0 B13R2.328 CC1=Nc2ccccc2C(=O)C1 TS11136 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 Cc1[nH]c(=O)c2ccccc2n1 TS46422 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 TS13737 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 Cc1cc(c2ccccc2n1)Cl TS14102 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.328 Cc1cc(c2ccccc2n1)N TS11011 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.328 Cc1cc(c2ccccc2n1)O TS11130 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.328 Cc1cc(c2ccccc2n1)S TS13738 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.328 Cc1cc(nc2c1cccc2)Cl TS07941 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.328 Cc1cc(nc2c1cccc2)N TS41933 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.328 Cc1cc(nc2c1cccc2)O TS32798 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.328 Cc1cc2ccccc2c(=O)o1 TS42131 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.328 Cc1cc2ccccc2c(n1)Cl TS14111 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.328 Cc1nc2ccccc2c(=O)o1 TS00093 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.328 c1cc2c([nH]c(nc2=S)Cl)nc1 TS18512 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.328 c1cc2c(c(nc(n2)Cl)Cl)nc1 TS88603 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 TS91675 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.328 c1cc2c(cc(nc2nc1)Cl)Cl TS94354 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.328 c1cc2c(nc1)nc(nc2Cl)Cl TS00618 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.328 c1cc2c(nc1)nc(nc2O)O TS42550 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.328 c1cc2cc(cc(c2nc1)N)F TS11523 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 TS01370 [0,0,0,0,0,0|2,0,2]=4 25 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)o2 TS42538 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N TS47363 [0,0,0,0,0,0|1,0,1]=2 27 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)S TS55419 [0,0,0,0,0,0|2,0,1]=3 28 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [0,0,0,0,0,0|3,0,1]=4 29 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br TS65122 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N TS42153 [0,0,0,0,0,0|2,0,1]=3 31 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [0,0,0,0,0,0|4,0,0]=4 32 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [0,0,0,0,0,0|4,0,0]=4 34 B13R2.328 c1ccc2c(c1)c(cc(=O)s2)O TS47543 [0,0,0,0,0,0|4,0,0]=4 35 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl TS00621 [0,0,0,0,0,0|3,0,0]=3 36 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F TS14838 [0,0,0,0,0,0|3,0,0]=3 37 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br TS23601 [0,0,0,0,0,0|2,0,0]=2 38 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N TS42057 [0,0,0,0,0,0|1,0,0]=1 39 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O TS47527 [0,0,0,0,0,0|2,0,0]=2 40 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O TS15096 [0,0,0,0,0,0|3,0,0]=3 41 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl TS00620 [0,0,0,0,0,0|2,0,0]=2 42 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N TS39268 [0,0,0,0,0,0|1,0,0]=1 43 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N TS42170 [0,0,0,0,0,0|0,0,0]=0 44 B13R2.328 c1ccc2c(c1)cc(cc2O)O TS08742 [0,0,0,0,0,0|4,0,0]=4 45 B13R2.328 c1ccc2c(c1)cc(nc2Br)N TS23600 [0,0,0,0,0,0|2,0,0]=2 46 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl TS59888 [0,0,0,0,0,0|3,0,0]=3 47 B13R2.328 c1ccc2c(c1)nc(nn2=O)N TS42426 [0,0,0,0,0,0|2,0,0]=2 48 B13R2.328 c1cnc2c(n1)c(nc(n2)Cl)Cl TS00616 [0,0,0,0,0,0|4,0,0]=4 49 B13R2.328 c1cnc2c(n1)c(nc(n2)N)O TS11662 [0,0,0,0,0,0|3,0,0]=3 50 B13R2.328 c1cnc2c(n1)c(nc(n2)S)O TS47880 [0,0,0,0,0,0|4,0,0]=4 51 B13R2.328 c1cncc2c1c(cc(c2)Cl)N TS47640 [0,0,0,0,0,0|4,0,0]=4 52 B13R2.328 c1cncc2c1c(nc(n2)Cl)Cl TS87073 [0,0,0,0,0,0|3,0,0]=3 53 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.24 Cc1ccc2c(n1)cccn2 TS39280 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [1,0,0,0,0,0|2,0,0]=3 57 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 Cc1ccc2cccnc2n1 TS06960 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 Cc1cnc2ccccc2n1 TS40190 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 Cc1nc2ccccc2nn1 TS07096 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.24 c1cc(cc2c1ccnc2)N TS01297 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 c1cc(nc2c1ccnc2)Br TS43588 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 c1cc(nc2c1ccnc2)Cl TS42831 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 c1cc(nc2c1cncn2)N TS01664 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 c1cc(nc2c1nccn2)N TS07207 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 TS87520 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 c1cc2c(ccc(n2)N)nc1 TS60189 [1,0,0,0,0,0|2,0,0]=3 70 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 TS90109 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.24 c1cc2cc(ccc2nc1)N TS01214 [1,0,0,0,0,0|3,0,0]=4 72 B12R2.24 c1cc2cc(ccc2nc1)N TS48009 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 c1cc2ccc(cc2nc1)N TS01298 [1,0,0,0,0,0|3,0,0]=4 74 B12R2.24 c1cc2ccc(nc2nc1)N TS40303 [1,0,0,0,0,0|2,0,0]=3 75 B12R2.24 c1cc2cnccc2cc1N TS01206 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [1,0,0,0,0,0|3,0,0]=4 78 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [1,0,0,0,0,0|2,0,0]=3 79 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [1,0,0,0,0,0|2,0,0]=3 80 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [1,0,0,0,0,0|2,0,0]=3 81 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [1,0,0,0,0,0|1,0,0]=2 82 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [1,0,0,0,0,0|2,0,0]=3 83 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [1,0,0,0,0,0|2,0,0]=3 84 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [1,0,0,0,0,0|2,0,0]=3 85 B12R2.24 c1ccc2c(c1)cnc(n2)Cl TS00964 [1,0,0,0,0,0|1,0,0]=2 86 B12R2.24 c1ccc2c(c1)cnc(n2)N TS00825 [1,0,0,0,0,0|0,0,0]=1 87 B12R2.24 c1ccc2c(c1)ncc(n2)Br TS55171 [1,0,0,0,0,0|3,0,0]=4 88 B12R2.24 c1ccc2c(c1)ncc(n2)Cl TS39269 [1,0,0,0,0,0|3,0,0]=4 89 B12R2.24 c1ccc2c(c1)ncc(n2)N TS40308 [1,0,0,0,0,0|2,0,0]=3 90 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [1,0,0,0,0,0|3,0,0]=4 91 B12R2.24 c1ccc2c(c1)ncc(n2)S TS42478 [1,0,0,0,0,0|3,0,0]=4 92 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [1,0,0,0,0,0|3,0,0]=4 93 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [1,0,0,0,0,0|3,0,0]=4 94 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [1,0,0,0,0,0|3,0,0]=4 95 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [1,0,0,0,0,0|3,0,0]=4 96 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [1,0,0,0,0,0|2,0,0]=3 97 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [1,0,0,0,0,0|3,0,0]=4 98 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [1,0,0,0,0,0|3,0,0]=4 99 B12R2.24 c1ccc2cnc(cc2c1)Br TS65951 [1,0,0,0,0,0|2,0,0]=3 100 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [1,0,0,0,0,0|2,0,0]=3 101 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [1,0,0,0,0,0|2,0,0]=3 102 B12R2.24 c1ccc2cnc(cc2c1)N TS40187 [1,0,0,0,0,0|1,0,0]=2 103 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [1,0,0,0,0,0|2,0,0]=3 104 B12R2.24 c1cncc2c1cnc(n2)Cl TS85807 [1,0,0,0,0,0|2,0,0]=3 105 B12R2.1081 Cc1c2ccccc2ccn1 TS00053 [1,0,0,0,0,0|2,0,0]=3 106 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [1,0,0,0,0,0|3,0,0]=4 107 B12R2.1081 Cc1ccnc2c1cccc2 TS01522 [1,0,0,0,0,0|2,0,0]=3 108 B12R2.1081 Cc1ccnc2c1cccc2 TS64278 [1,0,0,0,0,0|2,0,0]=3 109 B12R2.1081 Cc1ccnc2c1cccn2 TS40193 [1,0,0,0,0,0|3,0,0]=4 110 B12R2.1081 c1c2c(ncnc2ncn1)N TS07307 [1,0,0,0,0,0|2,0,0]=3 111 B12R2.1081 c1cc(c2cccnc2c1)N TS71389 [1,0,0,0,0,0|3,0,0]=4 112 B12R2.1081 c1cc2c([nH]cnc2=O)nc1 TS01663 [1,0,0,0,0,0|2,0,1]=4 113 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 TS71075 [1,0,0,0,0,0|2,0,0]=3 114 B12R2.1081 c1cc2c(ccnc2Cl)nc1 TS42832 [1,0,0,0,0,0|3,0,0]=4 115 B12R2.1081 c1cc2c(nc1)ncnc2Cl TS71074 [1,0,0,0,0,0|2,0,0]=3 116 B12R2.1081 c1cc2cccnc2c(c1)N TS01310 [1,0,0,0,0,0|3,0,0]=4 117 B12R2.1081 c1cc2ccnc(c2nc1)N TS32758 [1,0,0,0,0,0|2,0,0]=3 118 B12R2.1081 c1cc2ccncc2c(c1)N TS01308 [1,0,0,0,0,0|3,0,0]=4 119 B12R2.1081 c1cc2cnccc2c(c1)N TS71376 [1,0,0,0,0,0|3,0,0]=4 120 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [1,0,0,0,0,0|3,0,0]=4 121 B12R2.1081 c1ccc2c(c1)c(ccn2)Br TS09615 [1,0,0,0,0,0|2,0,0]=3 122 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl TS71079 [1,0,0,0,0,0|2,0,0]=3 123 B12R2.1081 c1ccc2c(c1)c(ccn2)I TS39753 [1,0,0,0,0,0|2,0,0]=3 124 B12R2.1081 c1ccc2c(c1)c(ccn2)N TS70924 [1,0,0,0,0,0|1,0,0]=2 125 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [1,0,0,0,0,0|2,0,0]=3 126 B12R2.1081 c1ccc2c(c1)c(ccn2)S TS71197 [1,0,0,0,0,0|2,0,0]=3 127 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl TS71078 [1,0,0,0,0,0|1,0,0]=2 128 B12R2.1081 c1ccc2c(c1)c(ncn2)N TS40307 [1,0,0,0,0,0|0,0,0]=1 129 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [1,0,0,0,0,0|3,0,0]=4 130 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [1,0,0,0,0,0|3,0,0]=4 131 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [1,0,0,0,0,0|3,0,0]=4 132 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [1,0,0,0,0,0|3,0,0]=4 133 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [1,0,0,0,0,0|2,0,0]=3 134 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [1,0,0,0,0,0|2,0,0]=3 135 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [1,0,0,0,0,0|3,0,0]=4 136 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [1,0,0,0,0,0|3,0,0]=4 137 B12R2.1081 c1ccc2c(c1)ccnc2Br TS00419 [1,0,0,0,0,0|2,0,0]=3 138 B12R2.1081 c1ccc2c(c1)ccnc2Cl TS46936 [1,0,0,0,0,0|2,0,0]=3 139 B12R2.1081 c1ccc2c(c1)cncc2N TS02995 [1,0,0,0,0,0|3,0,0]=4 140 B12R2.1081 c1ccc2c(c1)cnnc2Cl TS11949 [1,0,0,0,0,0|3,0,0]=4 141 B12R2.1081 c1cnc2c(n1)c(ncn2)O TS40605 [1,0,0,0,0,0|3,0,0]=4 142 B12R2.1081 c1cnc2ccncc2c1N TS40304 [1,0,0,0,0,0|2,0,0]=3 143 B12R2.1081 c1cncc2c1c(ccn2)Cl TS89403 [1,0,0,0,0,0|3,0,0]=4 144 B12R2.1081 c1cncc2c1c(ncn2)Cl TS71076 [1,0,0,0,0,0|2,0,0]=3 145 B12R2.1081 c1cncc2c1ccnc2Cl TS90648 [1,0,0,0,0,0|3,0,0]=4 146 B12R2.1081 c1cncc2c1nc[nH]c2=O TS88320 [1,0,0,0,0,0|2,0,1]=4 147 B12R2.1081 c1cncc2c1nccc2Cl TS90010 [1,0,0,0,0,0|3,0,0]=4 148 B12R2.1081 c1cncc2c1nccc2O TS07192 [1,0,0,0,0,0|3,0,0]=4 149 B12R2.1081 c1cncc2c1ncnc2Cl TS42968 [1,0,0,0,0,0|2,0,0]=3 150 B14R2.1019 CCc1[nH]c(=O)c2ccccc2n1 TS85470 [0,1,0,0,0,0|2,0,1]=4 151 B14R2.1019 CSc1[nH]c(=O)c2ccccc2n1 TS17500 [0,1,0,0,0,0|2,0,1]=4 152 B14R2.1019 CSc1nc2ccccc2c(n1)N TS17327 [0,1,0,0,0,0|1,0,0]=2 153 B14R2.1019 Cc1c2ccccc2nc(n1)CCl TS93065 [0,1,0,0,0,0|2,0,0]=3 154 B14R2.1019 Cc1cc(nc2c1cccc2)NN TS45656 [0,1,0,0,0,0|2,0,0]=3 155 B14R2.1146 COc1cc(cc2c1cccc2)N TS64490 [0,1,0,0,0,0|3,0,0]=4 156 B14R2.1146 COc1cc(cc2c1cccc2)N TS71204 [0,1,0,0,0,0|3,0,0]=4 157 B14R2.1146 COc1cc(cc2c1cccc2)N TS84369 [0,1,0,0,0,0|3,0,0]=4 158 B14R2.1146 Cc1cc(c2ccccc2n1)C#N TS12544 [0,1,0,0,0,0|2,0,1]=4 159 B14R2.1146 Cc1cc(c2ccccc2n1)CO TS13356 [0,1,0,0,0,0|3,0,0]=4 160 B14R2.1146 Cc1cc(c2ccccc2n1)NN TS94078 [0,1,0,0,0,0|2,0,0]=3 161 B14R2.1146 c1ccc2c(c1)c(cc(n2)Cl)C#N TS50828 [0,1,0,0,0,0|2,0,1]=4 162 B14R2.7724 Cc1cc(c2ccccc2c1O)N TS20821 [0,1,0,0,0,0|3,0,0]=4 163 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)N TS13315 [0,1,0,0,0,0|3,0,0]=4 164 B14R2.7724 c1ccc2c(c1)n(=O)c(nn2=O)N TS47493 [0,1,0,0,0,0|2,0,1]=4 165 B14R2.8045 Cc1[nH]c(=O)c2cccc(c2n1)O TS46080 [0,1,0,0,0,0|2,0,1]=4 166 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)Cl TS28975 [0,1,0,0,0,0|3,0,0]=4 167 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)O TS26131 [0,1,0,0,0,0|3,0,0]=4 168 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)Cl TS44114 [0,1,0,0,0,0|3,0,0]=4 169 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O TS51713 [0,1,0,0,0,0|3,0,0]=4 170 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl TS18140 [0,1,0,0,0,0|3,0,0]=4 171 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O TS14006 [0,1,0,0,0,0|3,0,0]=4 172 B14R2.8045 Cc1cc(c2cccc(c2n1)O)Cl TS09009 [0,1,0,0,0,0|3,0,0]=4 173 B14R2.8045 Cc1cc(nc2c1cccc2O)C TS00642 [0,1,0,0,0,0|3,0,0]=4 174 B14R2.8045 Cc1cccc2c1nc(cc2Br)C TS25841 [0,1,0,0,0,0|3,0,0]=4 175 B14R2.8045 Cc1cccc2c1nc(cc2C)C TS45345 [0,1,0,0,0,0|3,0,0]=4 176 B14R2.8045 Cc1cccc2c1nc(cc2C)Cl TS17381 [0,1,0,0,0,0|3,0,0]=4 177 B14R2.8045 Cc1cccc2c1nc(cc2C)O TS45644 [0,1,0,0,0,0|3,0,0]=4 178 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C TS17384 [0,1,0,0,0,0|3,0,0]=4 179 B14R2.8045 Cc1cccc2c1nc(cc2O)C TS45628 [0,1,0,0,0,0|3,0,0]=4 180 B14R2.8045 c1cc2c(c(c1)Br)nc(nc2Cl)Cl TS94445 [0,1,0,0,0,0|2,0,0]=3 181 B14R2.8188 Cc1c(c(c2ccccc2n1)N)Br TS56911 [0,1,0,0,0,0|2,0,0]=3 182 B14R2.8188 Cc1c(c2ccccc2nc1Cl)Cl TS44116 [0,1,0,0,0,0|3,0,0]=4 183 B14R2.8188 Cc1nc2ccccc2c(=O)n1N TS02636 [0,1,0,0,0,0|2,0,1]=4 184 B14R2.8188 Cn1c(=O)c2ccccc2nc1S TS17502 [0,1,0,0,0,0|2,0,1]=4 185 B14R2.8188 c1ccc2c(c1)c(=O)n(c(n2)S)N TS17662 [0,1,0,0,0,0|2,0,1]=4 186 B14R2.8235 Cc1c2cc(ccc2nc(n1)Cl)Br TS59729 [0,1,0,0,0,0|2,0,0]=3 187 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)Cl TS28976 [0,1,0,0,0,0|3,0,0]=4 188 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)N TS56907 [0,1,0,0,0,0|2,0,0]=3 189 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O TS26140 [0,1,0,0,0,0|3,0,0]=4 190 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)Cl TS44113 [0,1,0,0,0,0|3,0,0]=4 191 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)O TS51706 [0,1,0,0,0,0|3,0,0]=4 192 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl TS18139 [0,1,0,0,0,0|3,0,0]=4 193 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O TS14005 [0,1,0,0,0,0|3,0,0]=4 194 B14R2.8235 Cc1ccc2c(c1)[n+](nc(n2)N)[O-] TS13834 [0,1,0,0,0,0|2,0,0]=3 195 B14R2.8235 Cc1ccc2c(c1)c(=O)[nH]c(n2)N TS45959 [0,1,0,0,0,0|1,0,1]=3 196 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)C TS13046 [0,1,0,0,0,0|3,0,0]=4 197 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)Cl TS51384 [0,1,0,0,0,0|3,0,0]=4 198 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O TS47321 [0,1,0,0,0,0|3,0,0]=4 199 B14R2.8235 Cc1ccc2c(c1)c(nc(n2)Cl)Cl TS94369 [0,1,0,0,0,0|2,0,0]=3 200 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)Br TS22918 [0,1,0,0,0,0|3,0,0]=4 201 B14R2.8235 c1c(cnc2c1c(nc(n2)Cl)Cl)Br TS91340 [0,1,0,0,0,0|3,0,0]=4 202 B14R2.8235 c1cc(cc2c1cc(nc2Cl)Cl)Br TS91668 [0,1,0,0,0,0|3,0,0]=4 203 B14R2.8235 c1cc(nc2c1nc(nc2Cl)Cl)Cl TS88677 [0,1,0,0,0,0|3,0,0]=4 204 B14R2.8235 c1cc2c(cc1Br)c(nc(n2)Cl)Cl TS55543 [0,1,0,0,0,0|2,0,0]=3 205 B14R2.8235 c1cc2c(cc1Cl)c(cc(=O)o2)N TS52086 [0,1,0,0,0,0|3,0,0]=4 206 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl TS07907 [0,1,0,0,0,0|2,0,0]=3 207 B14R2.8235 c1cc2c(cc1F)c(=O)[nH]c(n2)Cl TS18724 [0,1,0,0,0,0|2,0,1]=4 208 B14R2.8235 c1cc2c(cc1F)c(cc(n2)Cl)Cl TS47206 [0,1,0,0,0,0|3,0,0]=4 209 B14R2.8235 c1cc2c(cc1F)c(nc(n2)Cl)Cl TS00176 [0,1,0,0,0,0|2,0,0]=3 210 B14R2.8235 c1cc2c(cc1F)c(nc(n2)Cl)N TS53910 [0,1,0,0,0,0|1,0,0]=2 211 B14R2.8235 c1cc2c(cc1F)c(nc(n2)O)O TS47834 [0,1,0,0,0,0|2,0,0]=3 212 B14R2.8235 c1cc2c(cc1I)c(nc(n2)Cl)Cl TS91171 [0,1,0,0,0,0|2,0,0]=3 213 B14R2.8235 c1cc2c(cc1N)c(nc(n2)N)N TS13691 [0,1,0,0,0,0|0,0,0]=1 214 B14R2.28480 c1cc2c(c(c1)Cl)c(nc(n2)N)N TS51935 [0,1,0,0,0,0|0,0,0]=1 215 B14R2.28480 c1cc2c(c(c1)F)c(nc(n2)N)N TS14158 [0,1,0,0,0,0|0,0,0]=1 216 B14R2.28480 c1cc2c(c(c1)F)c(nc(n2)N)N TS94849 [0,1,0,0,0,0|0,0,0]=1 217 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)Cl TS28979 [0,1,0,0,0,0|3,0,0]=4 218 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)O TS26132 [0,1,0,0,0,0|3,0,0]=4 219 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)Cl TS44117 [0,1,0,0,0,0|3,0,0]=4 220 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)Cl TS18138 [0,1,0,0,0,0|3,0,0]=4 221 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O TS14004 [0,1,0,0,0,0|3,0,0]=4 222 B14R2.29365 Cc1cc(nc2c1ccc(c2)Cl)C TS17382 [0,1,0,0,0,0|3,0,0]=4 223 B14R2.29365 Cc1cc(nc2c1ccc(c2)F)C TS13695 [0,1,0,0,0,0|3,0,0]=4 224 B14R2.29365 Cc1ccc2c(cc(nc2c1)C)C TS45346 [0,1,0,0,0,0|3,0,0]=4 225 B14R2.29365 c1c(cnc2c1nc(nc2Cl)Cl)Br TS90783 [0,1,0,0,0,0|3,0,0]=4 226 B14R2.29365 c1c(nc2c(n1)c(nc(n2)N)O)O TS47678 [0,1,0,0,0,0|3,0,0]=4 227 B14R2.29365 c1cc(nc2c1c(nc(n2)Cl)Cl)Cl TS47188 [0,1,0,0,0,0|3,0,0]=4 228 B14R2.29365 c1cc2c(cc1Br)cc(nc2Cl)Cl TS31193 [0,1,0,0,0,0|3,0,0]=4 229 B14R2.29365 c1cc2c(cc1Br)nc([nH]c2=O)N TS57312 [0,1,0,0,0,0|1,0,1]=3 230 B14R2.29365 c1cc2c(cc1Br)nc(nc2Cl)Cl TS87769 [0,1,0,0,0,0|2,0,0]=3 231 B14R2.29365 c1cc2c(cc1Cl)nc(nc2Cl)Cl TS32772 [0,1,0,0,0,0|2,0,0]=3 232 B14R2.29365 c1cc2c(cc1F)nc(nc2Cl)Cl TS00177 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.75 COc1ccccc1NC(=N)N TS12041 [0,0,1,0,0,0|2,0,1]=4 234 B12R1.75 COc1ccccc1NC(=N)N TS19288 [0,0,1,0,0,0|2,0,1]=4 235 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N TS11834 [0,0,1,0,0,0|2,0,1]=4 236 B12R1.107 c1ccc(cc1)C(=O)NC(=S)N TS14634 [0,0,1,0,0,0|2,0,1]=4 237 B12R1.283 CCOc1ccccc1C(=N)N TS38016 [0,0,1,0,0,0|2,0,1]=4 238 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,0,0,0,1,0|2,0,1]=4 239 B12R2.18 Cc1c(c2ccccc2s1)Br TS60005 [0,0,0,0,1,0|3,0,0]=4 240 B12R2.18 Cc1c(n2ccccc2n1)Br TS21075 [0,0,0,0,1,0|3,0,0]=4 241 B12R2.18 Cc1c(n2ccccc2n1)N TS40556 [0,0,0,0,1,0|2,0,0]=3 242 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,0,0,0,1,0|3,0,0]=4 243 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,0,0,0,1,0|3,0,0]=4 244 B12R2.18 Cn1c(c2ccccc2n1)Br TS92026 [0,0,0,0,1,0|3,0,0]=4 245 B12R2.18 Cn1c(c2ccccc2n1)I TS87124 [0,0,0,0,1,0|3,0,0]=4 246 B12R2.18 Cn1c2ccccc2nc1Cl TS12322 [0,0,0,0,1,0|3,0,0]=4 247 B12R2.18 Cn1c2ccccc2nc1N TS40545 [0,0,0,0,1,0|2,0,0]=3 248 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,0,0,0,1,0|1,0,2]=4 249 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,0,0,0,1,0|2,0,1]=4 250 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,0,0,0,1,0|1,0,2]=4 251 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,0,0,0,1,0|3,0,0]=4 252 B12R2.246 Cc1nc(c2cccn2n1)Cl TS29439 [0,0,0,0,1,0|3,0,0]=4 253 B12R2.246 Cc1nc2c(cc[nH]2)c(n1)Cl TS03055 [0,0,0,0,1,0|3,0,0]=4 254 B12R2.246 Cc1nc2c(ccs2)c(n1)Cl TS71023 [0,0,0,0,1,0|3,0,0]=4 255 B12R2.246 Cc1nc2ccsc2c(n1)Cl TS71024 [0,0,0,0,1,0|3,0,0]=4 256 B12R2.246 c12c(nc(nc1nn[nH]2)N)N TS69261 [0,0,0,0,1,0|3,0,0]=4 257 B12R2.246 c1[nH]c2c(n1)c(nc(n2)Br)N TS21588 [0,0,0,0,1,0|3,0,0]=4 258 B12R2.246 c1[nH]c2c(n1)nc(nc2Br)N TS21586 [0,0,0,0,1,0|3,0,0]=4 259 B12R2.246 c1[nH]c2c(n1)nc(nc2Cl)N TS93005 [0,0,0,0,1,0|3,0,0]=4 260 B12R2.246 c1[nH]c2c(n1)nc(nc2I)N TS29614 [0,0,0,0,1,0|3,0,0]=4 261 B12R2.246 c1[nH]c2c(nc(nc2n1)Cl)N TS55253 [0,0,0,0,1,0|3,0,0]=4 262 B12R2.246 c1[nH]c2c(nc(nc2n1)F)N TS10285 [0,0,0,0,1,0|3,0,0]=4 263 B12R2.246 c1[nH]c2c(nc(nc2n1)N)N TS32893 [0,0,0,0,1,0|2,0,0]=3 264 B12R2.246 c1[nH]c2c(nc(nc2n1)N)N TS62539 [0,0,0,0,1,0|2,0,0]=3 265 B12R2.246 c1[nH]c2c(nc(nc2n1)N)N TS80981 [0,0,0,0,1,0|2,0,0]=3 266 B12R2.246 c1[nH]c2c(nc(nc2n1)O)N TS81056 [0,0,0,0,1,0|3,0,0]=4 267 B12R2.246 c1c2c([nH]n1)nc(nc2Cl)N TS71012 [0,0,0,0,1,0|3,0,0]=4 268 B12R2.246 c1c2c(cs1)nc(nc2Cl)Cl TS85702 [0,0,0,0,1,0|3,0,0]=4 269 B12R2.246 c1c2c(nc(nc2[nH]n1)O)N TS10007 [0,0,0,0,1,0|3,0,0]=4 270 B12R2.246 c1c2c(nc(nc2[nH]n1)S)N TS12385 [0,0,0,0,1,0|3,0,0]=4 271 B12R2.246 c1c[nH]c2c1c(=O)[nH]c(n2)N TS08275 [0,0,0,0,1,0|2,0,1]=4 272 B12R2.246 c1c[nH]c2c1c(cc(n2)Br)N TS85691 [0,0,0,0,1,0|3,0,0]=4 273 B12R2.246 c1c[nH]c2c1c(cc(n2)Cl)N TS91218 [0,0,0,0,1,0|3,0,0]=4 274 B12R2.246 c1c[nH]c2c1c(nc(n2)Cl)Cl TS90740 [0,0,0,0,1,0|3,0,0]=4 275 B12R2.246 c1c[nH]c2c1c(nc(n2)N)Cl TS91135 [0,0,0,0,1,0|2,0,0]=3 276 B12R2.246 c1c[nH]c2c1nc([nH]c2=O)N TS08274 [0,0,0,0,1,0|2,0,1]=4 277 B12R2.246 c1c[nH]c2c1nc(nc2Cl)Cl TS00607 [0,0,0,0,1,0|3,0,0]=4 278 B12R2.246 c1c[nH]c2c1nc(nc2Cl)N TS71039 [0,0,0,0,1,0|2,0,0]=3 279 B12R2.246 c1cc2c(nc(nn2c1)Cl)Cl TS91247 [0,0,0,0,1,0|3,0,0]=4 280 B12R2.246 c1cc2c(nc(nn2c1)I)Cl TS90055 [0,0,0,0,1,0|3,0,0]=4 281 B12R2.246 c1coc2c1nc(nc2Cl)Cl TS90441 [0,0,0,0,1,0|3,0,0]=4 282 B12R2.246 c1csc2c1c(nc(n2)Cl)Cl TS00623 [0,0,0,0,1,0|3,0,0]=4 283 B12R2.246 c1csc2c1nc(nc2Cl)Cl TS00624 [0,0,0,0,1,0|3,0,0]=4 284 B12R2.2028 Cn1c2c(cccn2)c(n1)N TS00479 [0,0,0,0,1,0|3,0,0]=4 285 B12R2.2028 Cn1c2ccccc2c(n1)Br TS87833 [0,0,0,0,1,0|3,0,0]=4 286 B12R2.2028 Cn1c2ccccc2c(n1)I TS90863 [0,0,0,0,1,0|3,0,0]=4 287 B12R2.2028 c1ccc2c(c1)C(=N)NC2=N TS07097 [0,0,0,0,1,0|0,0,3]=4 288 B12R2.2028 c1ccc2c(c1)C(=N)NC2=O TS07194 [0,0,0,0,1,0|1,0,2]=4 289 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O TS07172 [0,0,0,0,1,0|3,0,0]=4 290 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS44977 [0,0,0,0,1,0|2,0,1]=4 291 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS74530 [0,0,0,0,1,0|2,0,1]=4 292 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [0,0,0,0,1,0|3,0,0]=4 293 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [1,0,1,0,0,0|0,0,2]=4 294 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [1,0,1,0,0,0|0,0,2]=4 295 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS12730 [1,0,1,0,0,0|1,0,1]=4 296 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS20098 [1,0,1,0,0,0|1,0,1]=4 297 B11R1.86 c1ccc(c(c1)NC(=N)N)F TS41263 [1,0,1,0,0,0|1,0,1]=4 298 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [1,0,1,0,0,0|2,0,0]=4 299 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [1,0,1,0,0,0|0,0,2]=4 300 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [1,0,1,0,0,0|1,0,1]=4 301 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [1,0,1,0,0,0|2,0,0]=4 302 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [1,0,1,0,0,0|2,0,0]=4 303 B11R1.53 COc1ccccc1C(=N)N TS15732 [1,0,1,0,0,0|1,0,1]=4 304 B11R1.222 c1ccc(c(c1)C(=NO)N)N TS41025 [1,0,1,0,0,0|1,0,1]=4 305 B11R1.222 c1ccc(c(c1)C(=NO)N)O TS10149 [1,0,1,0,0,0|2,0,0]=4 306 B11R2.20 c1cc2c(cccn2)nc1 TS01994 [2,0,0,0,0,0|2,0,0]=4 307 B11R2.20 c1cc2cccnc2nc1 TS02110 [2,0,0,0,0,0|2,0,0]=4 308 B11R2.20 c1cc2cnccc2nc1 TS46826 [2,0,0,0,0,0|2,0,0]=4 309 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [2,0,0,0,0,0|1,0,1]=4 310 B11R2.20 c1ccc2c(c1)ccc[nH+]2 TS72329 [2,0,0,0,0,0|1,0,1]=4 311 B11R2.20 c1ccc2c(c1)cccn2 TS05460 [2,0,0,0,0,0|1,0,0]=3 312 B11R2.20 c1ccc2c(c1)cccn2 TS12108 [2,0,0,0,0,0|1,0,0]=3 313 B11R2.20 c1ccc2c(c1)cccn2 TS77676 [2,0,0,0,0,0|1,0,0]=3 314 B11R2.20 c1ccc2c(c1)ccnn2 TS36485 [2,0,0,0,0,0|2,0,0]=4 315 B11R2.20 c1ccc2c(c1)cncn2 TS39940 [2,0,0,0,0,0|0,0,0]=2 316 B11R2.20 c1ccc2c(c1)nccn2 TS36484 [2,0,0,0,0,0|2,0,0]=4 317 B11R2.20 c1ccc2ccccc2c1 TS05355 [2,0,0,0,0,0|2,0,0]=4 318 B11R2.20 c1ccc2cnccc2c1 TS56192 [2,0,0,0,0,0|1,0,0]=3 319 B11R2.20 c1ccc2cnccc2c1 TS94810 [2,0,0,0,0,0|1,0,0]=3 320 B11R2.20 c1ccc2cnncc2c1 TS59679 [2,0,0,0,0,0|2,0,0]=4 321 B13R1.348 c1ccc(cc1)NC(=NC(=N)N)N TS14047 [0,1,1,0,0,0|0,0,1]=3 322 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [1,1,0,0,0,0|2,0,0]=4 323 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.57 C=Cc1ccc2ccccc2n1 TS10588 [1,1,0,0,0,0|2,0,0]=4 325 B13R2.57 CNc1ccc2ccccc2c1 TS41809 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.57 c1ccc2c(c1)ccc(n2)C#N TS10434 [1,1,0,0,0,0|1,0,1]=4 327 B13R2.57 c1ccc2c(c1)ccc(n2)C=O TS01677 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.57 c1ccc2c(c1)ccc(n2)CBr TS08821 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.57 c1ccc2c(c1)ccc(n2)CCl TS47092 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.57 c1ccc2c(c1)ccc(n2)CO TS65647 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.57 c1ccc2c(c1)ccc(n2)NN TS42066 [1,1,0,0,0,0|1,0,0]=3 332 B13R2.57 c1ccc2c(c1)ncc(n2)NN TS42171 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.57 c1ccc2cc(ccc2c1)CN TS17752 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.57 c1ccc2cc(ccc2c1)CN TS46703 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.57 c1ccc2cc(ccc2c1)NN TS11005 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.57 c1ccc2cc(ccc2c1)NN TS65617 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.57 c1ccc2cnc(cc2c1)C#N TS70640 [1,1,0,0,0,0|1,0,1]=4 338 B13R2.57 c1ccc2cnc(cc2c1)C=O TS70641 [1,1,0,0,0,0|2,0,0]=4 339 B13R2.155 Cc1ccc2ccc(cc2n1)Cl TS14116 [1,1,0,0,0,0|2,0,0]=4 340 B13R2.155 Cc1ccc2ccc(cc2n1)F TS42304 [1,1,0,0,0,0|2,0,0]=4 341 B13R2.155 Cc1ccc2ccc(nc2c1)C TS41802 [1,1,0,0,0,0|2,0,0]=4 342 B13R2.155 c1c(cnc2c1nc(nc2)Cl)Br TS87888 [1,1,0,0,0,0|2,0,0]=4 343 B13R2.155 c1cc(cc2c1ccc(c2)O)N TS11137 [1,1,0,0,0,0|2,0,0]=4 344 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br TS09158 [1,1,0,0,0,0|2,0,0]=4 345 B13R2.155 c1cc(cc2c1ccc(n2)N)Br TS23609 [1,1,0,0,0,0|1,0,0]=3 346 B13R2.155 c1cc(cc2c1ccc(n2)O)Cl TS55673 [1,1,0,0,0,0|2,0,0]=4 347 B13R2.155 c1cc2cnc(nc2cc1Br)Cl TS85708 [1,1,0,0,0,0|1,0,0]=3 348 B13R2.155 c1cc2cnc(nc2cc1Cl)N TS94436 [1,1,0,0,0,0|0,0,0]=2 349 B13R2.155 c1cc2cnc(nc2cc1F)Cl TS00945 [1,1,0,0,0,0|1,0,0]=3 350 B13R2.162 Cc1ccc2cccc(c2n1)Cl TS14101 [1,1,0,0,0,0|2,0,0]=4 351 B13R2.162 Cc1ccc2cccc(c2n1)F TS11390 [1,1,0,0,0,0|2,0,0]=4 352 B13R2.162 Cc1ccc2cccc(c2n1)N TS01309 [1,1,0,0,0,0|2,0,0]=4 353 B13R2.162 Cc1ccc2cccc(c2n1)O TS85354 [1,1,0,0,0,0|2,0,0]=4 354 B13R2.162 Cc1cccc2c1nc(cc2)C TS10881 [1,1,0,0,0,0|2,0,0]=4 355 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl TS07930 [1,1,0,0,0,0|2,0,0]=4 356 B13R2.162 c1cc2ccc(nc2c(c1)O)N TS11251 [1,1,0,0,0,0|1,0,0]=3 357 B13R2.162 c1cc2ccc(nc2c(c1)O)O TS59682 [1,1,0,0,0,0|2,0,0]=4 358 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl TS91660 [1,1,0,0,0,0|1,0,0]=3 359 B13R2.369 Cc1c(nc2ccccc2n1)N TS42053 [1,1,0,0,0,0|2,0,0]=4 360 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [1,1,0,0,0,0|2,0,0]=4 361 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [1,1,0,0,0,0|2,0,0]=4 362 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [1,1,0,0,0,0|1,0,0]=3 363 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [1,1,0,0,0,0|2,0,0]=4 364 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [1,1,0,0,0,0|2,0,0]=4 365 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [1,1,0,0,0,0|2,0,0]=4 366 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N TS91481 [1,1,0,0,0,0|2,0,0]=4 367 B13R2.369 c1ccc2c(c1)nc(c(n2)N)N TS42172 [1,1,0,0,0,0|2,0,0]=4 368 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [1,1,0,0,0,0|2,0,0]=4 369 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [1,1,0,0,0,0|2,0,0]=4 370 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Br TS60271 [1,1,0,0,0,0|2,0,0]=4 371 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C TS41807 [1,1,0,0,0,0|2,0,0]=4 372 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl TS00938 [1,1,0,0,0,0|2,0,0]=4 373 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O TS11124 [1,1,0,0,0,0|2,0,0]=4 374 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N TS42056 [1,1,0,0,0,0|0,0,0]=2 375 B13R2.3683 Cc1ccc2cc(ccc2n1)Br TS22919 [1,1,0,0,0,0|2,0,0]=4 376 B13R2.3683 Cc1ccc2cc(ccc2n1)Cl TS14103 [1,1,0,0,0,0|2,0,0]=4 377 B13R2.3683 Cc1ccc2cc(ccc2n1)F TS11393 [1,1,0,0,0,0|2,0,0]=4 378 B13R2.3683 Cc1ccc2cc(ccc2n1)N TS41914 [1,1,0,0,0,0|2,0,0]=4 379 B13R2.3683 Cc1ccc2cc(ccc2n1)O TS42045 [1,1,0,0,0,0|2,0,0]=4 380 B13R2.3683 c1c2cnc(nc2ncc1Br)Cl TS87147 [1,1,0,0,0,0|2,0,0]=4 381 B13R2.3683 c1cc(cc2c1cc(cc2)Br)N TS00796 [1,1,0,0,0,0|2,0,0]=4 382 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br TS87781 [1,1,0,0,0,0|2,0,0]=4 383 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br TS89312 [1,1,0,0,0,0|1,0,0]=3 384 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl TS55546 [1,1,0,0,0,0|2,0,0]=4 385 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl TS32896 [1,1,0,0,0,0|2,0,0]=4 386 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N TS47632 [1,1,0,0,0,0|1,0,0]=3 387 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O TS02272 [1,1,0,0,0,0|2,0,0]=4 388 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl TS55265 [1,1,0,0,0,0|2,0,0]=4 389 B13R2.3683 c1cc(nc2c1cc(cc2)I)O TS94279 [1,1,0,0,0,0|2,0,0]=4 390 B13R2.3683 c1cc2c(cc1Br)cnc(=O)[nH]2 TS55542 [1,1,0,0,0,0|1,0,1]=4 391 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl TS86670 [1,1,0,0,0,0|1,0,0]=3 392 B13R2.3683 c1cc2c(cc1Br)ncc(n2)N TS22921 [1,1,0,0,0,0|2,0,0]=4 393 B13R2.5179 Cc1ccc2c(cccc2n1)N TS41923 [1,1,0,0,0,0|2,0,0]=4 394 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl TS18555 [1,1,0,0,0,0|2,0,0]=4 395 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br TS91243 [1,1,0,0,0,0|1,0,0]=3 396 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl TS14478 [1,1,0,0,0,0|0,0,0]=2 397 B13R2.5179 c1cc2cc(ccc2c(c1)O)N TS42041 [1,1,0,0,0,0|2,0,0]=4 398 B13R2.342 Cc1cccc2c1nccc2Br TS50052 [1,1,0,0,0,0|2,0,0]=4 399 B13R2.342 Cc1cccc2c1nccc2Cl TS14109 [1,1,0,0,0,0|2,0,0]=4 400 B13R2.342 Cc1cccc2c1nccc2N TS41932 [1,1,0,0,0,0|1,0,0]=3 401 B13R2.342 Cc1cccc2c1nccc2O TS42048 [1,1,0,0,0,0|2,0,0]=4 402 B13R2.342 Cc1ccnc2c1cccc2Br TS50055 [1,1,0,0,0,0|2,0,0]=4 403 B13R2.342 c1cc2c(c(c1)Br)ncnc2Cl TS01316 [1,1,0,0,0,0|1,0,0]=3 404 B13R2.342 c1cc2c(cccc2Br)c(c1)N TS23398 [1,1,0,0,0,0|2,0,0]=4 405 B13R2.342 c1cc2c(cccc2N)c(c1)N TS41919 [1,1,0,0,0,0|2,0,0]=4 406 B13R2.342 c1cc2c(cccc2O)c(c1)N TS42040 [1,1,0,0,0,0|2,0,0]=4 407 B13R2.342 c1cc2c(ccnc2Cl)c(c1)N TS16639 [1,1,0,0,0,0|2,0,0]=4 408 B13R2.342 c1cc2c(ccnc2O)c(c1)O TS11370 [1,1,0,0,0,0|2,0,0]=4 409 B13R2.342 c1cc2c(ccnc2c(c1)Br)Br TS35017 [1,1,0,0,0,0|2,0,0]=4 410 B13R2.342 c1cc2c(ccnc2c(c1)Br)Cl TS26919 [1,1,0,0,0,0|2,0,0]=4 411 B13R2.342 c1cc2c(ccnc2c(c1)Br)N TS65118 [1,1,0,0,0,0|1,0,0]=3 412 B13R2.342 c1cc2c(ccnc2c(c1)Br)O TS50408 [1,1,0,0,0,0|2,0,0]=4 413 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Br TS55697 [1,1,0,0,0,0|2,0,0]=4 414 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Cl TS18556 [1,1,0,0,0,0|2,0,0]=4 415 B13R2.342 c1cc2c(ccnc2c(c1)Cl)N TS47630 [1,1,0,0,0,0|1,0,0]=3 416 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O TS55698 [1,1,0,0,0,0|2,0,0]=4 417 B13R2.342 c1cc2c(ccnc2c(c1)F)Br TS24098 [1,1,0,0,0,0|2,0,0]=4 418 B13R2.342 c1cc2c(ccnc2c(c1)F)N TS11521 [1,1,0,0,0,0|1,0,0]=3 419 B13R2.342 c1cc2c(ccnc2c(c1)F)O TS11675 [1,1,0,0,0,0|2,0,0]=4 420 B13R2.342 c1cc2c(ccnc2c(c1)I)Br TS63869 [1,1,0,0,0,0|2,0,0]=4 421 B13R2.342 c1cc2c(ccnc2c(c1)I)Cl TS35240 [1,1,0,0,0,0|2,0,0]=4 422 B13R2.342 c1cc2c(ccnc2c(c1)I)N TS30746 [1,1,0,0,0,0|1,0,0]=3 423 B13R2.342 c1cc2c(ccnc2c(c1)I)O TS74083 [1,1,0,0,0,0|2,0,0]=4 424 B13R2.342 c1cc2c(ccnc2c(c1)O)Br TS50410 [1,1,0,0,0,0|2,0,0]=4 425 B13R2.342 c1cc2c(ccnc2c(c1)O)Cl TS47796 [1,1,0,0,0,0|2,0,0]=4 426 B13R2.371 c1ccc2c(c1)c(ccc2Br)N TS50054 [1,1,0,0,0,0|2,0,0]=4 427 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS14114 [1,1,0,0,0,0|2,0,0]=4 428 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS71519 [1,1,0,0,0,0|2,0,0]=4 429 B13R2.371 c1ccc2c(c1)c(ccc2I)N TS30627 [1,1,0,0,0,0|2,0,0]=4 430 B13R2.371 c1ccc2c(c1)c(ccc2N)N TS94602 [1,1,0,0,0,0|2,0,0]=4 431 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br TS35015 [1,1,0,0,0,0|2,0,0]=4 432 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br TS70937 [1,1,0,0,0,0|2,0,0]=4 433 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Cl TS00389 [1,1,0,0,0,0|2,0,0]=4 434 B13R2.371 c1ccc2c(c1)c(cnc2Cl)O TS47799 [1,1,0,0,0,0|2,0,0]=4 435 B13R2.371 c1ccc2c(c1)c(cnc2I)Br TS63867 [1,1,0,0,0,0|2,0,0]=4 436 B13R2.1613 CNc1cccc2c1cccc2 TS17753 [1,1,0,0,0,0|2,0,0]=4 437 B13R2.1613 CNc1cccc2c1cccc2 TS56412 [1,1,0,0,0,0|2,0,0]=4 438 B13R2.1613 COc1ccnc2c1cccc2 TS42047 [1,1,0,0,0,0|2,0,0]=4 439 B13R2.1613 c1ccc2c(c1)c(ccn2)C#N TS10436 [1,1,0,0,0,0|1,0,1]=4 440 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O TS03189 [1,1,0,0,0,0|2,0,0]=4 441 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS03002 [1,1,0,0,0,0|1,0,0]=3 442 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS17972 [1,1,0,0,0,0|1,0,0]=3 443 B13R2.1613 c1ccc2c(c1)c(ccn2)NN TS53576 [1,1,0,0,0,0|1,0,0]=3 444 B13R2.1613 c1ccc2c(c1)cccc2CN TS41804 [1,1,0,0,0,0|2,0,0]=4 445 B13R2.1613 c1ccc2c(c1)cccc2NN TS17974 [1,1,0,0,0,0|2,0,0]=4 446 B13R2.1613 c1ccc2c(c1)ccnc2C#N TS10437 [1,1,0,0,0,0|1,0,1]=4 447 B13R2.1613 c1ccc2c(c1)ccnc2C=O TS46977 [1,1,0,0,0,0|2,0,0]=4 448 B13R2.1613 c1ccc2c(c1)ccnc2CBr TS74829 [1,1,0,0,0,0|2,0,0]=4 449 B13R2.1613 c1ccc2c(c1)ccnc2CN TS53134 [1,1,0,0,0,0|1,0,0]=3 450 B13R2.1613 c1ccc2c(c1)ccnc2CO TS42044 [1,1,0,0,0,0|2,0,0]=4 451 B13R2.4818 Cc1cccc2c1c(ccn2)Cl TS14106 [1,1,0,0,0,0|2,0,0]=4 452 B13R2.4818 Cc1cccc2c1c(ccn2)O TS42046 [1,1,0,0,0,0|2,0,0]=4 453 B13R2.4818 c1cc2c(c(c1)Br)c(ncn2)Cl TS32803 [1,1,0,0,0,0|1,0,0]=3 454 B13R2.4818 c1cc2c(c(c1)Cl)c(=O)[nH]cn2 TS14689 [1,1,0,0,0,0|1,0,1]=4 455 B13R2.4818 c1cc2c(c(c1)Cl)c(ncn2)Cl TS54146 [1,1,0,0,0,0|1,0,0]=3 456 B13R2.4818 c1cc2c(c(c1)F)c(ccn2)Cl TS14836 [1,1,0,0,0,0|2,0,0]=4 457 B13R2.4818 c1cc2c(c(c1)F)c(ncn2)N TS11678 [1,1,0,0,0,0|0,0,0]=2 458 B13R2.4818 c1cc2c(c(c1)F)c(ncn2)O TS11812 [1,1,0,0,0,0|1,0,0]=3 459 B13R2.4818 c1cc2c(c(ccn2)N)c(c1)Cl TS47629 [1,1,0,0,0,0|1,0,0]=3 460 B13R2.4818 c1cc2c(c(ccn2)O)c(c1)Br TS50409 [1,1,0,0,0,0|2,0,0]=4 461 B13R2.4818 c1cc2c(c(ccn2)O)c(c1)F TS11664 [1,1,0,0,0,0|2,0,0]=4 462 B13R2.4818 c1cc2cccc(c2c(c1)N)N TS11010 [1,1,0,0,0,0|2,0,0]=4 463 B13R2.45 Cn1c2ccccc2nc1CN TS11420 [0,1,0,0,1,0|2,0,0]=4 464 B13R2.45 Cn1c2ccccc2nc1NN TS42464 [0,1,0,0,1,0|2,0,0]=4 465 B13R2.135 CCn1c2ccccc2nc1N TS11416 [0,1,0,0,1,0|2,0,0]=4 466 B13R2.5397 Cc1cc2c([nH]1)nc(nc2Cl)N TS90590 [0,1,0,0,1,0|2,0,0]=4 467 B13R2.5397 c12c(nc(nc1[nH]c(n2)O)N)N TS43008 [0,1,0,0,1,0|2,0,0]=4 468 B13R2.5397 c12c(nc(nc1[nH]c(n2)S)N)N TS48253 [0,1,0,0,1,0|2,0,0]=4 469 B15R2.14951 c1ccc2c(c1)c(cc(n2)C(=O)O)N TS15944 [0,2,0,0,0,0|2,0,0]=4 470 B15R2.22666 Cc1cc(c2ccc(cc2n1)Cl)NN TS43358 [0,2,0,0,0,0|2,0,0]=4 471 B15R2.22677 Cc1cc(c2cccc(c2n1)Cl)NN TS43359 [0,2,0,0,0,0|2,0,0]=4 472 B15R2.22677 Cc1cccc2c1nc(cc2NN)C TS50582 [0,2,0,0,0,0|2,0,0]=4 473 B15R2.89950 Cc1cc(c2cc(ccc2n1)Cl)NN TS43363 [0,2,0,0,0,0|2,0,0]=4 474 B15R2.89950 Cc1cc(c2cc(ccc2n1)F)NN TS17283 [0,2,0,0,0,0|2,0,0]=4 475 B15R2.89950 Cc1ccc2c(c1)c(cc(n2)C)NN TS50581 [0,2,0,0,0,0|2,0,0]=4 476 B15R2.20937 COc1cccc2c1nc(nc2Cl)Cl TS94375 [0,2,0,0,0,0|2,0,0]=4 477 B15R2.20937 c1cc(c2c(c1)c(nc(n2)Cl)Cl)C#N TS50401 [0,2,0,0,0,0|2,0,0]=4 478 B15R2.59732 c1c(cc(c2c1c(nc(n2)Cl)Cl)Cl)Cl TS30475 [0,2,0,0,0,0|2,0,0]=4 479 B15R2.21329 COc1ccc2c(c1)c(nc(n2)Cl)Cl TS86698 [0,2,0,0,0,0|2,0,0]=4 480 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)N TS50744 [0,2,0,0,0,0|2,0,0]=4 481 B15R2.21329 c1c(nc2c(nc(nc2n1)N)N)CO TS17441 [0,2,0,0,0,0|2,0,0]=4 482 B15R2.21329 c1c(nc2c(nc(nc2n1)N)N)CO TS33458 [0,2,0,0,0,0|2,0,0]=4 483 B15R2.21329 c1c(nc2c(nc(nc2n1)N)N)CO TS59663 [0,2,0,0,0,0|2,0,0]=4 484 B15R2.59733 Cc1c(nc2c(n1)c(nc(n2)N)N)C TS51114 [0,2,0,0,0,0|2,0,0]=4 485 B15R2.89396 COc1ccc2c(c1)nc(nc2Cl)Cl TS88581 [0,2,0,0,0,0|2,0,0]=4 486 B15R2.89396 c1cc2c(cc1C#N)nc(nc2Cl)Cl TS94426 [0,2,0,0,0,0|2,0,0]=4 487 B13R2.26 c1ccc2c(c1)[nH]c(n2)CCN TS42325 [0,0,1,1,0,0|1,0,1]=4 488 B13R2.10 Cc1[nH]cc(n1)c2ccccc2 TS02165 [0,0,1,1,0,0|2,0,0]=4 489 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 TS41915 [0,0,1,1,0,0|2,0,0]=4 490 B13R2.10 Cc1cc([nH]n1)c2ccccc2 TS41916 [0,0,1,1,0,0|2,0,0]=4 491 B13R2.10 Cc1nc(sn1)c2ccccc2 TS46140 [0,0,1,1,0,0|2,0,0]=4 492 B13R2.10 c1cc(cnc1)c2[nH][nH]c(=S)n2 TS14205 [0,0,1,1,0,0|2,0,0]=4 493 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)N TS09151 [0,0,1,1,0,0|0,0,0]=2 494 B13R2.10 c1ccc(cc1)c2cc(n[nH]2)N TS42058 [0,0,1,1,0,0|1,0,0]=3 495 B13R2.10 c1ccc(cc1)c2cc(n[nH]2)N TS53571 [0,0,1,1,0,0|1,0,0]=3 496 B13R2.10 c1ccc(cc1)c2nc(no2)N TS42290 [0,0,1,1,0,0|1,0,0]=3 497 B13R2.10 c1ccc(cc1)c2nc(ns2)N TS01176 [0,0,1,1,0,0|1,0,0]=3 498 B13R2.10 c1ccc(cc1)c2nc(sn2)N TS02043 [0,0,1,1,0,0|1,0,1]=4 499 B13R2.10 c1ccc(cc1)c2nnc(o2)N TS42299 [0,0,1,1,0,0|1,0,1]=4 500 B13R2.5569 c1cc(c2c(c1)[nH]cn2)C(=O)O TS46945 [0,0,1,1,0,0|2,0,0]=4 501 B13R2.5569 c1cc(c2cc[nH]c2c1)C(=S)N TS13892 [0,0,1,1,0,0|2,0,0]=4 502 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,0,1,0,1,0|1,0,1]=4 503 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,0,1,0,1,0|1,0,1]=4 504 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [1,0,0,0,1,0|2,0,0]=4 505 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [1,0,0,0,1,0|2,0,0]=4 506 B11R2.1 Cc1c2ccccc2on1 TS36752 [1,0,0,0,1,0|2,0,0]=4 507 B11R2.1 Cc1c2ccccn2cn1 TS36686 [1,0,0,0,1,0|2,0,0]=4 508 B11R2.1 Cn1c2ccccc2cn1 TS36679 [1,0,0,0,1,0|2,0,0]=4 509 B11R2.1 c1cc2c(c(n[nH]2)N)nc1 TS87172 [1,0,0,0,1,0|2,0,0]=4 510 B11R2.1 c1cc2c(c(no2)N)nc1 TS88315 [1,0,0,0,1,0|2,0,0]=4 511 B11R2.1 c1cc2c(n[nH]c2nc1)N TS85316 [1,0,0,0,1,0|2,0,0]=4 512 B11R2.1 c1cc2c(noc2nc1)N TS05975 [1,0,0,0,1,0|2,0,0]=4 513 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [1,0,0,0,1,0|0,0,1]=3 514 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [1,0,0,0,1,0|2,0,0]=4 515 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [1,0,0,0,1,0|2,0,0]=4 516 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [1,0,0,0,1,0|2,0,0]=4 517 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [1,0,0,0,1,0|1,0,0]=3 518 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [1,0,0,0,1,0|2,0,0]=4 519 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [1,0,0,0,1,0|2,0,0]=4 520 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [1,0,0,0,1,0|1,0,0]=3 521 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [1,0,0,0,1,0|2,0,0]=4 522 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [1,0,0,0,1,0|2,0,0]=4 523 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [1,0,0,0,1,0|1,0,0]=3 524 B11R2.1 c1ccc2c(c1)ccn2N TS64998 [1,0,0,0,1,0|2,0,0]=4 525 B11R2.1 c1ccc2c(c1)nnn2N TS05886 [1,0,0,0,1,0|2,0,0]=4 526 B11R2.1 c1ccn2cnc(c2c1)Br TS18393 [1,0,0,0,1,0|2,0,0]=4 527 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [1,0,0,0,1,0|2,0,0]=4 528 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [1,0,0,0,1,0|1,0,1]=4 529 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [1,0,0,0,1,0|1,0,1]=4 530 B11R2.10 Cc1cc2ccccc2o1 TS01131 [1,0,0,0,1,0|2,0,0]=4 531 B11R2.10 Cc1cc2ccccc2s1 TS07494 [1,0,0,0,1,0|2,0,0]=4 532 B11R2.10 Cc1cn2ccccc2n1 TS65603 [1,0,0,0,1,0|2,0,0]=4 533 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [1,0,0,0,1,0|2,0,0]=4 534 B11R2.10 Cc1nc2ccccc2o1 TS36749 [1,0,0,0,1,0|2,0,0]=4 535 B11R2.10 Cc1nc2ccccc2s1 TS01132 [1,0,0,0,1,0|2,0,0]=4 536 B11R2.10 Cn1cc2ccccc2n1 TS86923 [1,0,0,0,1,0|2,0,0]=4 537 B11R2.10 Cn1nc2ccccc2n1 TS05822 [1,0,0,0,1,0|2,0,0]=4 538 B11R2.10 c1cc2c(nc1)sc(n2)N TS41029 [1,0,0,0,1,0|2,0,0]=4 539 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [1,0,0,0,1,0|2,0,0]=4 540 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [1,0,0,0,1,0|1,0,1]=4 541 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [1,0,0,0,1,0|1,0,1]=4 542 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [1,0,0,0,1,0|1,0,1]=4 543 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [1,0,0,0,1,0|0,0,1]=3 544 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [1,0,0,0,1,0|1,0,1]=4 545 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [1,0,0,0,1,0|1,0,1]=4 546 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [1,0,0,0,1,0|1,0,1]=4 547 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [1,0,0,0,1,0|1,0,1]=4 548 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [1,0,0,0,1,0|0,0,1]=3 549 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [1,0,0,0,1,0|2,0,0]=4 550 B11R2.10 c1ccc2c(c1)nc([se]2)S TS44462 [1,0,0,0,1,0|2,0,0]=4 551 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [1,0,0,0,1,0|2,0,0]=4 552 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [1,0,0,0,1,0|1,0,0]=3 553 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [1,0,0,0,1,0|2,0,0]=4 554 B11R2.10 c1ccc2c(c1)nc(s2)Br TS00846 [1,0,0,0,1,0|2,0,0]=4 555 B11R2.10 c1ccc2c(c1)nc(s2)Cl TS07939 [1,0,0,0,1,0|2,0,0]=4 556 B11R2.10 c1ccc2c(c1)nc(s2)F TS41271 [1,0,0,0,1,0|2,0,0]=4 557 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [1,0,0,0,1,0|1,0,0]=3 558 B11R2.10 c1ccc2c(c1)nc(s2)S TS39815 [1,0,0,0,1,0|2,0,0]=4 559 B11R2.10 c1ccc2c(c1)nc(s2)S TS80959 [1,0,0,0,1,0|2,0,0]=4 560 B11R2.10 c1ccc2c(c1)nn(n2)N TS05888 [1,0,0,0,1,0|1,0,0]=3 561 B11R2.10 c1ccn2c(c1)cc(n2)Cl TS00955 [1,0,0,0,1,0|2,0,0]=4 562 B11R2.10 c1ccn2c(c1)nc(n2)N TS22754 [1,0,0,0,1,0|1,0,0]=3 563 B11R2.10 c1cncc2c1[nH]c(n2)N TS64996 [1,0,0,0,1,0|1,0,1]=4 564 B11R2.10 c1cncc2c1nc(s2)N TS91638 [1,0,0,0,1,0|2,0,0]=4 565 B11R2.10 c1cncc2c1sc(n2)N TS41028 [1,0,0,0,1,0|2,0,0]=4 566 B11R2.36 c1c2c(nc[nH]2)nc(n1)N TS05982 [1,0,0,0,1,0|2,0,0]=4 567 B11R2.36 c1c2c(nc[nH]2)nc(n1)N TS18570 [1,0,0,0,1,0|2,0,0]=4 568 B11R2.36 c1c[nH]c2c1cc(nc2)N TS86055 [1,0,0,0,1,0|2,0,0]=4 569 B11R2.36 c1c[nH]c2c1cnc(c2)N TS36763 [1,0,0,0,1,0|2,0,0]=4 570 B11R2.36 c1c[nH]c2c1cnc(n2)N TS87508 [1,0,0,0,1,0|1,0,0]=3 571 B11R2.36 c1c[nH]c2c1nc(nc2)Cl TS85744 [1,0,0,0,1,0|2,0,0]=4 572 B11R2.36 c1cc(nc2c1[nH]cc2)N TS59672 [1,0,0,0,1,0|2,0,0]=4 573 B11R2.36 c1cc(nc2c1cc[nH]2)N TS00459 [1,0,0,0,1,0|2,0,0]=4 574 B11R2.36 c1cc2cnc(nn2c1)Cl TS92805 [1,0,0,0,1,0|2,0,0]=4 575 B11R2.36 c1csc2c1cnc(n2)Cl TS85775 [1,0,0,0,1,0|2,0,0]=4 576 B11R2.36 c1csc2c1nc(nc2)Cl TS87499 [1,0,0,0,1,0|2,0,0]=4 577 B11R2.106 Cc1c2cc[nH]c2ncn1 TS86397 [1,0,0,0,1,0|2,0,0]=4 578 B11R2.106 c1[nH]c2c(ncnc2n1)N TS66732 [1,0,0,0,1,0|2,0,0]=4 579 B11R2.106 c1c2c(ncnc2[nH]n1)N TS70919 [1,0,0,0,1,0|2,0,0]=4 580 B11R2.106 c1c2c(ncnc2[nH]n1)N TS93586 [1,0,0,0,1,0|2,0,0]=4 581 B11R2.106 c1c[nH]c2c1c(ccn2)N TS70904 [1,0,0,0,1,0|2,0,0]=4 582 B11R2.106 c1c[nH]c2c1c(ncc2)N TS46962 [1,0,0,0,1,0|2,0,0]=4 583 B11R2.106 c1c[nH]c2c1c(ncn2)Br TS18537 [1,0,0,0,1,0|2,0,0]=4 584 B11R2.106 c1c[nH]c2c1c(ncn2)Cl TS10361 [1,0,0,0,1,0|2,0,0]=4 585 B11R2.106 c1c[nH]c2c1c(ncn2)I TS91355 [1,0,0,0,1,0|2,0,0]=4 586 B11R2.106 c1c[nH]c2c1c(ncn2)N TS25192 [1,0,0,0,1,0|1,0,0]=3 587 B11R2.106 c1c[nH]c2c1c(ncn2)N TS70906 [1,0,0,0,1,0|1,0,0]=3 588 B11R2.106 c1c[nH]c2c1ccnc2N TS36765 [1,0,0,0,1,0|2,0,0]=4 589 B11R2.106 c1c[nH]c2c1nccc2N TS01296 [1,0,0,0,1,0|2,0,0]=4 590 B11R2.106 c1c[nH]c2c1ncnc2Cl TS71040 [1,0,0,0,1,0|2,0,0]=4 591 B11R2.106 c1c[nH]c2c1ncnc2N TS88154 [1,0,0,0,1,0|1,0,0]=3 592 B11R2.106 c1cc2c(ccnn2c1)N TS87574 [1,0,0,0,1,0|2,0,0]=4 593 B11R2.106 c1cc2c(ncnn2c1)Cl TS87792 [1,0,0,0,1,0|2,0,0]=4 594 B11R2.106 c1cc2c(ncnn2c1)N TS05883 [1,0,0,0,1,0|1,0,0]=3 595 B11R2.106 c1cnc(c2c1ccs2)N TS89285 [1,0,0,0,1,0|2,0,0]=4 596 B11R2.106 c1coc2c1c(ncn2)Cl TS10523 [1,0,0,0,1,0|2,0,0]=4 597 B11R2.106 c1coc2c1c(ncn2)N TS88109 [1,0,0,0,1,0|1,0,0]=3 598 B11R2.106 c1coc2c1ncnc2Cl TS87417 [1,0,0,0,1,0|2,0,0]=4 599 B11R2.106 c1csc2c1c(ncn2)Cl TS71081 [1,0,0,0,1,0|2,0,0]=4 600 B11R2.106 c1csc2c1c(ncn2)N TS10065 [1,0,0,0,1,0|1,0,0]=3 601 B11R2.106 c1csc2c1ncnc2Cl TS71083 [1,0,0,0,1,0|2,0,0]=4 602 B11R2.106 c1csc2c1ncnc2Cl TS74624 [1,0,0,0,1,0|2,0,0]=4 603 B11R2.106 c1csc2c1ncnc2S TS12577 [1,0,0,0,1,0|2,0,0]=4