1]=4 61 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [0,0,0,0,0,0|2,1,1]=4 62 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [0,0,0,0,0,0|2,1,1]=4 63 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [0,0,0,0,0,0|3,0,0]=3 64 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [0,0,0,0,0,0|2,0,0]=2 65 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [0,0,0,0,0,0|2,0,0]=2 66 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [0,0,0,0,0,0|1,1,0]=2 67 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [0,0,0,0,0,0|1,1,0]=2 68 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [0,0,0,0,0,0|2,0,0]=2 69 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [0,0,0,0,0,0|2,0,0]=2 70 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [0,0,0,0,0,0|2,0,0]=2 71 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [0,0,0,0,0,0|2,0,0]=2 72 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [0,0,0,0,0,0|1,1,0]=2 73 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [0,0,0,0,0,0|1,1,0]=2 74 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [0,0,0,0,0,0|1,0,0]=1 75 B12R2.24 c1ccc2c(c1)cnc(n2)Cl TS00964 [0,0,0,0,0,0|3,0,0]=3 76 B12R2.24 c1ccc2c(c1)cnc(n2)N TS00825 [0,0,0,0,0,0|3,0,0]=3 77 B12R2.24 c1ccc2c(c1)ncc(n2)Br TS55171 [0,0,0,0,0,0|3,0,0]=3 78 B12R2.24 c1ccc2c(c1)ncc(n2)Cl TS39269 [0,0,0,0,0,0|3,0,0]=3 79 B12R2.24 c1ccc2c(c1)ncc(n2)N TS40308 [0,0,0,0,0,0|3,0,0]=3 80 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [0,0,0,0,0,0|2,1,0]=3 81 B12R2.24 c1ccc2c(c1)ncc(n2)S TS42478 [0,0,0,0,0,0|2,0,0]=2 82 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [0,0,0,0,0,0|1,0,0]=1 83 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [0,0,0,0,0,0|1,0,0]=1 84 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [0,0,0,0,0,0|1,0,0]=1 85 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [0,0,0,0,0,0|1,0,0]=1 86 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [0,0,0,0,0,0|1,0,0]=1 87 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [0,0,0,0,0,0|0,1,0]=1 88 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [0,0,0,0,0,0|0,0,0]=0 89 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [0,0,0,0,0,0|1,1,0]=2 90 B12R2.24 c1ccc2cnc(cc2c1)Br TS65951 [0,0,0,0,0,0|2,0,0]=2 91 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [0,0,0,0,0,0|2,0,0]=2 92 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [0,0,0,0,0,0|2,0,0]=2 93 B12R2.24 c1ccc2cnc(cc2c1)N TS40187 [0,0,0,0,0,0|2,0,0]=2 94 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [0,0,0,0,0,0|1,1,0]=2 95 B12R2.24 c1cnc2c(n1)cc(cn2)Br TS43722 [0,0,0,0,0,0|4,0,0]=4 96 B12R2.24 c1cncc2c1cnc(n2)Cl TS85807 [0,0,0,0,0,0|4,0,0]=4 97 B11R2.20 c1cc2c(cccn2)nc1 TS01994 [1,0,0,0,0,0|2,0,0]=3 98 B11R2.20 c1cc2c(nc1)nccn2 TS05652 [1,0,0,0,0,0|3,0,0]=4 99 B11R2.20 c1cc2cccnc2nc1 TS02110 [1,0,0,0,0,0|2,0,0]=3 100 B11R2.20 c1cc2cnccc2nc1 TS46826 [1,0,0,0,0,0|2,0,0]=3 101 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [1,0,0,0,0,0|0,0,2]=3 102 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [1,0,0,0,0,0|0,0,2]=3 103 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [1,0,0,0,0,0|1,0,2]=4 104 B11R2.20 c1ccc2c(c1)ccc[nH+]2 TS72329 [1,0,0,0,0,0|1,0,0]=2 105 B11R2.20 c1ccc2c(c1)cccn2 TS05460 [1,0,0,0,0,0|1,0,0]=2 106 B11R2.20 c1ccc2c(c1)cccn2 TS12108 [1,0,0,0,0,0|1,0,0]=2 107 B11R2.20 c1ccc2c(c1)cccn2 TS77676 [1,0,0,0,0,0|1,0,0]=2 108 B11R2.20 c1ccc2c(c1)ccnn2 TS36485 [1,0,0,0,0,0|2,0,0]=3 109 B11R2.20 c1ccc2c(c1)cncn2 TS39940 [1,0,0,0,0,0|2,0,0]=3 110 B11R2.20 c1ccc2c(c1)nccn2 TS36484 [1,0,0,0,0,0|2,0,0]=3 111 B11R2.20 c1ccc2ccccc2c1 TS05355 [1,0,0,0,0,0|0,0,0]=1 112 B11R2.20 c1ccc2cnccc2c1 TS56192 [1,0,0,0,0,0|1,0,0]=2 113 B11R2.20 c1ccc2cnccc2c1 TS94810 [1,0,0,0,0,0|1,0,0]=2 114 B11R2.20 c1ccc2cnncc2c1 TS59679 [1,0,0,0,0,0|2,0,0]=3 115 B13R2.32 Cc1c(ccc2c1nccc2)Cl TS14110 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [0,1,0,0,0,0|0,1,0]=2 117 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.32 Cc1ccc2c(c1N)cccn2 TS41927 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [0,1,0,0,0,0|1,0,0]=2 120 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [0,1,0,0,0,0|1,0,0]=2 121 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [0,1,0,0,0,0|1,0,0]=2 122 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [0,1,0,0,0,0|1,0,0]=2 123 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.32 Cc1ccc2cccnc2c1N TS41917 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.32 Cc1ccc2cnccc2c1Br TS85283 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.32 Cc1cnc2ccccc2c1N TS11004 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.32 Cc1coc2ccccc2c1=O TS42143 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [0,1,0,0,0,0|1,1,0]=3 129 B13R2.32 c1cc(c(c2c1ccnc2)Cl)Cl TS18559 [0,1,0,0,0,0|2,0,0]=3 130 B13R2.32 c1cc2c(c(c1N)Br)nccn2 TS01202 [0,1,0,0,0,0|3,0,0]=4 131 B13R2.32 c1cc2ccc(c(c2nc1)O)F TS11666 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [0,1,0,0,0,0|0,1,0]=2 133 B13R2.32 c1ccc2c(c1)C=CC(C2O)O TS11543 [0,1,0,0,0,0|0,1,2]=4 134 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O TS42439 [0,1,0,0,0,0|0,1,2]=4 135 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br TS52112 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Br TS35018 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Cl TS65081 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N TS70876 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)O TS50421 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.32 c1ccc2c(c1)c(c(cn2)Cl)O TS66012 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Br TS23602 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N TS42063 [0,1,0,0,0,0|2,0,0]=3 143 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [0,1,0,0,0,0|0,1,0]=2 144 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [0,1,0,0,0,0|0,1,0]=2 145 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.32 c1ccc2c(c1)ccc(c2O)Br TS23598 [0,1,0,0,0,0|1,0,0]=2 147 B13R2.32 c1ccc2c(c1)ccc(c2O)F TS42429 [0,1,0,0,0,0|1,0,0]=2 148 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [0,1,0,0,0,0|0,1,0]=2 150 B13R2.57 C#Cc1ccc2ccccc2c1 TS10193 [0,1,0,0,0,0|1,0,0]=2 151 B13R2.57 C=Cc1ccc2ccccc2c1 TS10454 [0,1,0,0,0,0|1,0,0]=2 152 B13R2.57 C=Cc1ccc2ccccc2n1 TS10588 [0,1,0,0,0,0|2,0,0]=3 153 B13R2.57 CCc1cc2ccccc2nc1 TS41810 [0,1,0,0,0,0|2,0,0]=3 154 B13R2.57 CCc1ccc2ccccc2c1 TS41663 [0,1,0,0,0,0|1,0,0]=2 155 B13R2.57 CNc1ccc2ccccc2c1 TS41809 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.57 COc1ccc2c(c1)C=CCC2 TS42197 [0,1,0,0,0,0|0,1,2]=4 157 B13R2.57 COc1ccc2c(c1)cccn2 TS11122 [0,1,0,0,0,0|1,1,0]=3 158 B13R2.57 COc1ccc2c(c1)nccn2 TS42162 [0,1,0,0,0,0|2,1,0]=4 159 B13R2.57 COc1ccc2ccccc2c1 TS10994 [0,1,0,0,0,0|0,1,0]=2 160 B13R2.57 COc1ccc2ccncc2c1 TS55688 [0,1,0,0,0,0|1,1,0]=3 161 B13R2.57 COc1ccc2cnccc2c1 TS65174 [0,1,0,0,0,0|1,1,0]=3 162 B13R2.57 CSc1ccc2ccccc2c1 TS45829 [0,1,0,0,0,0|0,0,0]=1 163 B13R2.57 c1cc(nc2c1cncc2)C#N TS10584 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.57 c1cc2c(cc1C=O)cncn2 TS41878 [0,1,0,0,0,0|2,1,0]=4 165 B13R2.57 c1cc2c(cc1C=O)nccn2 TS59385 [0,1,0,0,0,0|2,1,0]=4 166 B13R2.57 c1cc2c(cc1CN)cncn2 TS55637 [0,1,0,0,0,0|3,0,0]=4 167 B13R2.57 c1cc2cc(ccc2[nH+]c1)NN TS53574 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.57 c1cc2cc(ccc2nc1)C#N TS59383 [0,1,0,0,0,0|2,0,0]=3 169 B13R2.57 c1cc2cc(ccc2nc1)C=O TS41761 [0,1,0,0,0,0|1,1,0]=3 170 B13R2.57 c1cc2cc(ccc2nc1)CN TS01207 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.57 c1cc2cc(ccc2nc1)CO TS55638 [0,1,0,0,0,0|1,1,0]=3 172 B13R2.57 c1cc2ccc(cc2nc1)C=O TS16521 [0,1,0,0,0,0|1,1,0]=3 173 B13R2.57 c1cc2ccc(nc2nc1)C=O TS41879 [0,1,0,0,0,0|2,1,0]=4 174 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N TS10853 [0,1,0,0,0,0|2,0,1]=4 175 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O TS07721 [0,1,0,0,0,0|1,1,1]=4 176 B13R2.57 c1ccc2c(c1)C=C(CO2)CO TS11537 [0,1,0,0,0,0|1,1,1]=4 177 B13R2.57 c1ccc2c(c1)cc(cn2)C#N TS10435 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.57 c1ccc2c(c1)cc(cn2)C=O TS01678 [0,1,0,0,0,0|1,1,0]=3 179 B13R2.57 c1ccc2c(c1)cc(cn2)CN TS11003 [0,1,0,0,0,0|2,0,0]=3 180 B13R2.57 c1ccc2c(c1)ccc(n2)C#N TS10434 [0,1,0,0,0,0|2,0,0]=3 181 B13R2.57 c1ccc2c(c1)ccc(n2)C=O TS01677 [0,1,0,0,0,0|1,1,0]=3 182 B13R2.57 c1ccc2c(c1)ccc(n2)CBr TS08821 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.57 c1ccc2c(c1)ccc(n2)CCl TS47092 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.57 c1ccc2c(c1)ccc(n2)CO TS65647 [0,1,0,0,0,0|1,1,0]=3 185 B13R2.57 c1ccc2c(c1)ccc(n2)NN TS42066 [0,1,0,0,0,0|2,0,0]=3 186 B13R2.57 c1ccc2c(c1)ncc(n2)C=O TS41876 [0,1,0,0,0,0|2,1,0]=4 187 B13R2.57 c1ccc2c(c1)ncc(n2)NN TS42171 [0,1,0,0,0,0|3,0,0]=4 188 B13R2.57 c1ccc2cc(ccc2c1)C#N TS55303 [0,1,0,0,0,0|1,0,0]=2 189 B13R2.57 c1ccc2cc(ccc2c1)C=O TS10684 [0,1,0,0,0,0|0,1,0]=2 190 B13R2.57 c1ccc2cc(ccc2c1)CBr TS23231 [0,1,0,0,0,0|1,0,0]=2 191 B13R2.57 c1ccc2cc(ccc2c1)CCl TS47088 [0,1,0,0,0,0|1,0,0]=2 192 B13R2.57 c1ccc2cc(ccc2c1)CN TS17752 [0,1,0,0,0,0|1,0,0]=2 193 B13R2.57 c1ccc2cc(ccc2c1)CN TS46703 [0,1,0,0,0,0|1,0,0]=2 194 B13R2.57 c1ccc2cc(ccc2c1)CO TS01786 [0,1,0,0,0,0|0,1,0]=2 195 B13R2.57 c1ccc2cc(ccc2c1)NN TS11005 [0,1,0,0,0,0|1,0,0]=2 196 B13R2.57 c1ccc2cc(ccc2c1)NN TS65617 [0,1,0,0,0,0|1,0,0]=2 197 B13R2.57 c1ccc2cnc(cc2c1)C#N TS70640 [0,1,0,0,0,0|2,0,0]=3 198 B13R2.57 c1ccc2cnc(cc2c1)C=O TS70641 [0,1,0,0,0,0|1,1,0]=3 199 B13R2.155 Cc1ccc2ccc(=O)oc2c1 TS42130 [0,1,0,0,0,0|1,1,0]=3 200 B13R2.155 Cc1ccc2ccc(cc2c1)C TS41664 [0,1,0,0,0,0|1,0,0]=2 201 B13R2.155 Cc1ccc2ccc(cc2n1)Cl TS14116 [0,1,0,0,0,0|2,0,0]=3 202 B13R2.155 Cc1ccc2ccc(cc2n1)F TS42304 [0,1,0,0,0,0|2,0,0]=3 203 B13R2.155 Cc1ccc2ccc(nc2c1)C TS41802 [0,1,0,0,0,0|2,0,0]=3 204 B13R2.155 c1cc(=O)[nH]c2c1ccc(=O)[nH]2 TS42415 [0,1,0,0,0,0|2,1,0]=4 205 B13R2.155 c1cc([nH]c-2nc(=O)ccc12)N TS42298 [0,1,0,0,0,0|2,1,0]=4 206 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O TS94031 [0,1,0,0,0,0|1,1,0]=3 207 B13R2.155 c1cc(cc2c1ccc(=O)o2)N TS42281 [0,1,0,0,0,0|1,1,0]=3 208 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br TS00716 [0,1,0,0,0,0|1,0,0]=2 209 B13R2.155 c1cc(cc2c1ccc(c2)Br)O TS08378 [0,1,0,0,0,0|0,1,0]=2 210 B13R2.155 c1cc(cc2c1ccc(c2)O)N TS11137 [0,1,0,0,0,0|0,1,0]=2 211 B13R2.155 c1cc(cc2c1ccc(c2)O)O TS39909 [0,1,0,0,0,0|0,1,0]=2 212 B13R2.155 c1cc(cc2c1ccc(c2)S)S TS51557 [0,1,0,0,0,0|0,0,0]=1 213 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br TS09158 [0,1,0,0,0,0|2,0,0]=3 214 B13R2.155 c1cc(cc2c1ccc(n2)N)Br TS23609 [0,1,0,0,0,0|2,0,0]=3 215 B13R2.155 c1cc(cc2c1ccc(n2)O)Cl TS55673 [0,1,0,0,0,0|1,1,0]=3 216 B13R2.155 c1cc(nc2c1ccc(n2)Cl)Cl TS00717 [0,1,0,0,0,0|3,0,0]=4 217 B13R2.155 c1cc(nc2c1ccc(n2)F)O TS11813 [0,1,0,0,0,0|2,1,0]=4 218 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 TS55659 [0,1,0,0,0,0|2,1,0]=4 219 B13R2.155 c1cc2c(cc1Br)cc(cn2)O TS50418 [0,1,0,0,0,0|1,1,0]=3 220 B13R2.155 c1cc2c(cc1Br)nc(cn2)Cl TS16490 [0,1,0,0,0,0|3,0,0]=4 221 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl TS00718 [0,1,0,0,0,0|3,0,0]=4 222 B13R2.155 c1cc2c(cc1I)cc(cn2)Br TS63868 [0,1,0,0,0,0|2,0,0]=3 223 B13R2.155 c1cc2c(cc1N)cc(cn2)Br TS23607 [0,1,0,0,0,0|2,0,0]=3 224 B13R2.155 c1cc2c(cc1S)NC(=O)CO2 TS14800 [0,1,0,0,0,0|2,0,1]=4 225 B13R2.155 c1cc2cnc(nc2cc1Br)Cl TS85708 [0,1,0,0,0,0|3,0,0]=4 226 B13R2.155 c1cc2cnc(nc2cc1Cl)N TS94436 [0,1,0,0,0,0|3,0,0]=4 227 B13R2.155 c1cc2cnc(nc2cc1F)Cl TS00945 [0,1,0,0,0,0|3,0,0]=4 228 B13R2.162 Cc1cc2c(cccc2nn1)N TS42061 [0,1,0,0,0,0|3,0,0]=4 229 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl TS14115 [0,1,0,0,0,0|2,0,0]=3 230 B13R2.162 Cc1ccc2c(c1)c(ccn2)N TS11007 [0,1,0,0,0,0|2,0,0]=3 231 B13R2.162 Cc1ccc2c(c1)c(ccn2)O TS71162 [0,1,0,0,0,0|2,0,0]=3 232 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl TS33148 [0,1,0,0,0,0|3,0,0]=4 233 B13R2.162 Cc1ccc2c(c1)c(ncn2)O TS11250 [0,1,0,0,0,0|3,0,0]=4 234 B13R2.162 Cc1ccc2cccc(c2c1)C TS10739 [0,1,0,0,0,0|1,0,0]=2 235 B13R2.162 Cc1ccc2cccc(c2c1)O TS10989 [0,1,0,0,0,0|1,0,0]=2 236 B13R2.162 Cc1ccc2cccc(c2n1)Cl TS14101 [0,1,0,0,0,0|2,0,0]=3 237 B13R2.162 Cc1ccc2cccc(c2n1)F TS11390 [0,1,0,0,0,0|2,0,0]=3 238 B13R2.162 Cc1ccc2cccc(c2n1)N TS01309 [0,1,0,0,0,0|2,0,0]=3 239 B13R2.162 Cc1ccc2cccc(c2n1)O TS85354 [0,1,0,0,0,0|2,0,0]=3 240 B13R2.162 Cc1ccc2ccnc(c2c1)O TS94880 [0,1,0,0,0,0|2,0,0]=3 241 B13R2.162 Cc1cccc2c1nc(cc2)C TS10881 [0,1,0,0,0,0|2,0,0]=3 242 B13R2.162 c1c[nH]c(=O)c2c1ncc(c2)Br TS90554 [0,1,0,0,0,0|3,0,0]=4 243 B13R2.162 c1c[nH]c2c(c1=O)cc(cn2)Br TS52121 [0,1,0,0,0,0|3,0,0]=4 244 B13R2.162 c1cc(cc2c1cc[nH]c2=O)O TS11372 [0,1,0,0,0,0|1,1,0]=3 245 B13R2.162 c1cc(cc2c1ccnc2Cl)Br TS55653 [0,1,0,0,0,0|2,0,0]=3 246 B13R2.162 c1cc(cc2c1ccnc2N)Br TS32808 [0,1,0,0,0,0|2,0,0]=3 247 B13R2.162 c1cc(cc2c1ccnc2O)Cl TS55671 [0,1,0,0,0,0|2,0,0]=3 248 B13R2.162 c1cc(nc2c1nccc2Br)Br TS85958 [0,1,0,0,0,0|3,0,0]=4 249 B13R2.162 c1cc(nc2c1nccc2Cl)Cl TS89810 [0,1,0,0,0,0|3,0,0]=4 250 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br TS35014 [0,1,0,0,0,0|2,0,0]=3 251 B13R2.162 c1cc2c(cc1Br)c(=O)cco2 TS52113 [0,1,0,0,0,0|2,0,0]=3 252 B13R2.162 c1cc2c(cc1Br)c(ccn2)Br TS35016 [0,1,0,0,0,0|2,0,0]=3 253 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl TS55549 [0,1,0,0,0,0|2,0,0]=3 254 B13R2.162 c1cc2c(cc1Br)c(ccn2)I TS55552 [0,1,0,0,0,0|2,0,0]=3 255 B13R2.162 c1cc2c(cc1Br)c(ccn2)N TS02989 [0,1,0,0,0,0|2,0,0]=3 256 B13R2.162 c1cc2c(cc1Br)c(ccn2)O TS55550 [0,1,0,0,0,0|2,0,0]=3 257 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl TS55548 [0,1,0,0,0,0|3,0,0]=4 258 B13R2.162 c1cc2c(cc1Br)c(ncn2)N TS16479 [0,1,0,0,0,0|3,0,0]=4 259 B13R2.162 c1cc2c(cc1Cl)c(=O)[nH]cn2 TS32670 [0,1,0,0,0,0|3,0,0]=4 260 B13R2.162 c1cc2c(cc1Cl)c(=O)cco2 TS14677 [0,1,0,0,0,0|2,0,0]=3 261 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl TS18561 [0,1,0,0,0,0|2,0,0]=3 262 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N TS21827 [0,1,0,0,0,0|2,0,0]=3 263 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N TS70901 [0,1,0,0,0,0|2,0,0]=3 264 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O TS08423 [0,1,0,0,0,0|2,0,0]=3 265 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl TS02918 [0,1,0,0,0,0|3,0,0]=4 266 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N TS14477 [0,1,0,0,0,0|3,0,0]=4 267 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 TS16295 [0,1,0,0,0,0|3,0,0]=4 268 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl TS09007 [0,1,0,0,0,0|2,0,0]=3 269 B13R2.162 c1cc2c(cc1F)c(ccn2)N TS11522 [0,1,0,0,0,0|2,0,0]=3 270 B13R2.162 c1cc2c(cc1F)c(ccn2)O TS16642 [0,1,0,0,0,0|2,0,0]=3 271 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl TS09659 [0,1,0,0,0,0|3,0,0]=4 272 B13R2.162 c1cc2c(cc1F)c(ncn2)N TS11677 [0,1,0,0,0,0|3,0,0]=4 273 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 TS90785 [0,1,0,0,0,0|2,0,1]=4 274 B13R2.162 c1cc2c(cc1I)c(=O)[nH]cn2 TS87631 [0,1,0,0,0,0|3,0,0]=4 275 B13R2.162 c1cc2c(cc1I)c(ccn2)Cl TS35239 [0,1,0,0,0,0|2,0,0]=3 276 B13R2.162 c1cc2c(cc1I)c(ccn2)N TS30745 [0,1,0,0,0,0|2,0,0]=3 277 B13R2.162 c1cc2c(cc1I)c(ccn2)O TS71158 [0,1,0,0,0,0|2,0,0]=3 278 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl TS87996 [0,1,0,0,0,0|3,0,0]=4 279 B13R2.162 c1cc2c(cc1N)c(=O)[nH]cn2 TS55530 [0,1,0,0,0,0|3,0,0]=4 280 B13R2.162 c1cc2c(cc1O)c(ccn2)Br TS50419 [0,1,0,0,0,0|1,1,0]=3 281 B13R2.162 c1cc2c(cc1O)c(ccn2)Cl TS32963 [0,1,0,0,0,0|1,1,0]=3 282 B13R2.162 c1cc2ccc(cc2c(c1)N)O TS11123 [0,1,0,0,0,0|0,1,0]=2 283 B13R2.162 c1cc2ccc(cc2c(c1)O)O TS39907 [0,1,0,0,0,0|0,1,0]=2 284 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl TS07930 [0,1,0,0,0,0|2,0,0]=3 285 B13R2.162 c1cc2ccc(nc2c(c1)O)N TS11251 [0,1,0,0,0,0|2,0,0]=3 286 B13R2.162 c1cc2ccc(nc2c(c1)O)O TS59682 [0,1,0,0,0,0|1,1,0]=3 287 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl TS91660 [0,1,0,0,0,0|3,0,0]=4 288 B13R2.162 c1cnc(c2c1ncc(c2)Br)Cl TS88716 [0,1,0,0,0,0|3,0,0]=4 289 B13R2.328 CC1=Nc2ccccc2C(=O)C1 TS11136 [0,1,0,0,0,0|2,0,1]=4 290 B13R2.328 Cc1[nH]c(=O)c2ccccc2n1 TS46422 [0,1,0,0,0,0|3,0,0]=4 291 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [0,1,0,0,0,0|1,1,0]=3 292 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 TS13737 [0,1,0,0,0,0|1,0,1]=3 293 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [0,1,0,0,0,0|1,0,0]=2 294 B13R2.328 Cc1cc(c2ccccc2n1)Cl TS14102 [0,1,0,0,0,0|2,0,0]=3 295 B13R2.328 Cc1cc(c2ccccc2n1)N TS11011 [0,1,0,0,0,0|2,0,0]=3 296 B13R2.328 Cc1cc(c2ccccc2n1)O TS11130 [0,1,0,0,0,0|2,0,0]=3 297 B13R2.328 Cc1cc(c2ccccc2n1)S TS13738 [0,1,0,0,0,0|2,0,0]=3 298 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [0,1,0,0,0,0|2,0,0]=3 299 B13R2.328 Cc1cc(nc2c1cccc2)Cl TS07941 [0,1,0,0,0,0|2,0,0]=3 300 B13R2.328 Cc1cc(nc2c1cccc2)N TS41933 [0,1,0,0,0,0|2,0,0]=3 301 B13R2.328 Cc1cc(nc2c1cccc2)O TS32798 [0,1,0,0,0,0|1,1,0]=3 302 B13R2.328 Cc1cc2ccccc2c(=O)o1 TS42131 [0,1,0,0,0,0|2,0,0]=3 303 B13R2.328 Cc1cc2ccccc2c(n1)Cl TS14111 [0,1,0,0,0,0|2,0,0]=3 304 B13R2.328 Cc1cc2ccccc2n(=O)c1 TS42049 [0,1,0,0,0,0|2,0,0]=3 305 B13R2.328 Cc1nc2ccccc2c(=O)o1 TS00093 [0,1,0,0,0,0|3,0,0]=4 306 B13R2.328 c1c(cc(c2c1C=CCC2)Cl)Cl TS54159 [0,1,0,0,0,0|1,0,2]=4 307 B13R2.328 c1c(cc(c2c1C=CCC2)F)F TS43025 [0,1,0,0,0,0|1,0,2]=4 308 B13R2.328 c1cc2c(cc(cc2F)F)nc1 TS11982 [0,1,0,0,0,0|2,0,0]=3 309 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 TS91675 [0,1,0,0,0,0|3,0,0]=4 310 B13R2.328 c1cc2c(cc(nc2nc1)Cl)Cl TS94354 [0,1,0,0,0,0|3,0,0]=4 311 B13R2.328 c1cc2cc(cc(c2nc1)N)F TS11523 [0,1,0,0,0,0|2,0,0]=3 312 B13R2.328 c1cc2cc(cc(c2nc1)O)Cl TS14475 [0,1,0,0,0,0|2,0,0]=3 313 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,1,0,0,0,0|1,1,1]=4 314 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 TS01370 [0,1,0,0,0,0|2,1,0]=4 315 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)o2 TS42538 [0,1,0,0,0,0|2,1,0]=4 316 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N TS47363 [0,1,0,0,0,0|3,0,0]=4 317 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)S TS55419 [0,1,0,0,0,0|2,0,0]=3 318 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [0,1,0,0,0,0|2,1,0]=4 319 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br TS65122 [0,1,0,0,0,0|1,1,0]=3 320 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N TS42153 [0,1,0,0,0,0|1,1,0]=3 321 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [0,1,0,0,0,0|1,1,0]=3 322 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [0,1,0,0,0,0|1,1,0]=3 323 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [0,1,0,0,0,0|1,1,0]=3 324 B13R2.328 c1ccc2c(c1)c(cc(=O)s2)O TS47543 [0,1,0,0,0,0|1,1,0]=3 325 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl TS00621 [0,1,0,0,0,0|2,0,0]=3 326 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F TS14838 [0,1,0,0,0,0|2,0,0]=3 327 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br TS23601 [0,1,0,0,0,0|2,0,0]=3 328 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N TS42057 [0,1,0,0,0,0|2,0,0]=3 329 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O TS47527 [0,1,0,0,0,0|2,0,0]=3 330 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O TS15096 [0,1,0,0,0,0|1,1,0]=3 331 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl TS00620 [0,1,0,0,0,0|3,0,0]=4 332 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N TS39268 [0,1,0,0,0,0|3,0,0]=4 333 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N TS42170 [0,1,0,0,0,0|3,0,0]=4 334 B13R2.328 c1ccc2c(c1)cc(cc2O)O TS08742 [0,1,0,0,0,0|0,1,0]=2 335 B13R2.328 c1ccc2c(c1)cc(nc2Br)N TS23600 [0,1,0,0,0,0|2,0,0]=3 336 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl TS59888 [0,1,0,0,0,0|2,0,0]=3 337 B13R2.328 c1cncc2c1c(cc(c2)Cl)N TS47640 [0,1,0,0,0,0|2,0,0]=3 338 B13R2.369 Cc1c(nc2ccccc2n1)C TS11009 [0,1,0,0,0,0|3,0,0]=4 339 B13R2.369 Cc1c(nc2ccccc2n1)Cl TS47634 [0,1,0,0,0,0|3,0,0]=4 340 B13R2.369 Cc1c(nc2ccccc2n1)N TS42053 [0,1,0,0,0,0|3,0,0]=4 341 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [0,1,0,0,0,0|2,1,0]=4 342 B13R2.369 Cc1cc2c(cc1C)nccn2 TS41926 [0,1,0,0,0,0|3,0,0]=4 343 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [0,1,0,0,0,0|1,0,0]=2 344 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [0,1,0,0,0,0|2,0,0]=3 345 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [0,1,0,0,0,0|2,0,0]=3 346 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [0,1,0,0,0,0|2,0,0]=3 347 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [0,1,0,0,0,0|1,1,0]=3 348 B13R2.369 Cc1cc2ccncc2cc1F TS32676 [0,1,0,0,0,0|2,0,0]=3 349 B13R2.369 c1cc2cc(c(cc2nc1)F)F TS11983 [0,1,0,0,0,0|2,0,0]=3 350 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [0,1,0,0,0,0|2,1,0]=4 351 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [0,1,0,0,0,0|1,1,0]=3 352 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [0,1,0,0,0,0|1,1,0]=3 353 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [0,1,0,0,0,0|1,1,0]=3 354 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [0,1,0,0,0,0|2,0,0]=3 355 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [0,1,0,0,0,0|2,0,0]=3 356 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [0,1,0,0,0,0|2,1,0]=4 357 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl TS08792 [0,1,0,0,0,0|3,0,0]=4 358 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N TS91481 [0,1,0,0,0,0|3,0,0]=4 359 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)O TS89025 [0,1,0,0,0,0|2,1,0]=4 360 B13R2.369 c1ccc2c(c1)nc(c(n2)N)N TS42172 [0,1,0,0,0,0|3,0,0]=4 361 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O TS11508 [0,1,0,0,0,0|2,1,0]=4 362 B13R2.369 c1ccc2c(c1)nc(c(n2)S)S TS17931 [0,1,0,0,0,0|2,0,0]=3 363 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS54883 [0,1,0,0,0,0|1,0,0]=2 364 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS65622 [0,1,0,0,0,0|1,0,0]=2 365 B13R2.369 c1ccc2cc(c(cc2c1)Br)I TS63813 [0,1,0,0,0,0|1,0,0]=2 366 B13R2.369 c1ccc2cc(c(cc2c1)I)I TS80354 [0,1,0,0,0,0|1,0,0]=2 367 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [0,1,0,0,0,0|1,0,0]=2 368 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [0,1,0,0,0,0|0,1,0]=2 369 B13R2.369 c1ccc2cc(c(cc2c1)O)O TS59582 [0,1,0,0,0,0|0,1,0]=2 370 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 TS42129 [0,1,0,0,0,0|1,1,0]=3 371 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Br TS60271 [0,1,0,0,0,0|2,0,0]=3 372 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C TS41807 [0,1,0,0,0,0|2,0,0]=3 373 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl TS00938 [0,1,0,0,0,0|2,0,0]=3 374 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O TS11124 [0,1,0,0,0,0|1,1,0]=3 375 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N TS42056 [0,1,0,0,0,0|3,0,0]=4 376 B13R2.3683 Cc1ccc2c(c1)ncc(n2)O TS01060 [0,1,0,0,0,0|2,1,0]=4 377 B13R2.3683 Cc1ccc2cc(ccc2c1)Br TS49912 [0,1,0,0,0,0|1,0,0]=2 378 B13R2.3683 Cc1ccc2cc(ccc2c1)F TS42175 [0,1,0,0,0,0|1,0,0]=2 379 B13R2.3683 Cc1ccc2cc(ccc2c1)O TS10991 [0,1,0,0,0,0|0,1,0]=2 380 B13R2.3683 Cc1ccc2cc(ccc2n1)Br TS22919 [0,1,0,0,0,0|2,0,0]=3 381 B13R2.3683 Cc1ccc2cc(ccc2n1)Cl TS14103 [0,1,0,0,0,0|2,0,0]=3 382 B13R2.3683 Cc1ccc2cc(ccc2n1)F TS11393 [0,1,0,0,0,0|2,0,0]=3 383 B13R2.3683 Cc1ccc2cc(ccc2n1)N TS41914 [0,1,0,0,0,0|2,0,0]=3 384 B13R2.3683 Cc1ccc2cc(ccc2n1)O TS42045 [0,1,0,0,0,0|1,1,0]=3 385 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br TS16481 [0,1,0,0,0,0|1,1,0]=3 386 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O TS93479 [0,1,0,0,0,0|1,1,0]=3 387 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N TS53918 [0,1,0,0,0,0|1,1,0]=3 388 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [0,1,0,0,0,0|1,1,0]=3 389 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br TS00697 [0,1,0,0,0,0|1,0,0]=2 390 B13R2.3683 c1cc(cc2c1cc(cc2)Br)F TS08359 [0,1,0,0,0,0|1,0,0]=2 391 B13R2.3683 c1cc(cc2c1cc(cc2)Br)N TS00796 [0,1,0,0,0,0|1,0,0]=2 392 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O TS33200 [0,1,0,0,0,0|0,1,0]=2 393 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)Cl TS53803 [0,1,0,0,0,0|1,0,0]=2 394 B13R2.3683 c1cc(cc2c1cc(cc2)O)O TS42138 [0,1,0,0,0,0|0,1,0]=2 395 B13R2.3683 c1cc(cc2c1cc(cc2)S)S TS51558 [0,1,0,0,0,0|0,0,0]=1 396 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br TS87781 [0,1,0,0,0,0|2,0,0]=3 397 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br TS89312 [0,1,0,0,0,0|2,0,0]=3 398 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl TS55546 [0,1,0,0,0,0|2,0,0]=3 399 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl TS32896 [0,1,0,0,0,0|2,0,0]=3 400 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N TS47632 [0,1,0,0,0,0|2,0,0]=3 401 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O TS02272 [0,1,0,0,0,0|1,1,0]=3 402 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl TS55265 [0,1,0,0,0,0|2,0,0]=3 403 B13R2.3683 c1cc(nc2c1cc(cc2)I)O TS94279 [0,1,0,0,0,0|1,1,0]=3 404 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl TS90731 [0,1,0,0,0,0|3,0,0]=4 405 B13R2.3683 c1cc2c(cc1Br)cnc(=O)[nH]2 TS55542 [0,1,0,0,0,0|2,1,0]=4 406 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl TS86670 [0,1,0,0,0,0|3,0,0]=4 407 B13R2.3683 c1cc2c(cc1Br)ncc(n2)Cl TS55547 [0,1,0,0,0,0|3,0,0]=4 408 B13R2.3683 c1cc2c(cc1Br)ncc(n2)N TS22921 [0,1,0,0,0,0|3,0,0]=4 409 B13R2.3683 c1cc2c(cc1Cl)ncc(=O)[nH]2 TS16488 [0,1,0,0,0,0|2,1,0]=4 410 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)Cl TS54147 [0,1,0,0,0,0|3,0,0]=4 411 B13R2.5179 Cc1c2ccc(=O)[nH]c2ccn1 TS42158 [0,1,0,0,0,0|2,1,0]=4 412 B13R2.5179 Cc1ccc2c(c1)cc[nH]c2=O TS11140 [0,1,0,0,0,0|2,0,0]=3 413 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl TS14112 [0,1,0,0,0,0|2,0,0]=3 414 B13R2.5179 Cc1ccc2c(c1)ccnc2N TS41929 [0,1,0,0,0,0|2,0,0]=3 415 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl TS47641 [0,1,0,0,0,0|3,0,0]=4 416 B13R2.5179 Cc1ccc2c(cccc2c1)C TS41659 [0,1,0,0,0,0|1,0,0]=2 417 B13R2.5179 Cc1ccc2c(cccc2n1)N TS41923 [0,1,0,0,0,0|2,0,0]=3 418 B13R2.5179 Cc1ccc2c(ccnc2c1)Br TS50049 [0,1,0,0,0,0|2,0,0]=3 419 B13R2.5179 Cc1cccc2n1ccc(=O)n2 TS11252 [0,1,0,0,0,0|2,1,0]=4 420 B13R2.5179 c1cc2c(c(c1)Cl)C=CN(O2)S TS93574 [0,1,0,0,0,0|2,0,0]=3 421 B13R2.5179 c1cc2c(cc1Br)cn[nH]c2=O TS32665 [0,1,0,0,0,0|3,0,0]=4 422 B13R2.5179 c1cc2c(cc1Br)cnnc2Cl TS86674 [0,1,0,0,0,0|3,0,0]=4 423 B13R2.5179 c1cc2c(cc1Br)nc[nH]c2=O TS90348 [0,1,0,0,0,0|3,0,0]=4 424 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl TS16493 [0,1,0,0,0,0|3,0,0]=4 425 B13R2.5179 c1cc2c(cc1Cl)cn[nH]c2=O TS90513 [0,1,0,0,0,0|3,0,0]=4 426 B13R2.5179 c1cc2c(cc1Cl)cnnc2Cl TS87820 [0,1,0,0,0,0|3,0,0]=4 427 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl TS32619 [0,1,0,0,0,0|3,0,0]=4 428 B13R2.5179 c1cc2c(cc1F)nc[nH]c2=O TS87705 [0,1,0,0,0,0|3,0,0]=4 429 B13R2.5179 c1cc2c(cc1F)ncnc2Cl TS09671 [0,1,0,0,0,0|3,0,0]=4 430 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br TS22915 [0,1,0,0,0,0|2,0,0]=3 431 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl TS14473 [0,1,0,0,0,0|2,0,0]=3 432 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N TS85760 [0,1,0,0,0,0|2,0,0]=3 433 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1O TS11367 [0,1,0,0,0,0|1,1,0]=3 434 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O TS11377 [0,1,0,0,0,0|1,1,0]=3 435 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl TS18555 [0,1,0,0,0,0|2,0,0]=3 436 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br TS55536 [0,1,0,0,0,0|2,0,0]=3 437 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl TS18560 [0,1,0,0,0,0|2,0,0]=3 438 B13R2.5179 c1cc2c(ccnc2N)cc1Br TS16470 [0,1,0,0,0,0|2,0,0]=3 439 B13R2.5179 c1cc2c(ccnc2N)cc1Cl TS47633 [0,1,0,0,0,0|2,0,0]=3 440 B13R2.5179 c1cc2c(ccnc2cc1Br)Br TS35019 [0,1,0,0,0,0|2,0,0]=3 441 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl TS16494 [0,1,0,0,0,0|2,0,0]=3 442 B13R2.5179 c1cc2c(ccnc2cc1Br)N TS70905 [0,1,0,0,0,0|2,0,0]=3 443 B13R2.5179 c1cc2c(ccnc2cc1Br)O TS16496 [0,1,0,0,0,0|2,0,0]=3 444 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br TS26917 [0,1,0,0,0,0|2,0,0]=3 445 B13R2.5179 c1cc2c(ccnc2cc1Cl)Cl TS60042 [0,1,0,0,0,0|2,0,0]=3 446 B13R2.5179 c1cc2c(ccnc2cc1Cl)N TS47635 [0,1,0,0,0,0|2,0,0]=3 447 B13R2.5179 c1cc2c(ccnc2cc1Cl)O TS39795 [0,1,0,0,0,0|2,0,0]=3 448 B13R2.5179 c1cc2c(ccnc2cc1F)Br TS70987 [0,1,0,0,0,0|2,0,0]=3 449 B13R2.5179 c1cc2c(ccnc2cc1F)Cl TS14837 [0,1,0,0,0,0|2,0,0]=3 450 B13R2.5179 c1cc2c(ccnc2cc1F)N TS11524 [0,1,0,0,0,0|2,0,0]=3 451 B13R2.5179 c1cc2c(ccnc2cc1F)O TS11665 [0,1,0,0,0,0|2,0,0]=3 452 B13R2.5179 c1cc2c(ccnc2cc1I)Cl TS55682 [0,1,0,0,0,0|2,0,0]=3 453 B13R2.5179 c1cc2c(ccnc2cc1I)N TS30744 [0,1,0,0,0,0|2,0,0]=3 454 B13R2.5179 c1cc2c(ccnc2cc1I)O TS71164 [0,1,0,0,0,0|2,0,0]=3 455 B13R2.5179 c1cc2c(ccnc2cc1O)Cl TS14467 [0,1,0,0,0,0|1,1,0]=3 456 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br TS91243 [0,1,0,0,0,0|3,0,0]=4 457 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl TS14478 [0,1,0,0,0,0|3,0,0]=4 458 B13R2.5179 c1cc2cc(ccc2c(c1)N)O TS11148 [0,1,0,0,0,0|0,1,0]=2 459 B13R2.5179 c1cc2cc(ccc2c(c1)O)N TS42041 [0,1,0,0,0,0|1,0,0]=2 460 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [0,1,0,0,0,0|0,1,0]=2 461 B13R2.5179 c1cc2cc(cnc2c(c1)F)I TS74315 [0,1,0,0,0,0|2,0,0]=3 462 B13R2.5179 c1cnc2cc(cnc2c1Br)Br TS87959 [0,1,0,0,0,0|3,0,0]=4 463 B13R2.5179 c1cnc2cc(cnc2c1Cl)Br TS89670 [0,1,0,0,0,0|3,0,0]=4 464 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS63649 [0,1,0,0,0,0|3,0,0]=4 465 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS90225 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [0,0,1,0,0,0|1,0,2]=4 467 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [0,0,1,0,0,0|2,0,1]=4 468 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [0,0,1,0,0,0|1,0,2]=4 469 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [0,0,1,0,0,0|2,0,1]=4 470 B11R1.1 c1cc(ccc1C=CC#N)F TS07310 [0,0,1,0,0,0|2,0,1]=4 471 B11R1.1 c1cc(ccc1C=CC#N)O TS07078 [0,0,1,0,0,0|1,1,1]=4 472 B11R1.1 c1cc(ccc1C=CC=O)Br TS21058 [0,0,1,0,0,0|2,0,0]=3 473 B11R1.1 c1cc(ccc1C=CC=O)Cl TS12306 [0,0,1,0,0,0|2,0,0]=3 474 B11R1.1 c1cc(ccc1C=CC=O)F TS03090 [0,0,1,0,0,0|2,0,0]=3 475 B11R1.17 c1ccc(c(c1)C=CC=O)Br TS21065 [0,0,1,0,0,0|1,1,0]=3 476 B11R1.17 c1ccc(c(c1)C=CC=O)Cl TS12303 [0,0,1,0,0,0|1,1,0]=3 477 B11R1.17 c1ccc(c(c1)C=CC=O)O TS07424 [0,0,1,0,0,0|1,1,0]=3 478 B11R1.24 c1cc(cc(c1)Br)C=CC=O TS21060 [0,0,1,0,0,0|2,0,0]=3 479 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,0,1,0,0,0|1,1,0]=3 480 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,0,1,0,0,0|2,0,0]=3 481 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,0,1,0,0,0|2,0,1]=4 482 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,0,1,0,0,0|1,0,2]=4 483 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [0,0,1,0,0,0|2,0,0]=3 484 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [0,0,1,0,0,0|2,0,0]=3 485 B11R1.91 B(C=Cc1ccccc1)(O)O TS07400 [0,0,1,0,0,0|2,1,0]=4 486 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,0,1,0,0,0|2,0,1]=4 487 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,0,1,0,0,0|2,0,1]=4 488 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,1,0,0,0|2,0,1]=4 489 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,1,0,0,0|0,1,1]=3 490 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,1,0,0,0|0,1,1]=3 491 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [0,0,1,0,0,0|2,1,0]=4 492 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [0,0,1,0,0,0|1,1,0]=3 493 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [0,0,1,0,0,0|1,1,0]=3 494 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,0,1,0,0,0|1,1,0]=3 495 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [0,0,1,0,0,0|1,1,0]=3 496 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [0,0,1,0,0,0|1,1,0]=3 497 B11R1.91 c1ccc(cc1)C=C[N+](=O)[O-] TS40725 [0,0,1,0,0,0|2,1,0]=4 498 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [0,0,1,0,0,0|2,1,0]=4 499 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [0,0,1,0,0,0|2,1,0]=4 500 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,0,1,0,0,0|2,0,1]=4 501 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,0,0,0,1,0|1,0,1]=3 502 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,0,0,0,1,0|3,0,0]=4 503 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,0,0,0,1,0|3,0,0]=4 504 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,0,0,0,1,0|3,0,0]=4 505 B11R2.1 Cc1c2ccccn2cn1 TS36686 [0,0,0,0,1,0|3,0,0]=4 506 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,0,0,0,1,0|2,0,0]=3 507 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [0,0,0,0,1,0|3,0,0]=4 508 B11R2.1 Cc1c[nH]c2c1nccc2 TS36677 [0,0,0,0,1,0|3,0,0]=4 509 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,0,0,0,1,0|2,0,0]=3 510 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,0,0,0,1,0|2,0,0]=3 511 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,0,0,0,1,0|3,0,0]=4 512 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,0,0,0,1,0|2,0,0]=3 513 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,0,0,0,1,0|3,0,0]=4 514 B11R2.1 c1cc2c(c(c[nH]2)Br)nc1 TS18390 [0,0,0,0,1,0|3,0,0]=4 515 B11R2.1 c1cc2c(c(c[nH]2)Cl)nc1 TS10255 [0,0,0,0,1,0|3,0,0]=4 516 B11R2.1 c1cc2c(c(c[nH]2)I)nc1 TS61934 [0,0,0,0,1,0|3,0,0]=4 517 B11R2.1 c1cc2c(c(cs2)Br)nc1 TS90067 [0,0,0,0,1,0|3,0,0]=4 518 B11R2.1 c1cc2c(c[nH]c2nc1)Br TS09471 [0,0,0,0,1,0|3,0,0]=4 519 B11R2.1 c1cc2c(c[nH]c2nc1)Cl TS41209 [0,0,0,0,1,0|3,0,0]=4 520 B11R2.1 c1cc2c(c[nH]c2nc1)I TS02807 [0,0,0,0,1,0|3,0,0]=4 521 B11R2.1 c1cc2c(c[nH]c2nc1)I TS85593 [0,0,0,0,1,0|3,0,0]=4 522 B11R2.1 c1cc2c(c[nH]c2nc1)N TS59907 [0,0,0,0,1,0|3,0,0]=4 523 B11R2.1 c1cc2c(c[nH]c2nc1)N TS65873 [0,0,0,0,1,0|3,0,0]=4 524 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,0,1,0|1,1,1]=4 525 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,0,0,0,1,0|1,0,1]=3 526 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,0,1,0|0,1,2]=4 527 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,0,0,0,1,0|2,0,1]=4 528 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,0,0,0,1,0|1,1,1]=4 529 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,0,0,0,1,0|1,1,1]=4 530 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,0,0,0,1,0|2,1,0]=4 531 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,0,0,0,1,0|2,1,0]=4 532 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,0,0,0,1,0|2,0,0]=3 533 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,0,0,0,1,0|2,0,0]=3 534 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,0,0,0,1,0|2,0,0]=3 535 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,0,0,0,1,0|1,1,0]=3 536 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [0,0,0,0,1,0|2,0,0]=3 537 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [0,0,0,0,1,0|2,0,0]=3 538 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [0,0,0,0,1,0|2,0,0]=3 539 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [0,0,0,0,1,0|1,1,0]=3 540 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,0,0,0,1,0|3,0,0]=4 541 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,0,0,0,1,0|3,0,0]=4 542 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,0,0,0,1,0|3,0,0]=4 543 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,0,0,0,1,0|3,0,0]=4 544 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,0,0,0,1,0|2,1,0]=4 545 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [0,0,0,0,1,0|3,0,0]=4 546 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,0,0,0,1,0|3,0,0]=4 547 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [0,0,0,0,1,0|2,1,0]=4 548 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [0,0,0,0,1,0|3,0,0]=4 549 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,0,0,0,1,0|3,0,0]=4 550 B11R2.1 c1ccc2c(c1)ccn2N TS64998 [0,0,0,0,1,0|2,0,0]=3 551 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [0,0,0,0,1,0|1,1,0]=3 552 B11R2.1 c1ccc2c(c1)ncn2N TS05823 [0,0,0,0,1,0|3,0,0]=4 553 B11R2.1 c1ccn2c(c1)c(cn2)Br TS18400 [0,0,0,0,1,0|3,0,0]=4 554 B11R2.1 c1ccn2c(c1)c(cn2)N TS36762 [0,0,0,0,1,0|3,0,0]=4 555 B11R2.1 c1ccn2c(c1)ncc2Br TS60010 [0,0,0,0,1,0|3,0,0]=4 556 B11R2.1 c1ccn2c(c1)ncc2Cl TS10249 [0,0,0,0,1,0|3,0,0]=4 557 B11R2.1 c1ccn2c(c1)ncc2I TS61936 [0,0,0,0,1,0|3,0,0]=4 558 B11R2.1 c1ccn2c(c1)ncc2N TS36759 [0,0,0,0,1,0|3,0,0]=4 559 B11R2.1 c1ccn2c(c1)nnc2S TS10064 [0,0,0,0,1,0|3,0,0]=4 560 B11R2.1 c1ccn2cnc(c2c1)Br TS18393 [0,0,0,0,1,0|3,0,0]=4 561 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [0,0,0,0,1,0|3,0,0]=4 562 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [0,0,0,0,1,0|3,0,0]=4 563 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [0,0,0,0,1,0|3,0,0]=4 564 B11R2.1 c1cncc2c1c(c[nH]2)Br TS18399 [0,0,0,0,1,0|3,0,0]=4 565 B11R2.1 c1cncc2c1c(c[nH]2)I TS61932 [0,0,0,0,1,0|3,0,0]=4 566 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,0,0,0,1,0|1,0,1]=3 567 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,0,0,0,1,0|3,0,0]=4 568 B11R2.10 Cc1cc2c([nH]1)cccn2 TS05747 [0,0,0,0,1,0|3,0,0]=4 569 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,0,0,0,1,0|2,0,0]=3 570 B11R2.10 Cc1cc2ccccc2o1 TS01131 [0,0,0,0,1,0|2,0,0]=3 571 B11R2.10 Cc1cc2ccccc2s1 TS07494 [0,0,0,0,1,0|2,0,0]=3 572 B11R2.10 Cc1cc2cccnc2[nH]1 TS01126 [0,0,0,0,1,0|3,0,0]=4 573 B11R2.10 Cc1cc2ccncc2[nH]1 TS05741 [0,0,0,0,1,0|3,0,0]=4 574 B11R2.10 Cc1cc2cnccc2[nH]1 TS36678 [0,0,0,0,1,0|3,0,0]=4 575 B11R2.10 Cc1cn2ccccc2n1 TS65603 [0,0,0,0,1,0|3,0,0]=4 576 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [0,0,0,0,1,0|3,0,0]=4 577 B11R2.10 Cc1nc2ccccc2o1 TS36749 [0,0,0,0,1,0|3,0,0]=4 578 B11R2.10 Cc1nc2ccccc2s1 TS01132 [0,0,0,0,1,0|3,0,0]=4 579 B11R2.10 Cn1cc2ccccc2n1 TS86923 [0,0,0,0,1,0|3,0,0]=4 580 B11R2.10 c1cc2c(nc1)nc([nH]2)S TS41027 [0,0,0,0,1,0|3,0,0]=4 581 B11R2.10 c1cc2c(nc1)nc(o2)S TS10170 [0,0,0,0,1,0|3,0,0]=4 582 B11R2.10 c1cc2c(nc1)sc(n2)S TS12578 [0,0,0,0,1,0|3,0,0]=4 583 B11R2.10 c1cc2cc([nH]c2nc1)Br TS18392 [0,0,0,0,1,0|3,0,0]=4 584 B11R2.10 c1cc2cc([nH]c2nc1)I TS87877 [0,0,0,0,1,0|3,0,0]=4 585 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,0,0,0,1,0|1,0,1]=3 586 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,0,1,0|0,1,2]=4 587 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,0,0,0,1,0|1,1,1]=4 588 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,0,0,0,1,0|1,0,2]=4 589 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [0,0,0,0,1,0|2,1,0]=4 590 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [0,0,0,0,1,0|3,0,0]=4 591 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [0,0,0,0,1,0|3,0,0]=4 592 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [0,0,0,0,1,0|3,0,0]=4 593 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,0,0,0,1,0|3,0,0]=4 594 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [0,0,0,0,1,0|2,1,0]=4 595 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [0,0,0,0,1,0|2,0,0]=3 596 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [0,0,0,0,1,0|2,0,0]=3 597 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [0,0,0,0,1,0|2,0,0]=3 598 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,0,0,0,1,0|2,0,0]=3 599 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [0,0,0,0,1,0|2,0,0]=3 600 B11R2.10 c1ccc2c(c1)nc([se]2)S TS44462 [0,0,0,0,1,0|2,0,0]=3 601 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [0,0,0,0,1,0|3,0,0]=4 602 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,0,0,0,1,0|3,0,0]=4 603 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [0,0,0,0,1,0|2,0,0]=3 604 B11R2.10 c1ccc2c(c1)nc(s2)Br TS00846 [0,0,0,0,1,0|3,0,0]=4 605 B11R2.10 c1ccc2c(c1)nc(s2)Cl TS07939 [0,0,0,0,1,0|3,0,0]=4 606 B11R2.10 c1ccc2c(c1)nc(s2)F TS41271 [0,0,0,0,1,0|3,0,0]=4 607 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,0,0,0,1,0|3,0,0]=4 608 B11R2.10 c1ccc2c(c1)nc(s2)S TS39815 [0,0,0,0,1,0|2,0,0]=3 609 B11R2.10 c1ccc2c(c1)nc(s2)S TS80959 [0,0,0,0,1,0|2,0,0]=3 610 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [0,0,0,0,1,0|2,1,0]=4 611 B11R2.10 c1ccn2c(c1)cc(n2)Cl TS00955 [0,0,0,0,1,0|3,0,0]=4 612 B11R2.10 c1cncc2c1cc([nH]2)Br TS18401 [0,0,0,0,1,0|3,0,0]=4 613 B11R2.36 Cc1cc2c(cc[nH]2)cn1 TS05742 [0,0,0,0,1,0|3,0,0]=4 614 B11R2.36 Cc1cc2c(cc[nH]2)nc1 TS86014 [0,0,0,0,1,0|3,0,0]=4 615 B11R2.36 Cc1cc2cc[nH]c2nc1 TS36683 [0,0,0,0,1,0|3,0,0]=4 616 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,0,0,0,1,0|3,0,0]=4 617 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,0,0,0,1,0|2,0,0]=3 618 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,0,0,0,1,0|2,0,0]=3 619 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,0,0,0,1,0|3,0,0]=4 620 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [0,0,0,0,1,0|3,0,0]=4 621 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [0,0,0,0,1,0|3,0,0]=4 622 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,0,0,0,1,0|3,0,0]=4 623 B11R2.36 Cc1ccc2c(n1)cc[nH]2 TS05745 [0,0,0,0,1,0|3,0,0]=4 624 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,0,0,0,1,0|2,0,0]=3 625 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,0,0,0,1,0|2,0,0]=3 626 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,0,0,0,1,0|3,0,0]=4 627 B11R2.36 Cc1ccc2nccn2c1 TS05746 [0,0,0,0,1,0|3,0,0]=4 628 B11R2.36 Cc1ccn2ccnc2c1 TS05739 [0,0,0,0,1,0|3,0,0]=4 629 B11R2.36 c1c[nH]c2c1cc(cn2)Br TS71451 [0,0,0,0,1,0|3,0,0]=4 630 B11R2.36 c1c[nH]c2c1cc(cn2)Cl TS71484 [0,0,0,0,1,0|3,0,0]=4 631 B11R2.36 c1c[nH]c2c1cc(cn2)F TS03300 [0,0,0,0,1,0|3,0,0]=4 632 B11R2.36 c1c[nH]c2c1cc(cn2)I TS61941 [0,0,0,0,1,0|3,0,0]=4 633 B11R2.36 c1c[nH]c2c1cc(cn2)N TS03239 [0,0,0,0,1,0|3,0,0]=4 634 B11R2.36 c1c[nH]c2c1cc(cn2)N TS91549 [0,0,0,0,1,0|3,0,0]=4 635 B11R2.36 c1c[nH]c2c1cc(cn2)O TS00458 [0,0,0,0,1,0|2,1,0]=4 636 B11R2.36 c1c[nH]c2c1cc(nc2)Br TS18398 [0,0,0,0,1,0|3,0,0]=4 637 B11R2.36 c1c[nH]c2c1cc(nc2)Cl TS10248 [0,0,0,0,1,0|3,0,0]=4 638 B11R2.36 c1c[nH]c2c1cc(nc2)N TS86055 [0,0,0,0,1,0|3,0,0]=4 639 B11R2.36 c1c[nH]c2c1cnc(c2)Br TS85649 [0,0,0,0,1,0|3,0,0]=4 640 B11R2.36 c1c[nH]c2c1cnc(c2)Cl TS08425 [0,0,0,0,1,0|3,0,0]=4 641 B11R2.36 c1c[nH]c2c1cnc(c2)F TS36972 [0,0,0,0,1,0|3,0,0]=4 642 B11R2.36 c1c[nH]c2c1cnc(c2)N TS36763 [0,0,0,0,1,0|3,0,0]=4 643 B11R2.36 c1c[nH]c2c1ncc(c2)Br TS59728 [0,0,0,0,1,0|3,0,0]=4 644 B11R2.36 c1c[nH]c2c1ncc(c2)Cl TS10251 [0,0,0,0,1,0|3,0,0]=4 645 B11R2.36 c1c[nH]c2c1ncc(c2)F TS86780 [0,0,0,0,1,0|3,0,0]=4 646 B11R2.36 c1c[nH]c2c1ncc(c2)I TS85685 [0,0,0,0,1,0|3,0,0]=4 647 B11R2.36 c1c[nH]c2c1ncc(c2)N TS36757 [0,0,0,0,1,0|3,0,0]=4 648 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [0,0,0,0,1,0|2,0,0]=3 649 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [0,0,0,0,1,0|2,0,0]=3 650 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [0,0,0,0,1,0|2,0,0]=3 651 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [0,0,0,0,1,0|2,0,0]=3 652 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [0,0,0,0,1,0|1,1,0]=3 653 B11R2.36 c1cc(cn2c1ccn2)Br TS91371 [0,0,0,0,1,0|3,0,0]=4 654 B11R2.36 c1cc(nc2c1[nH]cc2)Br TS16999 [0,0,0,0,1,0|3,0,0]=4 655 B11R2.36 c1cc(nc2c1[nH]cc2)Cl TS03274 [0,0,0,0,1,0|3,0,0]=4 656 B11R2.36 c1cc(nc2c1[nH]cc2)N TS59672 [0,0,0,0,1,0|3,0,0]=4 657 B11R2.36 c1cc(nc2c1cc[nH]2)Br TS55553 [0,0,0,0,1,0|3,0,0]=4 658 B11R2.36 c1cc(nc2c1cc[nH]2)Cl TS08430 [0,0,0,0,1,0|3,0,0]=4 659 B11R2.36 c1cc(nc2c1cc[nH]2)F TS36971 [0,0,0,0,1,0|3,0,0]=4 660 B11R2.36 c1cc(nc2c1cc[nH]2)I TS61939 [0,0,0,0,1,0|3,0,0]=4 661 B11R2.36 c1cc(nc2c1cc[nH]2)N TS00459 [0,0,0,0,1,0|3,0,0]=4 662 B11R2.36 c1cc(nc2c1scc2)Cl TS89295 [0,0,0,0,1,0|3,0,0]=4 663 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [0,0,0,0,1,0|1,0,1]=3 664 B11R2.36 c1cc2c(cc1Br)cn[nH]2 TS71464 [0,0,0,0,1,0|3,0,0]=4 665 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [0,0,0,0,1,0|3,0,0]=4 666 B11R2.36 c1cc2c(cc1Br)ncs2 TS71457 [0,0,0,0,1,0|3,0,0]=4 667 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [0,0,0,0,1,0|3,0,0]=4 668 B11R2.36 c1cc2c(cc1Br)scn2 TS55556 [0,0,0,0,1,0|3,0,0]=4 669 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [0,0,0,0,1,0|1,0,1]=3 670 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 TS41215 [0,0,0,0,1,0|3,0,0]=4 671 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 TS89463 [0,0,0,0,1,0|3,0,0]=4 672 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [0,0,0,0,1,0|3,0,0]=4 673 B11R2.36 c1cc2c(cc1Cl)ncs2 TS12735 [0,0,0,0,1,0|3,0,0]=4 674 B11R2.36 c1cc2c(cc1Cl)scn2 TS12737 [0,0,0,0,1,0|3,0,0]=4 675 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [0,0,0,0,1,0|1,0,1]=3 676 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [0,0,0,0,1,0|3,0,0]=4 677 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [0,0,0,0,1,0|3,0,0]=4 678 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [0,0,0,0,1,0|3,0,0]=4 679 B11R2.36 c1cc2c(cc1I)cn[nH]2 TS03347 [0,0,0,0,1,0|3,0,0]=4 680 B11R2.36 c1cc2c(cc1N)[nH]cn2 TS03240 [0,0,0,0,1,0|3,0,0]=4 681 B11R2.36 c1cc2c(cc1N)cn[nH]2 TS71375 [0,0,0,0,1,0|3,0,0]=4 682 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [0,0,0,0,1,0|3,0,0]=4 683 B11R2.36 c1cc2c(cc1N)ncs2 TS09908 [0,0,0,0,1,0|3,0,0]=4 684 B11R2.36 c1cc2c(cc1N)ocn2 TS01204 [0,0,0,0,1,0|3,0,0]=4 685 B11R2.36 c1cc2c(cc1N)scn2 TS01203 [0,0,0,0,1,0|3,0,0]=4 686 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [0,0,0,0,1,0|2,1,0]=4 687 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [0,0,0,0,1,0|2,0,0]=3 688 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [0,0,0,0,1,0|2,0,0]=3 689 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [0,0,0,0,1,0|2,0,0]=3 690 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [0,0,0,0,1,0|2,0,0]=3 691 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [0,0,0,0,1,0|2,0,0]=3 692 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [0,0,0,0,1,0|2,0,0]=3 693 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [0,0,0,0,1,0|1,1,0]=3 694 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [0,0,0,0,1,0|2,0,0]=3 695 B11R2.36 c1cc2c(cco2)cc1N TS36754 [0,0,0,0,1,0|2,0,0]=3 696 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [0,0,0,0,1,0|2,0,0]=3 697 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [0,0,0,0,1,0|2,0,0]=3 698 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [0,0,0,0,1,0|2,0,0]=3 699 B11R2.36 c1cc2c(ccs2)cc1N TS60421 [0,0,0,0,1,0|2,0,0]=3 700 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [0,0,0,0,1,0|3,0,0]=4 701 B11R2.36 c1cc2cn[nH]c2cc1Cl TS10256 [0,0,0,0,1,0|3,0,0]=4 702 B11R2.36 c1cc2cn[nH]c2cc1F TS01222 [0,0,0,0,1,0|3,0,0]=4 703 B11R2.36 c1cc2cn[nH]c2cc1I TS01243 [0,0,0,0,1,0|3,0,0]=4 704 B11R2.36 c1cc2cn[nH]c2cc1N TS46953 [0,0,0,0,1,0|3,0,0]=4 705 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [0,0,0,0,1,0|2,1,0]=4 706 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [0,0,0,0,1,0|3,0,0]=4 707 B11R2.36 c1cc2nccn2cc1Br TS71461 [0,0,0,0,1,0|3,0,0]=4 708 B11R2.36 c1cc2nccn2cc1Br TS88050 [0,0,0,0,1,0|3,0,0]=4 709 B11R2.36 c1cc2nccn2cc1Cl TS08433 [0,0,0,0,1,0|3,0,0]=4 710 B11R2.36 c1cc2nccn2cc1I TS61937 [0,0,0,0,1,0|3,0,0]=4 711 B11R2.36 c1cc2nccn2cc1N TS05825 [0,0,0,0,1,0|3,0,0]=4 712 B11R2.36 c1cc2nccn2cc1O TS36824 [0,0,0,0,1,0|2,1,0]=4 713 B11R2.36 c1cn2ccnc2cc1Br TS90728 [0,0,0,0,1,0|3,0,0]=4 714 B11R2.36 c1cn2ccnc2cc1Cl TS16505 [0,0,0,0,1,0|3,0,0]=4 715 B11R2.36 c1cn2ccnc2cc1N TS88139 [0,0,0,0,1,0|3,0,0]=4 716 B11R2.36 c1cnn2c1cc(cc2)Br TS85985 [0,0,0,0,1,0|3,0,0]=4 717 B11R2.36 c1coc2c1cc(cn2)N TS90104 [0,0,0,0,1,0|3,0,0]=4 718 B11R2.36 c1csc2c1cc(cn2)N TS86798 [0,0,0,0,1,0|3,0,0]=4 719 B11R2.36 c1csc2c1cc(nc2)Cl TS86449 [0,0,0,0,1,0|3,0,0]=4 720 B13R2.3729 c1cc2c(cc1Br)CCCC=C2 TS50272 [0,0,0,0,0,1|1,0,2]=4 721 B13R2.3729 c1cc2c(cc1Cl)CCCC=C2 TS47646 [0,0,0,0,0,1|1,0,2]=4 722 B13R2.3729 c1cc2c(cc1F)CCCC=C2 TS42472 [0,0,0,0,0,1|1,0,2]=4 723 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,0,1,0,0,0|0,1,1]=4 724 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,0,1,0,0,0|1,0,1]=4 725 B10R1.17 C=CC=Cc1ccccc1 TS36510 [1,0,1,0,0,0|0,0,0]=2 726 B10R1.17 C=CCCc1ccccc1 TS36707 [1,0,1,0,0,0|0,0,2]=4 727 B10R1.17 C=CCNc1ccccc1 TS05848 [1,0,1,0,0,0|1,0,1]=4 728 B10R1.17 C=CCOc1ccccc1 TS36847 [1,0,1,0,0,0|1,0,1]=4 729 B10R1.17 C=CCSc1ccccc1 TS40921 [1,0,1,0,0,0|1,0,1]=4 730 B10R1.17 CC=CCc1ccccc1 TS36709 [1,0,1,0,0,0|0,0,2]=4 731 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,0,1,0,0,0|0,0,2]=4 732 B10R1.17 COC=Cc1ccccc1 TS36842 [1,0,1,0,0,0|1,0,1]=4 733 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [1,0,1,0,0,0|1,1,0]=4 734 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [1,0,1,0,0,0|1,0,1]=4 735 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [1,0,1,0,0,0|0,1,0]=3 736 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,0,1,0,0,0|1,0,1]=4 737 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,0,1,0,0,0|1,0,1]=4 738 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,0,1,0,0,0|0,1,1]=4 739 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,0,1,0,0,0|1,0,1]=4 740 B10R1.4 C=CCc1ccccc1O TS36846 [1,0,1,0,0,0|1,0,1]=4 741 B10R1.4 CC=Cc1ccccc1O TS36834 [1,0,1,0,0,0|1,0,1]=4 742 B10R1.4 Cc1ccccc1CC=C TS05766 [1,0,1,0,0,0|0,0,2]=4 743 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,0,1,0,0,0|1,0,1]=4 744 B10R1.20 C=Cc1ccccc1C=C TS36515 [1,0,1,0,0,0|0,0,0]=2 745 B10R1.20 COc1ccccc1C=C TS36839 [1,0,1,0,0,0|1,0,1]=4 746 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [1,0,1,0,0,0|1,1,0]=4 747 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [1,0,1,0,0,0|2,0,0]=4 748 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,0,1,0,0,0|1,0,1]=4 749 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [1,0,1,0,0,0|2,0,0]=4 750 B10R1.30 C=Cc1cc(ccc1F)F TS06428 [1,0,1,0,0,0|2,0,0]=4 751 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [1,0,1,0,0,0|1,0,1]=4 752 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,0,1,0,0,0|1,0,1]=4 753 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,0,1,0,0,0|1,0,1]=4 754 B12R1.16 c1cc(ccc1C(=CC=O)Cl)Cl TS19149 [0,1,1,0,0,0|2,0,0]=4 755 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [0,1,1,0,0,0|1,0,1]=4 756 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [0,1,1,0,0,0|1,0,1]=4 757 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [0,1,1,0,0,0|0,1,1]=4 758 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [0,1,1,0,0,0|2,0,0]=4 759 B12R1.21 c1cc(ccc1C=CC(=O)Cl)Cl TS38030 [0,1,1,0,0,0|2,0,0]=4 760 B12R1.21 c1cc(ccc1C=CC(=O)N)Cl TS14846 [0,1,1,0,0,0|2,0,0]=4 761 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [0,1,1,0,0,0|2,0,0]=4 762 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [0,1,1,0,0,0|2,0,0]=4 763 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [0,1,1,0,0,0|2,0,0]=4 764 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [0,1,1,0,0,0|2,0,0]=4 765 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [0,1,1,0,0,0|2,0,0]=4 766 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [0,1,1,0,0,0|1,1,0]=4 767 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl TS14853 [0,1,1,0,0,0|2,0,0]=4 768 B12R1.49 C=CC(=O)Oc1ccc(cc1)Cl TS48354 [0,1,1,0,0,0|2,0,0]=4 769 B12R1.121 COc1ccccc1C=CC=O TS42444 [0,1,1,0,0,0|0,1,1]=4 770 B12R1.125 CC(=O)C=Cc1ccccc1Cl TS48001 [0,1,1,0,0,0|1,1,0]=4 771 B12R1.125 Cc1ccccc1C=CC(=O)Cl TS14696 [0,1,1,0,0,0|0,1,1]=4 772 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [0,1,1,0,0,0|0,1,1]=4 773 B12R1.125 c1ccc(c(c1)C=CC(=O)Cl)Cl TS38031 [0,1,1,0,0,0|1,1,0]=4 774 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [0,1,1,0,0,0|1,1,0]=4 775 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [0,1,1,0,0,0|1,1,0]=4 776 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [0,1,1,0,0,0|1,1,0]=4 777 B12R1.1631 c1cc(c(c(c1)F)C=CC=O)F TS12475 [0,1,1,0,0,0|1,1,0]=4 778 B12R1.226 Cc1cccc(c1)C=CC(=O)Cl TS14697 [0,1,1,0,0,0|2,0,0]=4 779 B12R1.226 Cc1cccc(c1)C=CC(=O)O TS11541 [0,1,1,0,0,0|2,0,0]=4 780 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O TS24314 [0,1,1,0,0,0|2,0,0]=4 781 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [0,1,1,0,0,0|2,0,0]=4 782 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O TS65085 [0,1,1,0,0,0|2,0,0]=4 783 B12R1.226 c1cc(cc(c1)O)C=CC(=O)O TS42701 [0,1,1,0,0,0|1,1,0]=4 784 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [0,1,1,0,0,0|0,1,1]=4 785 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [0,1,1,0,0,0|1,1,0]=4 786 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [0,1,1,0,0,0|1,1,0]=4 787 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [0,1,1,0,0,0|2,0,0]=4 788 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [0,1,1,0,0,0|2,0,0]=4 789 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [0,1,1,0,0,0|2,0,0]=4 790 B12R1.27 CC(=NO)C=Cc1ccccc1 TS42315 [0,1,1,0,0,0|0,1,1]=4 791 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [0,1,1,0,0,0|0,1,1]=4 792 B12R1.107 CC(=CC(=O)O)c1ccccc1 TS42432 [0,1,1,0,0,0|1,1,0]=4 793 B12R2.1081 C[n+]1cccc2c1cccc2 TS28781 [1,1,0,0,0,0|1,0,0]=3 794 B12R2.1081 Cc1c2ccccc2ccn1 TS00053 [1,1,0,0,0,0|1,0,0]=3 795 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [1,1,0,0,0,0|0,0,0]=2 796 B12R2.1081 Cc1cccc2c1cncc2 TS06873 [1,1,0,0,0,0|1,0,0]=3 797 B12R2.1081 Cc1cccc2c1nccc2 TS55712 [1,1,0,0,0,0|1,0,0]=3 798 B12R2.1081 Cc1cccc2c1nccn2 TS40181 [1,1,0,0,0,0|2,0,0]=4 799 B12R2.1081 Cc1cccc2c1nncc2 TS40182 [1,1,0,0,0,0|2,0,0]=4 800 B12R2.1081 Cc1ccnc2c1cccc2 TS01522 [1,1,0,0,0,0|1,0,0]=3 801 B12R2.1081 Cc1ccnc2c1cccc2 TS64278 [1,1,0,0,0,0|1,0,0]=3 802 B12R2.1081 Cc1ccnc2c1cccn2 TS40193 [1,1,0,0,0,0|2,0,0]=4 803 B12R2.1081 Cc1cncc2c1cccc2 TS06874 [1,1,0,0,0,0|1,0,0]=3 804 B12R2.1081 c1c[nH]c(=O)c2c1ccnc2 TS89677 [1,1,0,0,0,0|2,0,0]=4 805 B12R2.1081 c1c[nH]c(=O)c2c1cncc2 TS94432 [1,1,0,0,0,0|2,0,0]=4 806 B12R2.1081 c1c[nH]c2cnccc2c1=O TS87091 [1,1,0,0,0,0|2,0,0]=4 807 B12R2.1081 c1cc(c2cccnc2c1)N TS71389 [1,1,0,0,0,0|1,0,0]=3 808 B12R2.1081 c1cc2c(c(c1)Br)nccn2 TS94090 [1,1,0,0,0,0|2,0,0]=4 809 B12R2.1081 c1cc2c(c(c1)Cl)CCC=C2 TS11961 [1,1,0,0,0,0|0,0,2]=4 810 B12R2.1081 c1cc2c(c(c1)F)CCC=C2 TS07449 [1,1,0,0,0,0|0,0,2]=4 811 B12R2.1081 c1cc2c(c(c1)O)CC=CC2 TS07217 [1,1,0,0,0,0|0,0,2]=4 812 B12R2.1081 c1cc2c(c(c1)O)nccn2 TS03345 [1,1,0,0,0,0|2,0,0]=4 813 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 TS85974 [1,1,0,0,0,0|2,0,0]=4 814 B12R2.1081 c1cc2c(cccn2)c(c1)Br TS09819 [1,1,0,0,0,0|1,0,0]=3 815 B12R2.1081 c1cc2c(cccn2)c(c1)Cl TS39771 [1,1,0,0,0,0|1,0,0]=3 816 B12R2.1081 c1cc2c(cccn2)c(c1)F TS07312 [1,1,0,0,0,0|1,0,0]=3 817 B12R2.1081 c1cc2c(cccn2)c(c1)O TS07092 [1,1,0,0,0,0|1,0,0]=3 818 B12R2.1081 c1cc2c(ccnc2Cl)nc1 TS42832 [1,1,0,0,0,0|2,0,0]=4 819 B12R2.1081 c1cc2c(cncn2)c(c1)Br TS89311 [1,1,0,0,0,0|2,0,0]=4 820 B12R2.1081 c1cc2cccnc2c(c1)Br TS01320 [1,1,0,0,0,0|1,0,0]=3 821 B12R2.1081 c1cc2cccnc2c(c1)Cl TS55700 [1,1,0,0,0,0|1,0,0]=3 822 B12R2.1081 c1cc2cccnc2c(c1)F TS33204 [1,1,0,0,0,0|1,0,0]=3 823 B12R2.1081 c1cc2cccnc2c(c1)I TS28721 [1,1,0,0,0,0|1,0,0]=3 824 B12R2.1081 c1cc2cccnc2c(c1)N TS01310 [1,1,0,0,0,0|1,0,0]=3 825 B12R2.1081 c1cc2cccnc2c(c1)O TS27898 [1,1,0,0,0,0|1,0,0]=3 826 B12R2.1081 c1cc2cccnc2c(c1)O TS59629 [1,1,0,0,0,0|1,0,0]=3 827 B12R2.1081 c1cc2cccnc2c(c1)O TS81282 [1,1,0,0,0,0|1,0,0]=3 828 B12R2.1081 c1cc2cccnc2c(c1)O TS82566 [1,1,0,0,0,0|1,0,0]=3 829 B12R2.1081 c1cc2cccnc2c(c1)S TS53924 [1,1,0,0,0,0|1,0,0]=3 830 B12R2.1081 c1cc2cccnc2c(c1)[O-] TS43188 [1,1,0,0,0,0|1,0,0]=3 831 B12R2.1081 c1cc2ccnc(c2nc1)N TS32758 [1,1,0,0,0,0|2,0,0]=4 832 B12R2.1081 c1cc2ccncc2c(c1)Br TS01318 [1,1,0,0,0,0|1,0,0]=3 833 B12R2.1081 c1cc2ccncc2c(c1)Cl TS39366 [1,1,0,0,0,0|1,0,0]=3 834 B12R2.1081 c1cc2ccncc2c(c1)F TS07311 [1,1,0,0,0,0|1,0,0]=3 835 B12R2.1081 c1cc2ccncc2c(c1)N TS01308 [1,1,0,0,0,0|1,0,0]=3 836 B12R2.1081 c1cc2ccncc2c(c1)O TS07090 [1,1,0,0,0,0|1,0,0]=3 837 B12R2.1081 c1cc2cncc(c2nc1)Br TS86045 [1,1,0,0,0,0|2,0,0]=4 838 B12R2.1081 c1cc2cnccc2c(c1)Br TS09807 [1,1,0,0,0,0|1,0,0]=3 839 B12R2.1081 c1cc2cnccc2c(c1)Cl TS71517 [1,1,0,0,0,0|1,0,0]=3 840 B12R2.1081 c1cc2cnccc2c(c1)N TS71376 [1,1,0,0,0,0|1,0,0]=3 841 B12R2.1081 c1cc2cnccc2c(c1)O TS07091 [1,1,0,0,0,0|1,0,0]=3 842 B12R2.1081 c1cc2cncnc2c(c1)Cl TS11948 [1,1,0,0,0,0|2,0,0]=4 843 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [1,1,0,0,0,0|1,0,1]=4 844 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [1,1,0,0,0,0|1,0,0]=3 845 B12R2.1081 c1ccc2c(c1)c(ccn2)Br TS09615 [1,1,0,0,0,0|1,0,0]=3 846 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl TS71079 [1,1,0,0,0,0|1,0,0]=3 847 B12R2.1081 c1ccc2c(c1)c(ccn2)I TS39753 [1,1,0,0,0,0|1,0,0]=3 848 B12R2.1081 c1ccc2c(c1)c(ccn2)N TS70924 [1,1,0,0,0,0|1,0,0]=3 849 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [1,1,0,0,0,0|1,0,0]=3 850 B12R2.1081 c1ccc2c(c1)c(ccn2)S TS71197 [1,1,0,0,0,0|1,0,0]=3 851 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl TS71078 [1,1,0,0,0,0|2,0,0]=4 852 B12R2.1081 c1ccc2c(c1)c(ncn2)N TS40307 [1,1,0,0,0,0|2,0,0]=4 853 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [1,1,0,0,0,0|0,0,0]=2 854 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [1,1,0,0,0,0|0,0,0]=2 855 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [1,1,0,0,0,0|0,0,0]=2 856 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [1,1,0,0,0,0|0,0,0]=2 857 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [1,1,0,0,0,0|0,0,0]=2 858 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [1,1,0,0,0,0|0,0,0]=2 859 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [1,1,0,0,0,0|0,0,0]=2 860 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [1,1,0,0,0,0|0,0,0]=2 861 B12R2.1081 c1ccc2c(c1)ccnc2Br TS00419 [1,1,0,0,0,0|1,0,0]=3 862 B12R2.1081 c1ccc2c(c1)ccnc2Cl TS46936 [1,1,0,0,0,0|1,0,0]=3 863 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O TS59343 [1,1,0,0,0,0|2,0,0]=4 864 B12R2.1081 c1ccc2c(c1)cn[nH]c2=S TS11574 [1,1,0,0,0,0|2,0,0]=4 865 B12R2.1081 c1ccc2c(c1)cncc2Br TS09609 [1,1,0,0,0,0|1,0,0]=3 866 B12R2.1081 c1ccc2c(c1)cncc2F TS07309 [1,1,0,0,0,0|1,0,0]=3 867 B12R2.1081 c1ccc2c(c1)cncc2N TS02995 [1,1,0,0,0,0|1,0,0]=3 868 B12R2.1081 c1ccc2c(c1)cncc2O TS03125 [1,1,0,0,0,0|1,0,0]=3 869 B12R2.1081 c1ccc2c(c1)cnnc2Cl TS11949 [1,1,0,0,0,0|2,0,0]=4 870 B12R2.1081 c1cnc2ccncc2c1N TS40304 [1,1,0,0,0,0|2,0,0]=4 871 B12R2.1081 c1cncc2c1c(ccn2)Cl TS89403 [1,1,0,0,0,0|2,0,0]=4 872 B12R2.1081 c1cncc2c1ccnc2Cl TS90648 [1,1,0,0,0,0|2,0,0]=4 873 B12R2.1081 c1cncc2c1nccc2Cl TS90010 [1,1,0,0,0,0|2,0,0]=4 874 B12R2.1081 c1cncc2c1nccc2O TS07192 [1,1,0,0,0,0|2,0,0]=4 875 B12R2.1 C#Cc1c[nH]c2c1cccc2 TS37492 [0,1,0,0,1,0|2,0,0]=4 876 B12R2.1 CCc1c[nH]c2c1cccc2 TS40329 [0,1,0,0,1,0|2,0,0]=4 877 B12R2.1 CCn1ccc2c1cccc2 TS00434 [0,1,0,0,1,0|2,0,0]=4 878 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N TS01791 [0,1,0,0,1,0|2,0,0]=4 879 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O TS01491 [0,1,0,0,1,0|1,1,0]=4 880 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN TS46493 [0,1,0,0,1,0|2,0,0]=4 881 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS09190 [0,1,0,0,1,0|1,1,0]=4 882 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS42902 [0,1,0,0,1,0|1,1,0]=4 883 B12R2.1 c1ccc2c(c1)c(cs2)C=O TS55754 [0,1,0,0,1,0|1,1,0]=4 884 B12R2.1 c1ccc2c(c1)c(cs2)CN TS11736 [0,1,0,0,1,0|2,0,0]=4 885 B12R2.1 c1ccc2c(c1)c(cs2)CN TS37824 [0,1,0,0,1,0|2,0,0]=4 886 B12R2.1 c1ccc2c(c1)c(cs2)CO TS11910 [0,1,0,0,1,0|1,1,0]=4 887 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,1,0,0,1,0|2,0,0]=4 888 B12R2.18 Cc1c(c2ccccc2s1)Br TS60005 [0,1,0,0,1,0|2,0,0]=4 889 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,1,0,0,1,0|2,0,0]=4 890 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,1,0,0,1,0|2,0,0]=4 891 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,1,0,0,1,0|2,0,0]=4 892 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,1,0,0,1,0|2,0,0]=4 893 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,1,0,0,1,0|2,0,0]=4 894 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,1,0,0,1,0|1,1,0]=4 895 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,1,0,0,1,0|0,1,1]=4 896 B12R2.132 Cc1c[nH]c2c1cc(cc2)Cl TS12106 [0,1,0,0,1,0|2,0,0]=4 897 B12R2.132 Cc1c[nH]c2c1cc(cc2)F TS03313 [0,1,0,0,1,0|2,0,0]=4 898 B12R2.132 Cc1ccc2c(c1)c(cs2)C TS11617 [0,1,0,0,1,0|2,0,0]=4 899 B12R2.132 Cc1csc2c1cc(cc2)Cl TS15076 [0,1,0,0,1,0|2,0,0]=4 900 B12R2.132 Cc1csc2c1cc(cc2)F TS08753 [0,1,0,0,1,0|2,0,0]=4 901 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)Br TS33658 [0,1,0,0,1,0|2,0,0]=4 902 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)N TS02063 [0,1,0,0,1,0|2,0,0]=4 903 B12R2.132 c1cc2c(cc1Br)c(co2)Br TS33752 [0,1,0,0,1,0|2,0,0]=4 904 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Br TS24973 [0,1,0,0,1,0|2,0,0]=4 905 B12R2.196 Cc1cccc2c1[nH]cc2Br TS20830 [0,1,0,0,1,0|2,0,0]=4 906 B12R2.196 Cc1csc2c1cccc2Cl TS85145 [0,1,0,0,1,0|2,0,0]=4 907 B12R2.196 Cn1ccc2c1cccc2N TS40435 [0,1,0,0,1,0|2,0,0]=4 908 B12R2.196 c1cc2c(c[nH]c2c(c1)Cl)Br TS24974 [0,1,0,0,1,0|2,0,0]=4 909 B12R2.196 c1cc2c(c[nH]c2c(c1)N)Cl TS19516 [0,1,0,0,1,0|2,0,0]=4 910 B12R2.612 Cn1ccc2c1ccc(c2)Br TS71397 [0,1,0,0,1,0|2,0,0]=4 911 B12R2.612 Cn1ccc2c1ccc(c2)N TS59908 [0,1,0,0,1,0|2,0,0]=4 912 B12R2.612 c1cc2c(cc1Br)[nH]cc2Br TS33657 [0,1,0,0,1,0|2,0,0]=4 913 B12R2.2028 c1ccc2c(c1)C(=N)NC2=N TS07097 [0,1,0,0,1,0|2,0,0]=4 914 B12R2.2028 c1ccc2c(c1)C(=N)NC2=O TS07194 [0,1,0,0,1,0|1,1,0]=4 915 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O TS07172 [0,1,0,0,1,0|0,1,1]=4 916 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS44977 [0,1,0,0,1,0|1,1,0]=4 917 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS74530 [0,1,0,0,1,0|1,1,0]=4 918 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [0,1,0,0,1,0|1,1,0]=4 919 B12R2.2403 c1ccc2c(c1)C=CS2(=O)=O TS43093 [0,1,0,0,1,0|1,1,0]=4 920 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,1,0,0,1,0|1,0,1]=4 921 B12R2.32 CCc1cc2ccccc2[nH]1 TS55313 [0,1,0,0,1,0|2,0,0]=4 922 B12R2.32 CCc1cc2ccccc2o1 TS07223 [0,1,0,0,1,0|2,0,0]=4 923 B12R2.32 CSc1[nH]c2ccccc2n1 TS42780 [0,1,0,0,1,0|2,0,0]=4 924 B12R2.32 CSc1nc2ccccc2o1 TS42921 [0,1,0,0,1,0|2,0,0]=4 925 B12R2.32 CSc1nc2ccccc2s1 TS48126 [0,1,0,0,1,0|2,0,0]=4 926 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [0,1,0,0,1,0|1,1,0]=4 927 B12R2.32 c1ccc2c(c1)cc([nH]2)CN TS46492 [0,1,0,0,1,0|2,0,0]=4 928 B12R2.32 c1ccc2c(c1)cc(o2)C#N TS00399 [0,1,0,0,1,0|2,0,0]=4 929 B12R2.32 c1ccc2c(c1)cc(o2)C=O TS55751 [0,1,0,0,1,0|1,1,0]=4 930 B12R2.32 c1ccc2c(c1)cc(o2)CO TS07422 [0,1,0,0,1,0|1,1,0]=4 931 B12R2.32 c1ccc2c(c1)cc(s2)C#N TS55752 [0,1,0,0,1,0|2,0,0]=4 932 B12R2.32 c1ccc2c(c1)cc(s2)C=O TS09022 [0,1,0,0,1,0|1,1,0]=4 933 B12R2.32 c1ccc2c(c1)cc(s2)CN TS42619 [0,1,0,0,1,0|2,0,0]=4 934 B12R2.32 c1ccc2c(c1)cc(s2)CO TS11913 [0,1,0,0,1,0|1,1,0]=4 935 B12R2.32 c1ccc2c(c1)cc(s2)C[NH3+] TS37825 [0,1,0,0,1,0|2,0,0]=4 936 B12R2.32 c1ccc2c(c1)nc(s2)S[Na] TS16208 [0,1,0,0,1,0|2,0,0]=4 937 B12R2.202 Cc1cc2c([nH]1)cccc2O TS39281 [0,1,0,0,1,0|2,0,0]=4 938 B12R2.202 c1cc2c(cc(s2)N)c(c1)Br TS92009 [0,1,0,0,1,0|2,0,0]=4 939 B12R2.202 c1cc2cc(sc2c(c1)Br)N TS85914 [0,1,0,0,1,0|2,0,0]=4 940 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br TS20836 [0,1,0,0,1,0|2,0,0]=4 941 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl TS60433 [0,1,0,0,1,0|2,0,0]=4 942 B12R2.606 Cc1cc2cc(ccc2[nH]1)F TS71549 [0,1,0,0,1,0|2,0,0]=4 943 B12R2.606 Cc1cc2cc(ccc2[nH]1)N TS40440 [0,1,0,0,1,0|2,0,0]=4 944 B12R2.606 Cc1cc2cc(ccc2[nH]1)O TS40522 [0,1,0,0,1,0|2,0,0]=4 945 B12R2.606 Cc1cc2cc(ccc2o1)I TS68076 [0,1,0,0,1,0|2,0,0]=4 946 B12R2.606 Cc1cc2cc(ccc2o1)N TS07331 [0,1,0,0,1,0|2,0,0]=4 947 B12R2.606 Cc1cc2ccc(cc2[nH]1)O TS40529 [0,1,0,0,1,0|2,0,0]=4 948 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)S TS94295 [0,1,0,0,1,0|2,0,0]=4 949 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C TS47275 [0,1,0,0,1,0|2,0,0]=4 950 B12R2.606 Cc1ccc2c(c1)cc(s2)Br TS52472 [0,1,0,0,1,0|2,0,0]=4 951 B12R2.606 Cc1ccc2c(c1)cc(s2)C TS11615 [0,1,0,0,1,0|2,0,0]=4 952 B12R2.606 Cc1ccc2c(c1)nc(o2)S TS42919 [0,1,0,0,1,0|2,0,0]=4 953 B12R2.606 Cc1ccc2c(c1)nc(s2)S TS48128 [0,1,0,0,1,0|2,0,0]=4 954 B12R2.606 Cc1ccc2c(c1)sc(n2)S TS48130 [0,1,0,0,1,0|2,0,0]=4 955 B12R2.606 Cc1ccc2cc(sc2c1)C TS77504 [0,1,0,0,1,0|2,0,0]=4 956 B12R2.606 c1cc(cc2c1cc(s2)N)Br TS89765 [0,1,0,0,1,0|2,0,0]=4 957 B12R2.606 c1cc2c(cc1Br)cc(s2)N TS86825 [0,1,0,0,1,0|2,0,0]=4 958 B12R2.606 c1cc2c(cc1Br)nc(o2)S TS24830 [0,1,0,0,1,0|2,0,0]=4 959 B12R2.606 c1cc2c(cc1Br)sc(n2)S TS62257 [0,1,0,0,1,0|2,0,0]=4 960 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)S TS48679 [0,1,0,0,1,0|2,0,0]=4 961 B12R2.606 c1cc2c(cc1Cl)nc(s2)S TS38190 [0,1,0,0,1,0|2,0,0]=4 962 B12R2.606 c1cc2c(cc1Cl)oc(n2)S TS48798 [0,1,0,0,1,0|2,0,0]=4 963 B12R2.606 c1cc2c(cc1Cl)sc(n2)S TS38191 [0,1,0,0,1,0|2,0,0]=4 964 B12R2.606 c1cc2c(cc1F)nc(o2)S TS44993 [0,1,0,0,1,0|2,0,0]=4 965 B12R2.606 c1cc2c(cc1N)[nH]c(n2)S TS12052 [0,1,0,0,1,0|2,0,0]=4 966 B12R2.606 c1cc2c(cc1N)oc(n2)S TS43096 [0,1,0,0,1,0|2,0,0]=4 967 B12R2.606 c1cc2c(cc1N)sc(n2)S TS15027 [0,1,0,0,1,0|2,0,0]=4 968 B12R2.606 c1cc2c(cc1O)[nH]c(n2)S TS43098 [0,1,0,0,1,0|2,0,0]=4 969 B12R2.44 CCc1ccc2c(c1)cc[nH]2 TS03293 [0,1,0,0,1,0|2,0,0]=4 970 B12R2.44 CCc1ccc2cc[nH]c2c1 TS60097 [0,1,0,0,1,0|2,0,0]=4 971 B12R2.44 COc1ccc2c(c1)C=CC2 TS07229 [0,1,0,0,1,0|0,1,1]=4 972 B12R2.44 COc1ccc2c(c1)cc[nH]2 TS40531 [0,1,0,0,1,0|1,1,0]=4 973 B12R2.44 COc1ccc2c(c1)cco2 TS01139 [0,1,0,0,1,0|1,1,0]=4 974 B12R2.44 COc1ccc2cc[nH]c2c1 TS55616 [0,1,0,0,1,0|1,1,0]=4 975 B12R2.44 CSc1ccc2c(c1)cc[nH]2 TS42625 [0,1,0,0,1,0|1,0,0]=3 976 B12R2.44 c1cc(cc2c1cc[nH]2)C#N TS55593 [0,1,0,0,1,0|2,0,0]=4 977 B12R2.44 c1cc(cc2c1cc[nH]2)C=O TS77184 [0,1,0,0,1,0|1,1,0]=4 978 B12R2.44 c1cc(cc2c1cc[nH]2)CN TS40433 [0,1,0,0,1,0|2,0,0]=4 979 B12R2.44 c1cc(cc2c1cc[nH]2)CO TS07327 [0,1,0,0,1,0|1,1,0]=4 980 B12R2.44 c1cc2c(cc[nH]2)cc1C#N TS37569 [0,1,0,0,1,0|2,0,0]=4 981 B12R2.44 c1cc2c(cc[nH]2)cc1C=O TS01495 [0,1,0,0,1,0|1,1,0]=4 982 B12R2.44 c1cc2c(cc[nH]2)cc1CN TS40439 [0,1,0,0,1,0|2,0,0]=4 983 B12R2.44 c1cc2c(cc[nH]2)cc1CO TS01497 [0,1,0,0,1,0|1,1,0]=4 984 B12R2.44 c1cc2c(cco2)cc1C#N TS02003 [0,1,0,0,1,0|2,0,0]=4 985 B12R2.44 c1cc2c(cco2)cc1C=O TS00400 [0,1,0,0,1,0|1,1,0]=4 986 B12R2.44 c1cc2c(cco2)cc1CN TS00401 [0,1,0,0,1,0|2,0,0]=4 987 B12R2.44 c1cc2c(cco2)cc1CO TS07418 [0,1,0,0,1,0|1,1,0]=4 988 B12R2.44 c1cc2c(ccs2)cc1C#N TS08748 [0,1,0,0,1,0|2,0,0]=4 989 B12R2.44 c1cc2c(ccs2)cc1C=O TS42474 [0,1,0,0,1,0|1,1,0]=4 990 B12R2.44 c1cc2c(ccs2)cc1CN TS42626 [0,1,0,0,1,0|2,0,0]=4 991 B12R2.44 c1cc2c(ccs2)cc1CO TS11912 [0,1,0,0,1,0|1,1,0]=4 992 B12R2.82 Cc1c2cc[nH]c2ccc1N TS40434 [0,1,0,0,1,0|2,0,0]=4 993 B12R2.82 c1cc(c(c2c1[nH]cc2)F)Cl TS45046 [0,1,0,0,1,0|2,0,0]=4 994 B12R2.82 c1cc(c(c2c1[nH]cc2)F)F TS39456 [0,1,0,0,1,0|2,0,0]=4 995 B12R2.82 c1cc(c(c2c1[nH]cc2)F)O TS40984 [0,1,0,0,1,0|1,1,0]=4 996 B12R2.82 c1cc(c(c2c1cc[nH]2)Cl)Cl TS85799 [0,1,0,0,1,0|2,0,0]=4 997 B12R2.82 c1cc(c(c2c1cco2)O)O TS07647 [0,1,0,0,1,0|1,1,0]=4 998 B12R2.100 c1c[nH]c2c1cc(c(c2)Br)F TS87437 [0,1,0,0,1,0|2,0,0]=4 999 B12R2.100 c1c[nH]c2c1cc(c(c2)Br)O TS90128 [0,1,0,0,1,0|1,1,0]=4 1000 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)Cl TS88784 [0,1,0,0,1,0|2,0,0]=4 1001 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)F TS08427 [0,1,0,0,1,0|2,0,0]=4 1002 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)O TS88336 [0,1,0,0,1,0|1,1,0]=4 1003 B12R2.100 c1c[nH]c2c1cc(c(c2)F)Br TS87471 [0,1,0,0,1,0|2,0,0]=4 1004 B12R2.100 c1c[nH]c2c1cc(c(c2)F)Cl TS45048 [0,1,0,0,1,0|2,0,0]=4 1005 B12R2.100 c1c[nH]c2c1cc(c(c2)F)F TS71338 [0,1,0,0,1,0|2,0,0]=4 1006 B12R2.100 c1c[nH]c2c1cc(c(c2)F)O TS40979 [0,1,0,0,1,0|1,1,0]=4 1007 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O TS71344 [0,1,0,0,1,0|1,1,0]=4 1008 B12R2.246 Cc1cc(c2c(c1)CC=C2)C TS06995 [0,1,0,0,1,0|1,0,1]=4 1009 B12R2.246 Cc1cc(c2cc[nH]c2c1)C TS07120 [0,1,0,0,1,0|2,0,0]=4 1010 B12R2.246 Cc1cc(cc2c1cc[nH]2)N TS40449 [0,1,0,0,1,0|2,0,0]=4 1011 B12R2.246 Cc1cc2c(cc[nH]2)c(c1)O TS07345 [0,1,0,0,1,0|2,0,0]=4 1012 B12R2.246 c1c(cc(c2c1C=CC2)F)F TS41101 [0,1,0,0,1,0|1,0,1]=4 1013 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)Cl TS48826 [0,1,0,0,1,0|2,0,0]=4 1014 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)N TS12323 [0,1,0,0,1,0|2,0,0]=4 1015 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F TS59705 [0,1,0,0,1,0|2,0,0]=4 1016 B12R2.246 c1c[nH]c2c1cc(cc2Cl)Cl TS48824 [0,1,0,0,1,0|2,0,0]=4 1017 B12R2.246 c1c[nH]c2c1cc(cc2F)Br TS85572 [0,1,0,0,1,0|2,0,0]=4 1018 B12R2.246 c1c[nH]c2c1cc(cc2F)F TS39519 [0,1,0,0,1,0|2,0,0]=4 1019 B12R2.246 c1c[nH]c2c1cc(cc2F)N TS87834 [0,1,0,0,1,0|2,0,0]=4 1020 B12R2.246 c1coc2c1cc(cc2O)F TS41091 [0,1,0,0,1,0|2,0,0]=4 1021 B14R2.741 c1ccc2c(c1)ccc(c(=O)n2)I TS34501 [0,1,0,0,0,1|1,0,0]=3 1022 B14R2.92 COc1ccc2ccccc2c1Br TS56903 [0,2,0,0,0,0|0,1,0]=3 1023 B14R2.92 COc1ccc2ccccc2c1I TS34700 [0,2,0,0,0,0|0,1,0]=3 1024 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C#N TS12977 [0,2,0,0,0,0|2,0,0]=4 1025 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O TS45734 [0,2,0,0,0,0|1,1,0]=4 1026 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)Cl TS50829 [0,2,0,0,0,0|2,0,0]=4 1027 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)O TS45108 [0,2,0,0,0,0|2,0,0]=4 1028 B14R2.92 c1ccc2c(c1)c(c(cn2)C=O)O TS13310 [0,2,0,0,0,0|1,1,0]=4 1029 B14R2.92 c1ccc2c(c1)ccc(c2Br)C=O TS56610 [0,2,0,0,0,0|0,1,0]=3 1030 B14R2.92 c1ccc2c(c1)ccc(c2Br)CBr TS74570 [0,2,0,0,0,0|1,0,0]=3 1031 B14R2.92 c1ccc2c(c1)ccc(c2Cl)C=O TS17196 [0,2,0,0,0,0|0,1,0]=3 1032 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O TS13140 [0,2,0,0,0,0|0,1,0]=3 1033 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O TS13311 [0,2,0,0,0,0|0,1,0]=3 1034 B14R2.203 CC[n+]1c(ccc2c1cccc2)C TS58881 [0,2,0,0,0,0|2,0,0]=4 1035 B14R2.203 Cc1ccc2ccccc2c1CCl TS51212 [0,2,0,0,0,0|1,0,0]=3 1036 B14R2.203 c1cc2c(ccc(c2C#N)N)nc1 TS12676 [0,2,0,0,0,0|2,0,0]=4 1037 B14R2.203 c1ccc2c(c1)ccc(c2N=O)O TS13314 [0,2,0,0,0,0|0,1,0]=3 1038 B14R2.4513 Cc1ccc2c(c1)c(=O)c(co2)Br TS57193 [0,2,0,0,0,0|2,0,0]=4 1039 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O TS14149 [0,2,0,0,0,0|1,1,0]=4 1040 B14R2.4513 c1cc(cc2c1ccc(c2F)F)O TS01290 [0,2,0,0,0,0|0,1,0]=3 1041 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Br)Br TS66635 [0,2,0,0,0,0|2,0,0]=4 1042 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Br)Cl TS61667 [0,2,0,0,0,0|2,0,0]=4 1043 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Br)O TS74826 [0,2,0,0,0,0|2,0,0]=4 1044 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Cl)Br TS77306 [0,2,0,0,0,0|2,0,0]=4 1045 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Cl)Cl TS31191 [0,2,0,0,0,0|2,0,0]=4 1046 B14R2.4513 c1cc2c(cc1Br)c(c(cn2)Cl)O TS29267 [0,2,0,0,0,0|2,0,0]=4 1047 B14R2.4513 c1cc2c(cc1Cl)c(c(cn2)Cl)O TS21607 [0,2,0,0,0,0|2,0,0]=4 1048 B14R2.7724 *c1cc(c(c2c1cccn2)O)Cl TS14306 [0,2,0,0,0,0|2,0,0]=4 1049 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O TS45447 [0,2,0,0,0,0|1,0,0]=3 1050 B14R2.7724 Cc1cc(c(c2c1cccn2)O)C TS03205 [0,2,0,0,0,0|2,0,0]=4 1051 B14R2.7724 Cc1cc(c2ccccc2c1C)C TS12869 [0,2,0,0,0,0|1,0,0]=3 1052 B14R2.7724 Cc1cc(c2ccccc2c1O)N TS20821 [0,2,0,0,0,0|1,0,0]=3 1053 B14R2.7724 Cc1cc(c2ccccc2c1O)O TS13489 [0,2,0,0,0,0|1,0,0]=3 1054 B14R2.7724 Cn1c2ccccc2c(cc1=O)Cl TS51718 [0,2,0,0,0,0|1,1,0]=4 1055 B14R2.7724 Cn1c2ccccc2c(cc1=O)O TS13667 [0,2,0,0,0,0|1,1,0]=4 1056 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Br)Br TS74825 [0,2,0,0,0,0|2,0,0]=4 1057 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Br)Cl TS29265 [0,2,0,0,0,0|2,0,0]=4 1058 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Cl)Cl TS44436 [0,2,0,0,0,0|2,0,0]=4 1059 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)Cl TS75847 [0,2,0,0,0,0|2,0,0]=4 1060 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)I TS80932 [0,2,0,0,0,0|2,0,0]=4 1061 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)Cl TS17578 [0,2,0,0,0,0|0,1,0]=3 1062 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)N TS13315 [0,2,0,0,0,0|0,1,0]=3 1063 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)Cl TS17579 [0,2,0,0,0,0|1,0,0]=3 1064 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O TS45731 [0,2,0,0,0,0|0,1,0]=3 1065 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Br)Br TS74738 [0,2,0,0,0,0|1,0,0]=3 1066 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)Cl TS21436 [0,2,0,0,0,0|1,0,0]=3 1067 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)O TS17965 [0,2,0,0,0,0|1,0,0]=3 1068 B14R2.8038 Cc1c(ccc2c1nccc2O)Cl TS51705 [0,2,0,0,0,0|2,0,0]=4 1069 B14R2.8038 Cc1ccc2c(ccnc2c1C)Cl TS51380 [0,2,0,0,0,0|2,0,0]=4 1070 B14R2.8038 Cc1ccc2c(ccnc2c1C)O TS13349 [0,2,0,0,0,0|2,0,0]=4 1071 B14R2.8038 Cc1cccc2c1ccc(c2C)C TS45180 [0,2,0,0,0,0|1,0,0]=3 1072 B14R2.8038 c1cc(c(c2c1c(ccn2)O)Cl)Cl TS44440 [0,2,0,0,0,0|2,0,0]=4 1073 B14R2.8038 c1cc2c(c(c1)Cl)ncc(c2O)Cl TS44441 [0,2,0,0,0,0|2,0,0]=4 1074 B14R2.8188 Cc1c(c(c2ccccc2n1)N)Br TS56911 [0,2,0,0,0,0|2,0,0]=4 1075 B14R2.8188 Cc1c(c2ccccc2nc1Cl)Cl TS44116 [0,2,0,0,0,0|2,0,0]=4 1076 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [0,2,0,0,0,0|1,0,0]=3 1077 B14R2.8188 Cn1c(=O)c2ccccc2nc1S TS17502 [0,2,0,0,0,0|2,0,0]=4 1078 B14R2.8188 c1cc2c(cc(c(c2F)Br)F)nc1 TS61947 [0,2,0,0,0,0|2,0,0]=4 1079 B14R2.8188 c1ccc2c(c1)c(=O)n(c(n2)S)N TS17662 [0,2,0,0,0,0|2,0,0]=4 1080 B14R2.8188 c1ccc2c(c1)c(c(c(=O)[nH]2)Cl)O TS18125 [0,2,0,0,0,0|1,1,0]=4 1081 B14R2.28523 c1cc2c(c(c1)Cl)c(c(cn2)Cl)O TS21611 [0,2,0,0,0,0|2,0,0]=4 1082 B14R2.28523 c1cc2ccc(c(c2c(c1)N)N)Cl TS51570 [0,2,0,0,0,0|1,0,0]=3 1083 B14R2.29369 Cc1ccc2c(c(ccc2c1)C)C TS12878 [0,2,0,0,0,0|1,0,0]=3 1084 B14R2.29369 c1cc(=O)oc2c1c(c(cc2)N)I TS54987 [0,2,0,0,0,0|1,1,0]=4 1085 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Br)O TS74739 [0,2,0,0,0,0|0,1,0]=3 1086 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Cl)O TS29106 [0,2,0,0,0,0|0,1,0]=3 1087 B14R2.29369 c1cc(c(c2c1cc(cc2)O)F)F TS47839 [0,2,0,0,0,0|0,1,0]=3 1088 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Br)Br TS77305 [0,2,0,0,0,0|2,0,0]=4 1089 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Cl)Br TS31192 [0,2,0,0,0,0|2,0,0]=4 1090 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Cl)I TS77463 [0,2,0,0,0,0|2,0,0]=4 1091 B14R2.29369 c1cc2c(cc1Cl)ncc(c2O)Br TS29266 [0,2,0,0,0,0|2,0,0]=4 1092 B14R2.29369 c1cc2c(cc1Cl)ncc(c2O)I TS75848 [0,2,0,0,0,0|2,0,0]=4 1093 B14R2.112 CCC[n+]1ccc2ccccc2c1 TS28297 [0,2,0,0,0,0|2,0,0]=4 1094 B14R2.112 CCCc1ccc2ccccc2c1 TS12865 [0,2,0,0,0,0|1,0,0]=3 1095 B14R2.112 CCOc1ccc2ccccc2c1 TS45484 [0,2,0,0,0,0|0,1,0]=3 1096 B14R2.112 CNCc1ccc2c(c1)cccn2 TS13206 [0,2,0,0,0,0|2,0,0]=4 1097 B14R2.112 c1ccc2c(c1)ccc(n2)CCO TS45643 [0,2,0,0,0,0|1,1,0]=4 1098 B14R2.112 c1ccc2cc(ccc2c1)C=NO TS13008 [0,2,0,0,0,0|0,1,0]=3 1099 B14R2.112 c1ccc2cc(ccc2c1)CC#N TS43255 [0,2,0,0,0,0|1,0,0]=3 1100 B14R2.112 c1ccc2cc(ccc2c1)CCN TS13037 [0,2,0,0,0,0|1,0,0]=3 1101 B14R2.112 c1ccc2cc(ccc2c1)CCO TS45488 [0,2,0,0,0,0|0,1,0]=3 1102 B14R2.112 c1ccc2cc(ccc2c1)N=C=O TS45002 [0,2,0,0,0,0|0,1,0]=3 1103 B14R2.134 COc1ccc2c(c1)cc(cn2)N TS60328 [0,2,0,0,0,0|1,1,0]=4 1104 B14R2.134 COc1ccc2ccc(=O)oc2c1 TS46067 [0,2,0,0,0,0|1,1,0]=4 1105 B14R2.134 COc1ccc2ccc(cc2c1)O TS13485 [0,2,0,0,0,0|0,1,0]=3 1106 B14R2.142 COc1ccc2c(c1)c(ccn2)Br TS70984 [0,2,0,0,0,0|1,1,0]=4 1107 B14R2.142 COc1ccc2c(c1)c(ccn2)Cl TS16637 [0,2,0,0,0,0|1,1,0]=4 1108 B14R2.142 COc1ccc2c(c1)c(ccn2)I TS34803 [0,2,0,0,0,0|1,1,0]=4 1109 B14R2.142 COc1ccc2c(c1)c(ccn2)N TS55622 [0,2,0,0,0,0|1,1,0]=4 1110 B14R2.142 COc1ccc2c(c1)c(ccn2)O TS01261 [0,2,0,0,0,0|1,1,0]=4 1111 B14R2.142 COc1ccc2cc[nH]c(=O)c2c1 TS13663 [0,2,0,0,0,0|1,1,0]=4 1112 B14R2.142 Cc1ccnc2c1cc(cc2)OC TS03168 [0,2,0,0,0,0|1,1,0]=4 1113 B14R2.142 c1cc(cc2c1cc[nH]c2=O)C=O TS13304 [0,2,0,0,0,0|1,1,0]=4 1114 B14R2.142 c1cc(cc2c1ccnc2Cl)C=O TS17379 [0,2,0,0,0,0|1,1,0]=4 1115 B14R2.142 c1cc2c(cc1C#N)c(ccn2)Cl TS50832 [0,2,0,0,0,0|2,0,0]=4 1116 B14R2.142 c1cc2c(cc1C#N)c(ccn2)O TS45105 [0,2,0,0,0,0|2,0,0]=4 1117 B14R2.142 c1cc2ccc(nc2c(c1)O)C#N TS12795 [0,2,0,0,0,0|2,0,0]=4 1118 B14R2.142 c1cc2ccc(nc2c(c1)O)C=O TS01867 [0,2,0,0,0,0|1,1,0]=4 1119 B14R2.781 B(c1cc2ccccc2nc1)(O)O TS88445 [0,2,0,0,0,0|1,1,0]=4 1120 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O TS59382 [0,2,0,0,0,0|1,1,0]=4 1121 B14R2.781 B(c1ccc2ccccc2c1)(O)O TS65614 [0,2,0,0,0,0|0,1,0]=3 1122 B14R2.781 B(c1ccc2ccccc2n1)(O)O TS08832 [0,2,0,0,0,0|1,1,0]=4 1123 B14R2.781 B(c1ccc2ccncc2c1)(O)O TS86997 [0,2,0,0,0,0|1,1,0]=4 1124 B14R2.781 B(c1ccc2cnccc2c1)(O)O TS88593 [0,2,0,0,0,0|1,1,0]=4 1125 B14R2.781 CC(=O)c1cc2ccccc2cn1 TS12999 [0,2,0,0,0,0|1,1,0]=4 1126 B14R2.781 CC(=O)c1ccc2c(c1)cccn2 TS45301 [0,2,0,0,0,0|1,1,0]=4 1127 B14R2.781 CC(=O)c1ccc2ccccc2c1 TS12814 [0,2,0,0,0,0|0,1,0]=3 1128 B14R2.781 CC(C)c1ccc2c(c1)cccn2 TS13044 [0,2,0,0,0,0|2,0,0]=4 1129 B14R2.781 CC(C)c1ccc2ccccc2c1 TS12871 [0,2,0,0,0,0|1,0,0]=3 1130 B14R2.781 CC(c1ccc2ccccc2c1)N TS45350 [0,2,0,0,0,0|1,0,0]=3 1131 B14R2.781 CC(c1ccc2ccccc2c1)O TS45482 [0,2,0,0,0,0|0,1,0]=3 1132 B14R2.781 CN(C)c1ccc2ccccc2c1 TS13043 [0,2,0,0,0,0|1,0,0]=3 1133 B14R2.781 C[C@@H](c1ccc2ccccc2c1)N TS45349 [0,2,0,0,0,0|1,0,0]=3 1134 B14R2.781 C[C@@H](c1ccc2ccccc2c1)O TS45494 [0,2,0,0,0,0|0,1,0]=3 1135 B14R2.781 C[C@H](c1ccc2ccccc2c1)N TS13034 [0,2,0,0,0,0|1,0,0]=3 1136 B14R2.781 c1cc2cc(ccc2nc1)[N+](=O)[O-] TS55633 [0,2,0,0,0,0|1,1,0]=4 1137 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O TS01306 [0,2,0,0,0,0|1,1,0]=4 1138 B14R2.781 c1cc2ccc(cc2nc1)[N+](=O)[O-] TS01304 [0,2,0,0,0,0|1,1,0]=4 1139 B14R2.781 c1cc2cnccc2cc1C(=O)O TS90859 [0,2,0,0,0,0|1,1,0]=4 1140 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O TS13307 [0,2,0,0,0,0|1,1,0]=4 1141 B14R2.781 c1ccc2c(c1)cc(cn2)[N+](=O)[O-] TS45743 [0,2,0,0,0,0|1,1,0]=4 1142 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O TS13306 [0,2,0,0,0,0|1,1,0]=4 1143 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)[O-] TS18008 [0,2,0,0,0,0|1,1,0]=4 1144 B14R2.781 c1ccc2cc(ccc2c1)C(=O)Cl TS65615 [0,2,0,0,0,0|0,1,0]=3 1145 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N TS45309 [0,2,0,0,0,0|0,1,0]=3 1146 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O TS45446 [0,2,0,0,0,0|0,1,0]=3 1147 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] TS51763 [0,2,0,0,0,0|0,1,0]=3 1148 B14R2.781 c1ccc2cc(ccc2c1)[N+](=O)[O-] TS13303 [0,2,0,0,0,0|0,1,0]=3 1149 B14R2.1019 CCc1cc(=O)c2ccccc2o1 TS13499 [0,2,0,0,0,0|2,0,0]=4 1150 B14R2.1019 COc1cc2cccnc2c(c1)N TS55623 [0,2,0,0,0,0|1,1,0]=4 1151 B14R2.1019 CSc1[nH]c(=O)c2ccccc2n1 TS17500 [0,2,0,0,0,0|2,0,0]=4 1152 B14R2.1019 CSc1nc2ccccc2c(n1)N TS17327 [0,2,0,0,0,0|2,0,0]=4 1153 B14R2.1019 Cc1cc(nc2c1cccc2)NN TS45656 [0,2,0,0,0,0|2,0,0]=4 1154 B14R2.1128 CCc1cc2ccccc2nc1Cl TS17387 [0,2,0,0,0,0|2,0,0]=4 1155 B14R2.1128 CCc1cc2ccccc2nc1O TS45632 [0,2,0,0,0,0|1,1,0]=4 1156 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N TS12794 [0,2,0,0,0,0|1,1,0]=4 1157 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O TS09408 [0,2,0,0,0,0|1,1,0]=4 1158 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CO TS45929 [0,2,0,0,0,0|1,1,0]=4 1159 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N TS12976 [0,2,0,0,0,0|1,1,0]=4 1160 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O TS17377 [0,2,0,0,0,0|1,1,0]=4 1161 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl TS44112 [0,2,0,0,0,0|2,0,0]=4 1162 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CO TS51709 [0,2,0,0,0,0|1,1,0]=4 1163 B14R2.1128 c1ccc2c(c1)cc(c(n2)N)C#N TS12681 [0,2,0,0,0,0|2,0,0]=4 1164 B14R2.1801 COc1ccc2c(c1)cc[nH]c2=O TS13672 [0,2,0,0,0,0|1,1,0]=4 1165 B14R2.1801 COc1ccc2c(c1)cccc2Br TS56904 [0,2,0,0,0,0|0,1,0]=3 1166 B14R2.1801 COc1ccc2c(c1)cccc2O TS01252 [0,2,0,0,0,0|0,1,0]=3 1167 B14R2.1801 COc1ccc2c(c1)cccn2=O TS13666 [0,2,0,0,0,0|1,1,0]=4 1168 B14R2.1801 COc1ccc2c(c1)ccnc2Cl TS46934 [0,2,0,0,0,0|1,1,0]=4 1169 B14R2.1801 COc1ccc2c(ccnc2c1)Br TS26137 [0,2,0,0,0,0|1,1,0]=4 1170 B14R2.1801 COc1ccc2c(ccnc2c1)Cl TS71054 [0,2,0,0,0,0|1,1,0]=4 1171 B14R2.1801 COc1ccc2c(ccnc2c1)N TS60372 [0,2,0,0,0,0|1,1,0]=4 1172 B14R2.1801 COc1ccc2c(ccnc2c1)O TS71165 [0,2,0,0,0,0|1,1,0]=4 1173 B14R2.1801 c1cc2c(ccnc2cc1C#N)Cl TS50831 [0,2,0,0,0,0|2,0,0]=4 1174 B14R2.1801 c1cc2c(ccnc2cc1C#N)O TS12792 [0,2,0,0,0,0|2,0,0]=4 1175 B14R2.1801 c1cc2cc(ccc2c(c1)Br)C=O TS56609 [0,2,0,0,0,0|0,1,0]=3 1176 B14R2.2332 CCc1ccc2cc(ccc2c1)O TS55594 [0,2,0,0,0,0|0,1,0]=3 1177 B14R2.2332 COc1ccc2c(c1)ccc(=O)[nH]2 TS13676 [0,2,0,0,0,0|1,1,0]=4 1178 B14R2.2332 COc1ccc2c(c1)ccc(=O)o2 TS46059 [0,2,0,0,0,0|1,1,0]=4 1179 B14R2.2332 COc1ccc2c(c1)ccc(n2)Br TS26135 [0,2,0,0,0,0|1,1,0]=4 1180 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl TS55271 [0,2,0,0,0,0|1,1,0]=4 1181 B14R2.2332 COc1ccc2c(c1)ccc(n2)N TS13512 [0,2,0,0,0,0|1,1,0]=4 1182 B14R2.2332 COc1ccc2cc(ccc2c1)Br TS65035 [0,2,0,0,0,0|0,1,0]=3 1183 B14R2.2332 COc1ccc2cc(ccc2c1)O TS13498 [0,2,0,0,0,0|0,1,0]=3 1184 B14R2.2332 Cc1ccc2cc(ccc2n1)C=O TS13000 [0,2,0,0,0,0|1,1,0]=4 1185 B14R2.2332 Cc1ccc2cc(ccc2n1)CO TS13354 [0,2,0,0,0,0|1,1,0]=4 1186 B14R2.2332 Cc1ccc2cc(ccc2n1)OC TS13355 [0,2,0,0,0,0|1,1,0]=4 1187 B14R2.2332 c1cc(=O)oc2c1cc(cc2)N=O TS45916 [0,2,0,0,0,0|1,1,0]=4 1188 B14R2.2332 c1cc(nc2c1cc(cc2)Br)C#N TS53428 [0,2,0,0,0,0|2,0,0]=4 1189 B14R2.2332 c1cc2cc(ccc2cc1C#N)O TS55592 [0,2,0,0,0,0|0,1,0]=3 1190 B14R2.2332 c1cc2cc(ccc2cc1C=O)O TS13139 [0,2,0,0,0,0|0,1,0]=3 1191 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br TS28977 [0,2,0,0,0,0|2,0,0]=4 1192 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl TS44111 [0,2,0,0,0,0|2,0,0]=4 1193 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br TS56913 [0,2,0,0,0,0|2,0,0]=4 1194 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C TS51381 [0,2,0,0,0,0|2,0,0]=4 1195 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C TS13192 [0,2,0,0,0,0|2,0,0]=4 1196 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O TS14150 [0,2,0,0,0,0|1,1,0]=4 1197 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)N TS16306 [0,2,0,0,0,0|1,1,0]=4 1198 B14R2.29365 Cc1cc(=O)c2ccc(cc2[nH]1)Cl TS51717 [0,2,0,0,0,0|2,0,0]=4 1199 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS33490 [0,2,0,0,0,0|1,1,0]=4 1200 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS64846 [0,2,0,0,0,0|1,1,0]=4 1201 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O TS46066 [0,2,0,0,0,0|1,1,0]=4 1202 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)S TS17489 [0,2,0,0,0,0|1,0,0]=3 1203 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)[O-] TS18575 [0,2,0,0,0,0|1,1,0]=4 1204 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)Cl TS28979 [0,2,0,0,0,0|2,0,0]=4 1205 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)O TS26132 [0,2,0,0,0,0|2,0,0]=4 1206 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)Cl TS44117 [0,2,0,0,0,0|2,0,0]=4 1207 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)Cl TS18138 [0,2,0,0,0,0|2,0,0]=4 1208 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O TS14004 [0,2,0,0,0,0|2,0,0]=4 1209 B14R2.29365 Cc1cc(nc2c1ccc(c2)Cl)C TS17382 [0,2,0,0,0,0|2,0,0]=4 1210 B14R2.29365 Cc1cc(nc2c1ccc(c2)F)C TS13695 [0,2,0,0,0,0|2,0,0]=4 1211 B14R2.29365 Cc1ccc2c(cc(=O)oc2c1)C TS13500 [0,2,0,0,0,0|1,1,0]=4 1212 B14R2.29365 Cc1ccc2c(cc(nc2c1)C)C TS45346 [0,2,0,0,0,0|2,0,0]=4 1213 B14R2.29365 c1c2cc(cnc2c(cc1F)N)Br TS26631 [0,2,0,0,0,0|2,0,0]=4 1214 B14R2.29365 c1cc(=O)oc2c1c(cc(c2)O)O TS22854 [0,2,0,0,0,0|1,1,0]=4 1215 B14R2.29365 c1cc2c(cc(=O)oc2cc1O)O TS47476 [0,2,0,0,0,0|1,1,0]=4 1216 B14R2.29365 c1cc2c(cc1Br)cc(nc2Cl)Cl TS31193 [0,2,0,0,0,0|2,0,0]=4 1217 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)Cl)C TS17386 [0,2,0,0,0,0|2,0,0]=4 1218 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)O)C TS13357 [0,2,0,0,0,0|2,0,0]=4 1219 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)Cl TS28975 [0,2,0,0,0,0|2,0,0]=4 1220 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)O TS26131 [0,2,0,0,0,0|2,0,0]=4 1221 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)Cl TS44114 [0,2,0,0,0,0|2,0,0]=4 1222 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O TS51713 [0,2,0,0,0,0|2,0,0]=4 1223 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl TS18140 [0,2,0,0,0,0|2,0,0]=4 1224 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O TS14006 [0,2,0,0,0,0|2,0,0]=4 1225 B14R2.8045 Cc1cc(c2cccc(c2n1)O)Cl TS09009 [0,2,0,0,0,0|2,0,0]=4 1226 B14R2.8045 Cc1cc(cc2c1nccc2Br)Cl TS28978 [0,2,0,0,0,0|2,0,0]=4 1227 B14R2.8045 Cc1cc(cc2c1nccc2O)Cl TS51710 [0,2,0,0,0,0|2,0,0]=4 1228 B14R2.8045 Cc1cc(nc2c1cccc2O)C TS00642 [0,2,0,0,0,0|2,0,0]=4 1229 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)O TS51720 [0,2,0,0,0,0|2,0,0]=4 1230 B14R2.8045 Cc1cccc2c1nc(cc2Br)C TS25841 [0,2,0,0,0,0|2,0,0]=4 1231 B14R2.8045 Cc1cccc2c1nc(cc2C)C TS45345 [0,2,0,0,0,0|2,0,0]=4 1232 B14R2.8045 Cc1cccc2c1nc(cc2C)Cl TS17381 [0,2,0,0,0,0|2,0,0]=4 1233 B14R2.8045 Cc1cccc2c1nc(cc2C)O TS45644 [0,2,0,0,0,0|1,1,0]=4 1234 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C TS17384 [0,2,0,0,0,0|2,0,0]=4 1235 B14R2.8045 Cc1cccc2c1nc(cc2O)C TS45628 [0,2,0,0,0,0|2,0,0]=4 1236 B14R2.8045 Cc1ccnc2c1cc(cc2C)C TS13045 [0,2,0,0,0,0|2,0,0]=4 1237 B14R2.8045 c1cnc2c(c1Cl)cc(cc2Cl)Cl TS25282 [0,2,0,0,0,0|2,0,0]=4 1238 B14R2.8045 c1cnc2c(c1Cl)cc(cc2F)F TS18877 [0,2,0,0,0,0|2,0,0]=4 1239 B14R2.8045 c1cnc2c(c1N)cc(cc2Cl)Cl TS21441 [0,2,0,0,0,0|2,0,0]=4 1240 B14R2.8045 c1cnc2c(c1O)cc(cc2Cl)Cl TS21606 [0,2,0,0,0,0|2,0,0]=4 1241 B14R2.8045 c1cnc2c(c1O)cc(cc2F)F TS14728 [0,2,0,0,0,0|2,0,0]=4 1242 B14R2.8045 c1coc2c(c1=O)cc(cc2Cl)Cl TS21815 [0,2,0,0,0,0|2,0,0]=4 1243 B14R2.8235 Cc1cc(=O)c2cc(ccc2o1)Br TS57194 [0,2,0,0,0,0|2,0,0]=4 1244 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)N TS45936 [0,2,0,0,0,0|1,1,0]=4 1245 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)O TS46055 [0,2,0,0,0,0|1,1,0]=4 1246 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)Cl TS28976 [0,2,0,0,0,0|2,0,0]=4 1247 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)N TS56907 [0,2,0,0,0,0|2,0,0]=4 1248 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O TS26140 [0,2,0,0,0,0|2,0,0]=4 1249 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)Cl TS44113 [0,2,0,0,0,0|2,0,0]=4 1250 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)O TS51706 [0,2,0,0,0,0|2,0,0]=4 1251 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl TS18139 [0,2,0,0,0,0|2,0,0]=4 1252 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O TS14005 [0,2,0,0,0,0|2,0,0]=4 1253 B14R2.8235 Cc1ccc2c(c1)c(=O)cc(o2)C TS13487 [0,2,0,0,0,0|2,0,0]=4 1254 B14R2.8235 Cc1ccc2c(c1)c(cc(=O)o2)O TS39751 [0,2,0,0,0,0|1,1,0]=4 1255 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)C TS13046 [0,2,0,0,0,0|2,0,0]=4 1256 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)Cl TS51384 [0,2,0,0,0,0|2,0,0]=4 1257 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O TS47321 [0,2,0,0,0,0|2,0,0]=4 1258 B14R2.8235 Cc1ccc2cc(cc(c2c1)C)C TS12877 [0,2,0,0,0,0|1,0,0]=3 1259 B14R2.8235 c1cc(cc2c1cc(nc2Cl)Cl)Br TS91668 [0,2,0,0,0,0|2,0,0]=4 1260 B14R2.8235 c1cc2c(cc1Br)c(cc(=O)o2)O TS57491 [0,2,0,0,0,0|1,1,0]=4 1261 B14R2.8235 c1cc2c(cc1Cl)c(cc(=O)o2)N TS52086 [0,2,0,0,0,0|1,1,0]=4 1262 B14R2.8235 c1cc2c(cc1Cl)c(cc(=O)o2)O TS18359 [0,2,0,0,0,0|1,1,0]=4 1263 B14R2.8235 c1cc2c(cc1F)c(cc(n2)Cl)Cl TS47206 [0,2,0,0,0,0|2,0,0]=4 1264 B14R2.8751 Cc1ccc2c(ccc(c2c1)C)C TS45188 [0,2,0,0,0,0|1,0,0]=3 1265 B14R2.11684 COc1cccc2c1nc(cc2)Cl TS51708 [0,2,0,0,0,0|2,0,0]=4 1266 B14R2.11684 COc1cccc2c1oc(=O)cc2 TS46060 [0,2,0,0,0,0|1,1,0]=4 1267 B14R2.11684 COc1ccnc2c1cc(cc2)Br TS26136 [0,2,0,0,0,0|2,0,0]=4 1268 B14R2.11684 Cc1ccc2c(c1)c(ccn2)OC TS45630 [0,2,0,0,0,0|2,0,0]=4 1269 B14R2.11684 Cc1ccc2cccc(c2n1)OC TS13360 [0,2,0,0,0,0|2,0,0]=4 1270 B14R2.11684 c1cc2c(cc1F)c(ccn2)NN TS14010 [0,2,0,0,0,0|2,0,0]=4 1271 B14R2.11684 c1cc2ccc(cc2c(c1)C#N)O TS55680 [0,2,0,0,0,0|0,1,0]=3 1272 B14R2.28472 Cc1cc2c(cc1Cl)c(=O)cco2 TS17969 [0,2,0,0,0,0|2,0,0]=4 1273 B14R2.28472 Cc1cc2c(ccnc2cc1C)O TS13361 [0,2,0,0,0,0|2,0,0]=4 1274 B14R2.28472 Cc1cccc2c1cc(c(c2)C)C TS45179 [0,2,0,0,0,0|1,0,0]=3 1275 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl TS51382 [0,2,0,0,0,0|2,0,0]=4 1276 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N TS13199 [0,2,0,0,0,0|2,0,0]=4 1277 B14R2.28472 c1cnc2cc(c(cc2c1Cl)Cl)Cl TS71051 [0,2,0,0,0,0|2,0,0]=4 1278 B14R2.28472 c1cnc2cc(c(cc2c1Cl)F)F TS18878 [0,2,0,0,0,0|2,0,0]=4 1279 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl TS21609 [0,2,0,0,0,0|2,0,0]=4 1280 B14R2.28472 c1cnc2cc(c(cc2c1O)F)F TS48043 [0,2,0,0,0,0|2,0,0]=4 1281 B14R2.1146 COc1cc(=O)[nH]c2c1cccc2 TS13674 [0,2,0,0,0,0|1,1,0]=4 1282 B14R2.1146 COc1cc(=O)oc2c1cccc2 TS46061 [0,2,0,0,0,0|1,1,0]=4 1283 B14R2.1146 COc1cc(cc2c1cccc2)N TS64490 [0,2,0,0,0,0|1,0,0]=3 1284 B14R2.1146 COc1cc(cc2c1cccc2)N TS71204 [0,2,0,0,0,0|1,0,0]=3 1285 B14R2.1146 COc1cc(cc2c1cccc2)N TS84369 [0,2,0,0,0,0|1,0,0]=3 1286 B14R2.1146 Cc1cc(c2ccccc2n1)C#N TS12544 [0,2,0,0,0,0|2,0,0]=4 1287 B14R2.1146 Cc1cc(c2ccccc2n1)CO TS13356 [0,2,0,0,0,0|2,0,0]=4 1288 B14R2.1146 Cc1cc(c2ccccc2n1)NN TS94078 [0,2,0,0,0,0|2,0,0]=4 1289 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr TS09611 [0,2,0,0,0,0|1,1,0]=4 1290 B14R2.1146 c1ccc2c(c1)c(cc(n2)Cl)C#N TS50828 [0,2,0,0,0,0|2,0,0]=4 1291 B14R2.28480 Cc1cc(c2c(ccnc2c1)Cl)C TS51383 [0,2,0,0,0,0|2,0,0]=4 1292 B14R2.28480 Cc1cc(c2c(ccnc2c1)O)C TS45635 [0,2,0,0,0,0|2,0,0]=4 1293 B14R2.28480 Cc1cccc2c1c(cc(c2)C)C TS45187 [0,2,0,0,0,0|1,0,0]=3 1294 B14R2.28480 c1cnc2cc(cc(c2c1O)Cl)Cl TS21608 [0,2,0,0,0,0|2,0,0]=4 1295 B14R2.1073 Cc1ccc2c(ccnc2c1)NN TS13365 [0,2,0,0,0,0|2,0,0]=4 1296 B14R2.1073 c1cc2c(ccnc2cc1Cl)NN TS17739 [0,2,0,0,0,0|2,0,0]=4 1297 B12R2.315 c1cc(c2cc[nH]c2c1)C=O TS07669 [0,0,1,1,0,0|2,0,0]=4 1298 B12R2.2017 c1ccc2ccccc(c1)C2 TS06722 [0,0,1,1,0,0|1,0,0]=3 1299 B12R2.2017 c1ccc2ccccc(c1)O2 TS06958 [0,0,1,1,0,0|0,1,0]=3 1300 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [0,0,1,0,1,0|1,0,1]=4 1301 B10R1.15 C=CC(c1ccccc1)O TS36829 [0,0,1,0,1,0|0,1,1]=4 1302 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,0,1,0,1,0|1,1,0]=4 1303 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [0,0,1,0,1,0|0,1,1]=4 1304 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [0,0,1,0,1,0|0,1,1]=4 1305 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,0,1,0,1,0|1,0,1]=4 1306 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,0,1,0,1,0|2,0,0]=4 1307 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,0,1,0,1,0|1,1,0]=4 1308 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,0,1,0,1,0|2,0,0]=4 1309 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,0,1,0,1,0|1,0,1]=4 1310 B10R2.7 c1c[nH]c2c1ccnc2 TS01216 [1,0,0,0,1,0|2,0,0]=4 1311 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [1,0,0,0,1,0|2,0,0]=4 1312 B10R2.7 c1cc2c(cc[nH]2)nc1 TS70929 [1,0,0,0,1,0|2,0,0]=4 1313 B10R2.7 c1cc2c(cco2)nc1 TS89676 [1,0,0,0,1,0|2,0,0]=4 1314 B10R2.7 c1cc2c(ccs2)nc1 TS89324 [1,0,0,0,1,0|2,0,0]=4 1315 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [1,0,0,0,1,0|2,0,0]=4 1316 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,0,1,0|0,0,1]=3 1317 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,0,1,0|0,0,1]=3 1318 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,0,1,0|2,0,0]=4 1319 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,0,1,0|1,0,0]=3 1320 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,0,1,0|1,0,0]=3 1321 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,0,1,0|1,0,0]=3 1322 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,0,1,0|1,0,0]=3 1323 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,0,1,0|2,0,0]=4 1324 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,0,1,0|2,0,0]=4 1325 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,0,1,0|2,0,0]=4 1326 B10R2.7 c1ccc2c(c1)cns2 TS06001 [1,0,0,0,1,0|2,0,0]=4 1327 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,0,1,0|2,0,0]=4 1328 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,0,1,0|2,0,0]=4 1329 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [1,0,0,0,1,0|2,0,0]=4 1330 B10R2.7 c1ccn2c(c1)ccn2 TS04725 [1,0,0,0,1,0|2,0,0]=4 1331 B10R2.7 c1ccn2cccc2c1 TS04676 [1,0,0,0,1,0|1,0,0]=3 1332 B10R2.7 c1ccn2ccnc2c1 TS56184 [1,0,0,0,1,0|2,0,0]=4 1333 B10R2.7 c1ccn2cncc2c1 TS01484 [1,0,0,0,1,0|2,0,0]=4 1334 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,0,2,0|0,1,1]=4 1335 B12R1.252 c1ccc(cc1)C=CCC(=O)O TS11546 [0,0,1,0,0,1|1,1,0]=4