0 B12R2.612 Cc1c2c(cc(cn2)Br)[nH]n1 TS85626 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br TS87005 [0,0,0,0,0,0|1,1,0]=2 2 B12R2.612 Cc1c2ccc(cc2[nH]n1)I TS85999 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.612 Cc1c2ccc(cc2[nH]n1)N TS88598 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.612 Cc1c2ccc(cc2[nH]n1)O TS55602 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,0,0,0,0,0|2,1,0]=3 6 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,0,0,0,0,0|2,1,0]=3 8 B12R2.612 Cc1c2ccc(nc2[nH]n1)Cl TS91364 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.612 Cc1c2ccc(nc2[nH]n1)F TS86355 [0,0,0,0,0,0|2,1,0]=3 10 B12R2.612 Cc1c[nH]c2c1ccc(n2)Cl TS87182 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.612 Cc1c[nH]c2c1ncc(c2)Br TS92312 [0,0,0,0,0,0|3,1,0]=4 12 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.612 Cc1ccc2c(c1)[nH]nc2Br TS21070 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.612 Cc1ccc2c(c1)[nH]nc2Cl TS12320 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [0,0,0,0,0,0|1,0,0]=1 17 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.612 Cc1nnc2n1ccc(c2)Br TS89351 [0,0,0,0,0,0|2,1,1]=4 19 B12R2.612 Cn1c2ccc(cc2cn1)Br TS88567 [0,0,0,0,0,0|3,1,0]=4 20 B12R2.612 Cn1c2ccc(cc2cn1)N TS00017 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.612 Cn1c2ccc(cc2cn1)N TS00471 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.612 c1c(c2cnc(nc2[nH]1)Cl)Br TS88574 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.612 c1c(cnc2c1[nH]nc2N)Br TS85625 [0,0,0,0,0,0|2,1,0]=3 24 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.612 c1c2c(cnc1Cl)c(c[nH]2)Br TS90841 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,0,0,0,0,0|2,1,1]=4 27 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,0,0,0,0,0|1,1,2]=4 28 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,0,0,0,0,0|2,1,1]=4 29 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,0,0,0,0,0|2,1,1]=4 30 B12R2.612 c1cc2c(cc1Br)[nH]cc2Br TS33657 [0,0,0,0,0,0|2,1,0]=3 31 B12R2.612 c1cc2c(cc1Br)[nH]nc2Cl TS25112 [0,0,0,0,0,0|1,1,0]=2 32 B12R2.612 c1cc2c(cc1Br)[nH]nc2I TS87711 [0,0,0,0,0,0|1,1,0]=2 33 B12R2.612 c1cc2c(cc1Br)[nH]nc2N TS85079 [0,0,0,0,0,0|1,1,0]=2 34 B12R2.612 c1cc2c(cc1Br)[nH]nc2O TS09157 [0,0,0,0,0,0|0,1,0]=1 35 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,0,0,0,0,0|2,0,1]=3 36 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,0,0,0,0,0|1,0,2]=3 37 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,0,0,0,0,0|2,0,1]=3 38 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,0,0,0,0,0|2,0,1]=3 39 B12R2.612 c1cc2c(cc1Cl)[nH]nc2I TS34053 [0,0,0,0,0,0|1,0,0]=1 40 B12R2.612 c1cc2c(cc1Cl)[nH]nc2O TS44938 [0,0,0,0,0,0|0,0,0]=0 41 B12R2.612 c1cc2c(cc1Cl)onc2O TS85119 [0,0,0,0,0,0|1,0,0]=1 42 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,0,0,0,0,0|2,1,1]=4 43 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,0,0,0,0,0|2,1,1]=4 44 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,0,0,0,0,0|2,1,1]=4 45 B12R2.612 c1cc2c(cc1F)[nH]nc2N TS40987 [0,0,0,0,0,0|1,1,0]=2 46 B12R2.612 c1cc2c(cc1F)[nH]nc2O TS41097 [0,0,0,0,0,0|0,1,0]=1 47 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,0,0,0,0,0|2,1,1]=4 48 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,0,0,0,0,0|2,1,1]=4 49 B12R2.612 c1cc2c(cc1I)[nH]nc2I TS66799 [0,0,0,0,0,0|1,1,0]=2 50 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,0,0,0,0,0|3,0,1]=4 51 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,0,0,0,0,0|2,0,2]=4 52 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,0,0,0,0,0|3,0,1]=4 53 B12R2.612 c1cc2c(cc1N)[nH]nc2Br TS21240 [0,0,0,0,0,0|2,0,0]=2 54 B12R2.612 c1cc2c(cc1N)[nH]nc2Cl TS12440 [0,0,0,0,0,0|2,0,0]=2 55 B12R2.612 c1cc2c(cc1N)[nH]nc2I TS90734 [0,0,0,0,0,0|2,0,0]=2 56 B12R2.612 c1cc2c(cc1N)[nH]nc2O TS07551 [0,0,0,0,0,0|1,0,0]=1 57 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,0,0,0,0,0|3,0,1]=4 58 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,0,0,0,0,0|3,0,1]=4 59 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,0,0,0,0,0|3,0,1]=4 60 B11R2.1 CC1CNc2c1cccc2 TS05845 [1,0,0,0,0,0|2,0,1]=4 61 B11R2.1 Cc1c2c([nH]n1)nccn2 TS89715 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.1 Cc1c2c(cccn2)[nH]n1 TS89959 [1,0,0,0,0,0|2,0,0]=3 63 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [1,0,0,0,0,0|1,0,0]=2 64 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [1,0,0,0,0,0|1,0,0]=2 65 B11R2.1 Cc1c2ccccc2on1 TS36752 [1,0,0,0,0,0|2,0,0]=3 66 B11R2.1 Cc1c2ccccn2cn1 TS36686 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [1,0,0,0,0,0|2,0,0]=3 68 B11R2.1 Cc1c2ccncc2[nH]n1 TS89013 [1,0,0,0,0,0|2,0,0]=3 69 B11R2.1 Cc1c2cnccc2[nH]n1 TS88623 [1,0,0,0,0,0|2,0,0]=3 70 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [1,0,0,0,0,0|2,0,0]=3 71 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.1 Cc1c[nH]c2c1nccc2 TS36677 [1,0,0,0,0,0|3,0,0]=4 73 B11R2.1 Cc1coc2c1cccc2 TS36667 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.1 Cc1csc2c1cccc2 TS07495 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.1 Cn1c2ccccc2cn1 TS36679 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.1 Cn1c2ccccc2nn1 TS01810 [1,0,0,0,0,0|2,0,1]=4 77 B11R2.1 c1cc2c([nH]nc2Br)nc1 TS91175 [1,0,0,0,0,0|2,0,0]=3 78 B11R2.1 c1cc2c([nH]nc2I)nc1 TS89610 [1,0,0,0,0,0|2,0,0]=3 79 B11R2.1 c1cc2c(c(c[nH]2)Br)nc1 TS18390 [1,0,0,0,0,0|3,0,0]=4 80 B11R2.1 c1cc2c(c(c[nH]2)Cl)nc1 TS10255 [1,0,0,0,0,0|3,0,0]=4 81 B11R2.1 c1cc2c(c(c[nH]2)I)nc1 TS61934 [1,0,0,0,0,0|3,0,0]=4 82 B11R2.1 c1cc2c(c(n[nH]2)Br)nc1 TS85728 [1,0,0,0,0,0|2,0,0]=3 83 B11R2.1 c1cc2c(c(n[nH]2)I)nc1 TS90025 [1,0,0,0,0,0|2,0,0]=3 84 B11R2.1 c1cc2c(c(n[nH]2)N)nc1 TS87172 [1,0,0,0,0,0|2,0,0]=3 85 B11R2.1 c1cc2c(c(no2)N)nc1 TS88315 [1,0,0,0,0,0|3,0,0]=4 86 B11R2.1 c1cc2c(c[nH]c2nc1)Br TS09471 [1,0,0,0,0,0|3,0,0]=4 87 B11R2.1 c1cc2c(c[nH]c2nc1)Cl TS41209 [1,0,0,0,0,0|3,0,0]=4 88 B11R2.1 c1cc2c(c[nH]c2nc1)I TS02807 [1,0,0,0,0,0|3,0,0]=4 89 B11R2.1 c1cc2c(c[nH]c2nc1)I TS85593 [1,0,0,0,0,0|3,0,0]=4 90 B11R2.1 c1cc2c(c[nH]c2nc1)N TS59907 [1,0,0,0,0,0|3,0,0]=4 91 B11R2.1 c1cc2c(c[nH]c2nc1)N TS65873 [1,0,0,0,0,0|3,0,0]=4 92 B11R2.1 c1cc2c(n[nH]c2nc1)N TS85316 [1,0,0,0,0,0|2,0,0]=3 93 B11R2.1 c1cc2c(nc1)n(nn2)O TS60133 [1,0,0,0,0,0|2,0,1]=4 94 B11R2.1 c1cc2c(noc2nc1)N TS05975 [1,0,0,0,0,0|3,0,0]=4 95 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [1,0,0,0,0,0|2,0,1]=4 96 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [1,0,0,0,0,0|3,0,0]=4 97 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [1,0,0,0,0,0|2,0,1]=4 98 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [1,0,0,0,0,0|2,0,1]=4 99 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [1,0,0,0,0,0|2,0,1]=4 100 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [1,0,0,0,0,0|2,0,1]=4 101 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [1,0,0,0,0,0|2,0,0]=3 102 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [1,0,0,0,0,0|2,0,1]=4 103 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [1,0,0,0,0,0|2,0,1]=4 104 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [1,0,0,0,0,0|1,0,2]=4 105 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [1,0,0,0,0,0|2,0,1]=4 106 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [1,0,0,0,0,0|2,0,0]=3 107 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [1,0,0,0,0,0|2,0,0]=3 108 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [1,0,0,0,0,0|2,0,0]=3 109 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [1,0,0,0,0,0|1,0,0]=2 110 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [1,0,0,0,0,0|3,0,0]=4 111 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [1,0,0,0,0,0|3,0,0]=4 112 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [1,0,0,0,0,0|3,0,0]=4 113 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [1,0,0,0,0,0|2,0,0]=3 114 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [1,0,0,0,0,0|1,0,0]=2 115 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [1,0,0,0,0,0|1,0,0]=2 116 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [1,0,0,0,0,0|1,0,0]=2 117 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [1,0,0,0,0,0|1,0,0]=2 118 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [1,0,0,0,0,0|0,0,0]=1 119 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [1,0,0,0,0,0|2,0,0]=3 120 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [1,0,0,0,0,0|2,0,0]=3 121 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [1,0,0,0,0,0|1,0,0]=2 122 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [1,0,0,0,0,0|2,0,0]=3 123 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [1,0,0,0,0,0|2,0,0]=3 124 B11R2.1 c1ccc2c(c1)nnn2N TS05886 [1,0,0,0,0,0|2,0,1]=4 125 B11R2.1 c1ccc2c(c1)nnn2O TS00446 [1,0,0,0,0,0|1,0,1]=3 126 B11R2.1 c1ccc2c(c1)nnn2O TS05979 [1,0,0,0,0,0|1,0,1]=3 127 B11R2.1 c1ccc2c(c1)nnn2O TS93163 [1,0,0,0,0,0|1,0,1]=3 128 B11R2.1 c1ccn2c(c1)nnc2Cl TS86275 [1,0,0,0,0,0|2,0,1]=4 129 B11R2.1 c1ccn2c(c1)nnc2S TS10064 [1,0,0,0,0,0|1,1,1]=4 130 B11R2.1 c1ccn2cnc(c2c1)Br TS18393 [1,0,0,0,0,0|3,0,0]=4 131 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [1,0,0,0,0,0|3,0,0]=4 132 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [1,0,0,0,0,0|3,0,0]=4 133 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [1,0,0,0,0,0|3,0,0]=4 134 B11R2.1 c1cncc2c1[nH]nc2Br TS88152 [1,0,0,0,0,0|2,0,0]=3 135 B11R2.1 c1cncc2c1[nH]nc2I TS92944 [1,0,0,0,0,0|2,0,0]=3 136 B11R2.1 c1cncc2c1c(c[nH]2)Br TS18399 [1,0,0,0,0,0|3,0,0]=4 137 B11R2.1 c1cncc2c1c(c[nH]2)I TS61932 [1,0,0,0,0,0|3,0,0]=4 138 B11R2.1 c1cncc2c1c(n[nH]2)Br TS86641 [1,0,0,0,0,0|2,0,0]=3 139 B11R2.1 c1cncc2c1c(n[nH]2)I TS90901 [1,0,0,0,0,0|2,0,0]=3 140 B11R2.36 Cc1cc2c(cc[nH]2)cn1 TS05742 [1,0,0,0,0,0|3,0,0]=4 141 B11R2.36 Cc1cc2c(cc[nH]2)nc1 TS86014 [1,0,0,0,0,0|3,0,0]=4 142 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,0,0,0|2,0,1]=4 143 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [1,0,0,0,0,0|3,0,0]=4 144 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [1,0,0,0,0,0|3,0,0]=4 145 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [1,0,0,0,0,0|2,0,1]=4 146 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [1,0,0,0,0,0|2,0,1]=4 147 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [1,0,0,0,0,0|2,0,0]=3 148 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [1,0,0,0,0,0|2,0,0]=3 149 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [1,0,0,0,0,0|1,0,0]=2 150 B11R2.36 Cc1ccc2cn[nH]c2n1 TS36760 [1,0,0,0,0,0|2,0,0]=3 151 B11R2.36 c1c(cnc2c1[nH]cn2)Cl TS10360 [1,0,0,0,0,0|3,0,0]=4 152 B11R2.36 c1c(cnc2c1[nH]nc2)Br TS87481 [1,0,0,0,0,0|1,1,0]=3 153 B11R2.36 c1c(cnc2c1[nH]nc2)Cl TS87873 [1,0,0,0,0,0|1,0,0]=2 154 B11R2.36 c1c2c(cnc1Br)cn[nH]2 TS91732 [1,0,0,0,0,0|1,1,0]=3 155 B11R2.36 c1c2c(cnc1Cl)cn[nH]2 TS89380 [1,0,0,0,0,0|1,0,0]=2 156 B11R2.36 c1c2cn[nH]c2cnc1Cl TS10364 [1,0,0,0,0,0|3,0,0]=4 157 B11R2.36 c1c2cn[nH]c2nc(n1)Cl TS88125 [1,0,0,0,0,0|2,0,0]=3 158 B11R2.36 c1c[nH]c2c1cnc(c2)Br TS85649 [1,0,0,0,0,0|2,1,0]=4 159 B11R2.36 c1c[nH]c2c1cnc(c2)Cl TS08425 [1,0,0,0,0,0|2,0,0]=3 160 B11R2.36 c1c[nH]c2c1cnc(c2)F TS36972 [1,0,0,0,0,0|2,1,0]=4 161 B11R2.36 c1c[nH]c2c1cnc(c2)N TS36763 [1,0,0,0,0,0|3,0,0]=4 162 B11R2.36 c1c[nH]c2c1ncc(c2)Br TS59728 [1,0,0,0,0,0|2,1,0]=4 163 B11R2.36 c1c[nH]c2c1ncc(c2)Cl TS10251 [1,0,0,0,0,0|2,0,0]=3 164 B11R2.36 c1c[nH]c2c1ncc(c2)F TS86780 [1,0,0,0,0,0|2,1,0]=4 165 B11R2.36 c1c[nH]c2c1ncc(c2)I TS85685 [1,0,0,0,0,0|2,1,0]=4 166 B11R2.36 c1c[nH]c2c1ncc(c2)N TS36757 [1,0,0,0,0,0|3,0,0]=4 167 B11R2.36 c1c[nH]c2c1ncc(n2)Cl TS10363 [1,0,0,0,0,0|3,0,0]=4 168 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [1,0,0,0,0,0|1,1,0]=3 169 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [1,0,0,0,0,0|1,0,0]=2 170 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [1,0,0,0,0,0|1,1,0]=3 171 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [1,0,0,0,0,0|2,0,0]=3 172 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [1,0,0,0,0,0|2,0,0]=3 173 B11R2.36 c1cc(nc2c1[nH]nc2)Cl TS71483 [1,0,0,0,0,0|3,0,0]=4 174 B11R2.36 c1cc(nc2c1cc[nH]2)Br TS55553 [1,0,0,0,0,0|2,1,0]=4 175 B11R2.36 c1cc(nc2c1cc[nH]2)Cl TS08430 [1,0,0,0,0,0|2,0,0]=3 176 B11R2.36 c1cc(nc2c1cc[nH]2)F TS36971 [1,0,0,0,0,0|2,1,0]=4 177 B11R2.36 c1cc(nc2c1cc[nH]2)I TS61939 [1,0,0,0,0,0|2,1,0]=4 178 B11R2.36 c1cc(nc2c1cc[nH]2)N TS00459 [1,0,0,0,0,0|3,0,0]=4 179 B11R2.36 c1cc(nc2c1cn[nH]2)Cl TS90848 [1,0,0,0,0,0|1,0,0]=2 180 B11R2.36 c1cc(nc2c1nc[nH]2)Cl TS03265 [1,0,0,0,0,0|3,0,0]=4 181 B11R2.36 c1cc2c(cc1Br)cn[nH]2 TS71464 [1,0,0,0,0,0|2,1,0]=4 182 B11R2.36 c1cc2c(cc1Br)nn[nH]2 TS03248 [1,0,0,0,0,0|1,1,1]=4 183 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [1,0,0,0,0,0|2,0,1]=4 184 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [1,0,0,0,0,0|3,0,0]=4 185 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [1,0,0,0,0,0|1,0,1]=3 186 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [1,0,0,0,0,0|1,0,1]=3 187 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [1,0,0,0,0,0|3,0,0]=4 188 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 TS41215 [1,0,0,0,0,0|2,0,0]=3 189 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 TS89463 [1,0,0,0,0,0|2,0,0]=3 190 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [1,0,0,0,0,0|2,0,1]=4 191 B11R2.36 c1cc2c(cc1Cl)ncs2 TS12735 [1,0,0,0,0,0|2,0,1]=4 192 B11R2.36 c1cc2c(cc1Cl)nn[nH]2 TS10359 [1,0,0,0,0,0|1,0,1]=3 193 B11R2.36 c1cc2c(cc1Cl)nsn2 TS45251 [1,0,0,0,0,0|2,0,1]=4 194 B11R2.36 c1cc2c(cc1Cl)scn2 TS12737 [1,0,0,0,0,0|3,0,0]=4 195 B11R2.36 c1cc2c(cc1Cl)snn2 TS45249 [1,0,0,0,0,0|2,0,0]=3 196 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [1,0,0,0,0,0|1,1,1]=4 197 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [1,0,0,0,0,0|2,1,0]=4 198 B11R2.36 c1cc2c(cc1F)nn[nH]2 TS60434 [1,0,0,0,0,0|1,1,1]=4 199 B11R2.36 c1cc2c(cc1I)cn[nH]2 TS03347 [1,0,0,0,0,0|2,1,0]=4 200 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [1,0,0,0,0,0|2,0,1]=4 201 B11R2.36 c1cc2c(cc1N)[nH]cn2 TS03240 [1,0,0,0,0,0|3,0,0]=4 202 B11R2.36 c1cc2c(cc1N)cn[nH]2 TS71375 [1,0,0,0,0,0|3,0,0]=4 203 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [1,0,0,0,0,0|3,0,0]=4 204 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [1,0,0,0,0,0|3,0,0]=4 205 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [1,0,0,0,0,0|3,0,0]=4 206 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [1,0,0,0,0,0|0,1,0]=2 207 B11R2.36 c1cc2cn[nH]c2cc1Cl TS10256 [1,0,0,0,0,0|0,0,0]=1 208 B11R2.36 c1cc2cn[nH]c2cc1F TS01222 [1,0,0,0,0,0|0,1,0]=2 209 B11R2.36 c1cc2cn[nH]c2cc1I TS01243 [1,0,0,0,0,0|0,1,0]=2 210 B11R2.36 c1cc2cn[nH]c2cc1N TS46953 [1,0,0,0,0,0|1,0,0]=2 211 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [1,0,0,0,0,0|1,0,0]=2 212 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [1,0,0,0,0,0|1,0,0]=2 213 B11R2.36 c1cn2ccnc2cc1Cl TS16505 [1,0,0,0,0,0|2,0,1]=4 214 B11R2.36 c1cn2cnnc2cc1Br TS87060 [1,0,0,0,0,0|1,1,1]=4 215 B13R2.662 COc1c2ccc(cc2[nH]n1)Br TS86517 [0,1,0,0,0,0|0,1,0]=2 216 B13R2.662 COc1c2ccc(cc2[nH]n1)N TS86486 [0,1,0,0,0,0|1,0,0]=2 217 B13R2.662 Cc1ccc2c(c1)[nH]cc2C#N TS41620 [0,1,0,0,0,0|3,0,0]=4 218 B13R2.662 Cc1ccc2c(c1)[nH]cc2C=O TS01265 [0,1,0,0,0,0|2,0,1]=4 219 B13R2.662 c1c2c(cnc1Cl)c(c[nH]2)C=O TS14683 [0,1,0,0,0,0|2,0,1]=4 220 B13R2.662 c1cc(nc2c1c(c[nH]2)C=O)Cl TS14685 [0,1,0,0,0,0|2,0,1]=4 221 B13R2.662 c1cc2c(cc1Br)[nH]cc2C=O TS50407 [0,1,0,0,0,0|1,1,1]=4 222 B13R2.662 c1cc2c(cc1Br)[nH]nc2C#N TS23383 [0,1,0,0,0,0|1,1,0]=3 223 B13R2.662 c1cc2c(cc1Br)[nH]nc2C=O TS33004 [0,1,0,0,0,0|0,1,1]=3 224 B13R2.662 c1cc2c(cc1Cl)[nH]cc2C#N TS32667 [0,1,0,0,0,0|2,0,0]=3 225 B13R2.662 c1cc2c(cc1Cl)[nH]cc2C=O TS08439 [0,1,0,0,0,0|1,0,1]=3 226 B13R2.662 c1cc2c(cc1Cl)[nH]nc2C#N TS46352 [0,1,0,0,0,0|1,0,0]=2 227 B13R2.662 c1cc2c(cc1Cl)onc2C#N TS14303 [0,1,0,0,0,0|2,0,0]=3 228 B13R2.662 c1cc2c(cc1F)[nH]cc2C=O TS11667 [0,1,0,0,0,0|1,1,1]=4 229 B13R2.662 c1cc2c(cc1F)[nH]nc2C#N TS42261 [0,1,0,0,0,0|1,1,0]=3 230 B13R2.662 c1cc2c(cc1F)[nH]nc2C=O TS42679 [0,1,0,0,0,0|0,1,1]=3 231 B13R2.662 c1cc2c(cc1N)[nH]nc2C=O TS88509 [0,1,0,0,0,0|1,0,1]=3 232 B13R2.2130 COc1ccc2c(c1)[nH]nc2Cl TS93733 [0,1,0,0,0,0|2,0,0]=3 233 B13R2.2130 Cc1c2ccc(cc2[nH]n1)OC TS11558 [0,1,0,0,0,0|2,0,0]=3 234 B13R2.2130 Cc1c2ccc(cc2on1)OC TS11696 [0,1,0,0,0,0|3,0,0]=4 235 B13R2.2130 c1cc2c(cc1C=O)[nH]nc2I TS87067 [0,1,0,0,0,0|2,0,0]=3 236 B13R2.5187 Cc1c2ccc(cc2n(n1)C)Br TS88174 [0,1,0,0,0,0|1,1,0]=3 237 B13R2.5187 Cc1c2ccc(cc2n(n1)C)N TS87912 [0,1,0,0,0,0|2,0,0]=3 238 B13R2.5187 Cn1c2c(ccc(n2)Cl)c(n1)N TS16487 [0,1,0,0,0,0|2,0,0]=3 239 B13R2.5187 Cn1c2cc(ccc2c(n1)Br)N TS90489 [0,1,0,0,0,0|2,0,0]=3 240 B13R2.5187 c1cc2c(cc1Cl)C(=O)NC2=O TS16664 [0,1,0,0,0,0|1,0,2]=4 241 B13R2.5187 c1cc2c(cc1Cl)C(=O)OC2=O TS09685 [0,1,0,0,0,0|2,0,1]=4 242 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O TS42283 [0,1,0,0,0,0|2,0,1]=4 243 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O TS93967 [0,1,0,0,0,0|1,1,1]=4 244 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O TS08441 [0,1,0,0,0,0|1,0,1]=3 245 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O TS85127 [0,1,0,0,0,0|1,1,1]=4 246 B13R2.11634 Cc1c2cc(c(cc2[nH]n1)F)Br TS88138 [0,1,0,0,0,0|1,1,0]=3 247 B13R2.11634 Cc1c[nH]c2c1cc(c(c2)Cl)F TS48477 [0,1,0,0,0,0|2,0,0]=3 248 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 TS19148 [0,1,0,0,0,0|2,0,1]=4 249 B13R2.11642 Cc1c2c(cc(cc2F)N)[nH]n1 TS88752 [0,1,0,0,0,0|2,0,0]=3 250 B13R2.11642 Cc1cc(=O)oc2c1c(n[nH]2)C TS11838 [0,1,0,0,0,0|3,0,0]=4 251 B13R2.11642 Cc1cc(nc2c1c(n[nH]2)N)C TS42463 [0,1,0,0,0,0|3,0,0]=4 252 B13R2.11642 c1c(cc(c2c1[nH]nc2Cl)F)N TS87362 [0,1,0,0,0,0|2,0,0]=3 253 B13R2.11642 c1c(cc(c2c1[nH]nc2O)Cl)Cl TS38373 [0,1,0,0,0,0|0,0,0]=1 254 B13R2.11642 c1c(cc(c2c1[nH]nc2O)Cl)N TS48474 [0,1,0,0,0,0|1,0,0]=2 255 B13R2.11642 c1c(cc(c2c1[nH]nc2O)F)N TS86989 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,0,1,0,0,0|2,0,0]=3 257 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,0,1,0,0,0|2,1,0]=4 258 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,0,1,0,0,0|2,0,1]=4 259 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,0,1,0,0,0|2,0,1]=4 260 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,0,1,0,0,0|3,0,0]=4 261 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,0,1,0,0,0|2,0,1]=4 262 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,0,1,0,0,0|2,0,1]=4 263 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,0,1,0,0,0|1,0,2]=4 264 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [0,0,1,0,0,0|2,1,0]=4 265 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [0,0,1,0,0,0|2,0,0]=3 266 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [0,0,1,0,0,0|2,1,0]=4 267 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [0,0,1,0,0,0|3,0,0]=4 268 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [0,0,1,0,0,0|3,0,0]=4 269 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [0,0,1,0,0,0|1,0,2]=4 270 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,0,1,0,0,0|2,0,1]=4 271 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,0,1,0,0,0|2,0,1]=4 272 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,0,1,0,0,0|2,0,1]=4 273 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,0,1,0,0,0|2,0,1]=4 274 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,0,1,0,0,0|1,1,1]=4 275 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,0,1,0,0,0|1,1,1]=4 276 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,0,1,0,0,0|2,0,1]=4 277 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,0,1,0,0,0|0,1,2]=4 278 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,0,1,0,0,0|0,0,2]=3 279 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,0,1,0,0,0|0,1,2]=4 280 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,0,1,0,0,0|1,0,2]=4 281 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,0,1,0,0,0|1,0,2]=4 282 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,0,1,0,0,0|2,0,1]=4 283 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,0,1,0,0,0|1,1,1]=4 284 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,0,1,0,0,0|1,0,1]=3 285 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,0,1,0,0,0|1,1,1]=4 286 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,0,1,0,0,0|2,0,1]=4 287 B11R1.22 c1cc(ccc1[C@H](C#N)O)Cl TS43273 [0,0,1,0,0,0|1,0,2]=4 288 B11R1.22 c1cc(ncc1C(=O)NN)Cl TS02149 [0,0,1,0,0,0|1,0,2]=4 289 B11R1.24 Cc1cccc(c1)NCCO TS41037 [0,0,1,0,0,0|2,0,1]=4 290 B11R1.24 c1cc(cc(c1)Cl)C#CCO TS12311 [0,0,1,0,0,0|2,0,1]=4 291 B11R1.24 c1cc(cc(c1)Cl)CN=C=S TS15205 [0,0,1,0,0,0|1,1,1]=4 292 B11R1.24 c1cc(cc(c1)Cl)OCCO TS45563 [0,0,1,0,0,0|2,0,1]=4 293 B11R1.37 COc1ccc(cc1NN)Cl TS07826 [0,0,1,0,0,0|2,0,1]=4 294 B11R1.166 B(c1ccc(cc1C)Cl)(O)O TS71021 [0,0,1,0,0,0|3,0,0]=4 295 B11R1.166 B(c1ccc(cc1F)Cl)(O)O TS03039 [0,0,1,0,0,0|3,0,0]=4 296 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,0,1,0,0,0|2,0,1]=4 297 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,0,1,0,0,0|2,0,1]=4 298 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,0,1,0,0,0|2,0,1]=4 299 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,0,1,0,0,0|2,0,1]=4 300 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,0,1,0,0,0|2,0,1]=4 301 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,0,1,0,0,0|3,0,0]=4 302 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,0,1,0,0,0|2,0,1]=4 303 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,0,1,0,0,0|2,1,0]=4 304 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,0,1,0,0,0|2,0,0]=3 305 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,0,1,0,0,0|2,1,0]=4 306 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,0,1,0,0,0|3,0,0]=4 307 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,0,1,0,0,0|3,0,0]=4 308 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,0,1,0,0,0|3,0,0]=4 309 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,0,1,0,0,0|3,0,0]=4 310 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,0,1,0,0,0|3,0,0]=4 311 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,0,1,0,0,0|3,0,0]=4 312 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,0,1,0,0,0|3,0,0]=4 313 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,0,1,0,0,0|1,0,2]=4 314 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,0,1,0,0,0|2,0,0]=3 315 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,0,1,0,0,0|3,0,0]=4 316 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,0,1,0,0,0|3,0,0]=4 317 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,0,1,0,0,0|3,0,0]=4 318 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,0,1,0,0,0|2,0,0]=3 319 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,0,1,0,0,0|2,1,0]=4 320 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,0,1,0,0,0|3,0,0]=4 321 B11R1.166 c1c(cnc(c1Cl)C(=N)N)Cl TS52410 [0,0,1,0,0,0|3,0,0]=4 322 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,0,1,0,0,0|3,0,0]=4 323 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,0,1,0,0,0|1,0,2]=4 324 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,0,1,0,0,0|2,1,0]=4 325 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,0,1,0,0,0|2,0,0]=3 326 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,0,1,0,0,0|2,0,0]=3 327 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,0,1,0,0,0|2,1,0]=4 328 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,0,1,0,0,0|2,1,0]=4 329 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,0,1,0,0,0|2,1,0]=4 330 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,0,1,0,0,0|2,1,0]=4 331 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,0,1,0,0,0|2,1,0]=4 332 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,0,1,0,0,0|1,1,0]=3 333 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,0,1,0,0,0|2,1,0]=4 334 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,0,1,0,0,0|2,1,0]=4 335 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,0,1,0,0,0|2,0,0]=3 336 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,0,1,0,0,0|2,0,0]=3 337 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,0,1,0,0,0|2,0,1]=4 338 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,0,1,0,0,0|1,0,2]=4 339 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,0,1,0,0,0|2,0,0]=3 340 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,0,1,0,0,0|1,1,1]=4 341 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,0,1,0,0,0|2,0,1]=4 342 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,0,1,0,0,0|2,0,0]=3 343 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,0,1,0,0,0|2,0,0]=3 344 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,0,1,0,0,0|1,0,0]=2 345 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] TS03255 [0,0,1,0,0,0|2,0,1]=4 346 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,0,1,0,0,0|2,0,0]=3 347 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,0,1,0,0,0|2,1,0]=4 348 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,0,1,0,0,0|2,1,0]=4 349 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,0,1,0,0,0|2,1,0]=4 350 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,0,1,0,0,0|2,1,0]=4 351 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,0,1,0,0,0|2,1,0]=4 352 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,0,1,0,0,0|1,1,0]=3 353 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,0,1,0,0,0|2,1,0]=4 354 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,0,1,0,0,0|2,1,0]=4 355 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,0,1,0,0,0|2,1,0]=4 356 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,0,1,0,0,0|2,1,0]=4 357 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,0,1,0,0,0|1,1,0]=3 358 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,0,1,0,0,0|2,1,0]=4 359 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,0,1,0,0,0|3,0,0]=4 360 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,0,1,0,0,0|3,0,0]=4 361 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,0,1,0,0,0|2,0,0]=3 362 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,0,1,0,0,0|3,0,0]=4 363 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,0,1,0,0,0|3,0,0]=4 364 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,0,1,0,0,0|3,0,0]=4 365 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,0,1,0,0,0|1,0,2]=4 366 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,0,1,0,0,0|3,0,0]=4 367 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,0,1,0,0,0|2,0,0]=3 368 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O TS11124 [0,0,0,0,0,1|3,0,0]=4 369 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N TS42056 [0,0,0,0,0,1|3,0,0]=4 370 B13R2.3683 Cc1ccc2c(c1)ncc(n2)O TS01060 [0,0,0,0,0,1|2,0,1]=4 371 B13R2.3683 Cc1ccc2cc(ccc2c1)O TS10991 [0,0,0,0,0,1|3,0,0]=4 372 B13R2.3683 Cc1ccc2cc(ccc2n1)Cl TS14103 [0,0,0,0,0,1|3,0,0]=4 373 B13R2.3683 c1c(cnc2c1NCC(=O)O2)Cl TS48648 [0,0,0,0,0,1|2,0,1]=4 374 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O TS33200 [0,0,0,0,0,1|2,1,0]=4 375 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)Cl TS53803 [0,0,0,0,0,1|3,0,0]=4 376 B13R2.3683 c1cc(cc2c1cc(cc2)O)O TS42138 [0,0,0,0,0,1|3,0,0]=4 377 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br TS87781 [0,0,0,0,0,1|2,1,0]=4 378 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br TS89312 [0,0,0,0,0,1|2,1,0]=4 379 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl TS32896 [0,0,0,0,0,1|3,0,0]=4 380 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N TS47632 [0,0,0,0,0,1|3,0,0]=4 381 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O TS02272 [0,0,0,0,0,1|2,0,0]=3 382 B13R2.3683 c1cc(nc2c1cc(cc2)I)O TS94279 [0,0,0,0,0,1|2,1,0]=4 383 B13R2.3683 c1cc2c(cc1Br)cnc(=O)[nH]2 TS55542 [0,0,0,0,0,1|1,1,1]=4 384 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl TS86670 [0,0,0,0,0,1|2,1,0]=4 385 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 TS32668 [0,0,0,0,0,1|2,0,1]=4 386 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 TS18904 [0,0,0,0,0,1|2,0,1]=4 387 B13R2.3683 c1cc2c(cc1Cl)ncc(=O)[nH]2 TS16488 [0,0,0,0,0,1|1,0,2]=4 388 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)Cl TS54147 [0,0,0,0,0,1|2,0,1]=4 389 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl TS14112 [0,0,0,0,0,1|3,0,0]=4 390 B13R2.5179 Cc1ccc2c(c1)ccnc2N TS41929 [0,0,0,0,0,1|3,0,0]=4 391 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl TS47641 [0,0,0,0,0,1|2,0,1]=4 392 B13R2.5179 c1cc(nc2c1c(ncn2)Cl)Cl TS89272 [0,0,0,0,0,1|2,0,1]=4 393 B13R2.5179 c1cc2c(cc1Br)cn[nH]c2=O TS32665 [0,0,0,0,0,1|1,1,1]=4 394 B13R2.5179 c1cc2c(cc1Br)cnnc2Cl TS86674 [0,0,0,0,0,1|1,1,1]=4 395 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl TS16493 [0,0,0,0,0,1|1,1,1]=4 396 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O TS48007 [0,0,0,0,0,1|2,0,1]=4 397 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O TS14848 [0,0,0,0,0,1|1,0,2]=4 398 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O TS55675 [0,0,0,0,0,1|2,0,1]=4 399 B13R2.5179 c1cc2c(cc1Cl)cn[nH]c2=O TS90513 [0,0,0,0,0,1|1,0,1]=3 400 B13R2.5179 c1cc2c(cc1Cl)cnnc2Cl TS87820 [0,0,0,0,0,1|1,0,1]=3 401 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl TS32619 [0,0,0,0,0,1|1,0,1]=3 402 B13R2.5179 c1cc2c(cc1F)ncnc2Cl TS09671 [0,0,0,0,0,1|1,1,1]=4 403 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl TS14473 [0,0,0,0,0,1|1,0,2]=4 404 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br TS55536 [0,0,0,0,0,1|2,1,0]=4 405 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl TS18560 [0,0,0,0,0,1|2,0,0]=3 406 B13R2.5179 c1cc2c(ccnc2N)cc1Br TS16470 [0,0,0,0,0,1|2,1,0]=4 407 B13R2.5179 c1cc2c(ccnc2N)cc1Cl TS47633 [0,0,0,0,0,1|2,0,0]=3 408 B13R2.5179 c1cc2c(ccnc2cc1Br)O TS16496 [0,0,0,0,0,1|1,1,1]=4 409 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br TS26917 [0,0,0,0,0,1|2,0,1]=4 410 B13R2.5179 c1cc2c(ccnc2cc1Cl)Cl TS60042 [0,0,0,0,0,1|2,0,1]=4 411 B13R2.5179 c1cc2c(ccnc2cc1Cl)N TS47635 [0,0,0,0,0,1|2,0,1]=4 412 B13R2.5179 c1cc2c(ccnc2cc1Cl)O TS39795 [0,0,0,0,0,1|1,0,1]=3 413 B13R2.5179 c1cc2c(ccnc2cc1F)O TS11665 [0,0,0,0,0,1|1,1,1]=4 414 B13R2.5179 c1cc2c(ccnc2cc1I)O TS71164 [0,0,0,0,0,1|1,1,1]=4 415 B13R2.5179 c1cc2cc(ccc2c(c1)O)N TS42041 [0,0,0,0,0,1|3,0,0]=4 416 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [0,0,0,0,0,1|3,0,0]=4 417 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,0,1,0,0,0|2,0,0]=4 418 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [1,0,1,0,0,0|1,0,0]=3 419 B10R1.1 c1cc(ccc1C=NO)F TS37276 [1,0,1,0,0,0|1,1,0]=4 420 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,0,1,0,0,0|1,0,1]=4 421 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,0,1,0,0,0|1,0,1]=4 422 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,0,1,0,0,0|0,0,2]=4 423 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [1,0,1,0,0,0|2,0,0]=4 424 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,0,1,0,0,0|2,0,0]=4 425 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,0,1,0,0,0|1,0,1]=4 426 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,0,1,0,0,0|1,0,1]=4 427 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,0,1,0,0,0|1,0,1]=4 428 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,0,1,0,0,0|1,0,1]=4 429 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,0,1,0,0,0|1,0,1]=4 430 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,0,1,0,0,0|1,0,1]=4 431 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,0,1,0,0,0|1,0,1]=4 432 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,0,1,0,0,0|2,0,0]=4 433 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,0,1,0,0,0|1,0,1]=4 434 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,0,1,0,0,0|2,0,0]=4 435 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,0,1,0,0,0|1,1,0]=4 436 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,0,1,0,0,0|1,1,0]=4 437 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,0,1,0,0,0|1,1,0]=4 438 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,0,1,0,0,0|1,0,0]=3 439 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,0,1,0,0,0|1,0,0]=3 440 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,0,1,0,0,0|1,0,0]=3 441 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,0,1,0,0,0|1,1,0]=4 442 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,0,1,0,0,0|1,1,0]=4 443 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,0,1,0,0,0|2,0,0]=4 444 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,0,1,0,0,0|2,0,0]=4 445 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,0,1,0,0,0|2,0,0]=4 446 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,0,1,0,0,0|1,0,1]=4 447 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,0,1,0,0,0|0,1,1]=4 448 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,0,1,0,0,0|0,0,1]=3 449 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,0,1,0,0,0|0,1,1]=4 450 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,0,1,0,0,0|0,1,1]=4 451 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,0,1,0,0,0|1,0,1]=4 452 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,0,1,0,0,0|1,0,1]=4 453 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,0,1,0,0,0|1,1,0]=4 454 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,0,1,0,0,0|1,0,0]=3 455 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,0,1,0,0,0|1,1,0]=4 456 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,0,1,0,0,0|1,1,0]=4 457 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,0,1,0,0,0|2,0,0]=4 458 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,0,1,0,0,0|2,0,0]=4 459 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,0,1,0,0,0|2,0,0]=4 460 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,0,1,0,0,0|2,0,0]=4 461 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,0,1,0,0,0|1,0,1]=4 462 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,0,1,0,0,0|0,2,0]=4 463 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,0,1,0,0,0|0,1,0]=3 464 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,0,1,0,0,0|0,2,0]=4 465 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,0,1,0,0,0|1,1,0]=4 466 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,0,1,0,0,0|1,1,0]=4 467 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,0,1,0,0,0|2,0,0]=4 468 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,0,1,0,0,0|1,0,1]=4 469 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,0,1,0,0,0|2,0,0]=4 470 B10R1.13 c1cc(ncc1Cl)C(=N)N TS87123 [1,0,1,0,0,0|2,0,0]=4 471 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,0,1,0,0,0|2,0,0]=4 472 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,0,1,0,0,0|1,0,0]=3 473 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,0,1,0,0,0|2,0,0]=4 474 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [1,0,1,0,0,0|1,0,0]=3 475 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [1,0,1,0,0,0|2,0,0]=4 476 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,0,1,0,0,0|1,0,1]=4 477 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [1,0,1,0,0,0|0,0,2]=4 478 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,0,1,0,0,0|1,0,1]=4 479 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,0,1,0,0,0|1,0,1]=4 480 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,0,1,0,0,0|1,0,1]=4 481 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,0,1,0,0,0|1,0,1]=4 482 B10R1.10 Cc1cccc(c1)NC=O TS36924 [1,0,1,0,0,0|1,0,1]=4 483 B10R1.10 c1cc(cc(c1)Br)C=NO TS18932 [1,0,1,0,0,0|1,1,0]=4 484 B10R1.10 c1cc(cc(c1)Cl)C=NO TS16733 [1,0,1,0,0,0|1,0,0]=3 485 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,0,1,0,0,0|1,0,1]=4 486 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,0,1,0,0,0|1,0,1]=4 487 B10R1.10 c1cc(cc(c1)Cl)N=C=O TS10357 [1,0,1,0,0,0|0,0,2]=4 488 B10R1.10 c1cc(cc(c1)Cl)N=C=S TS12739 [1,0,1,0,0,0|0,1,1]=4 489 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [1,0,1,0,0,0|1,1,0]=4 490 B10R1.17 C=CCNc1ccccc1 TS05848 [1,0,1,0,0,0|2,0,0]=4 491 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,0,1,0,0,0|1,0,1]=4 492 B10R1.17 c1ccc(cc1)NNC=O TS06048 [1,0,1,0,0,0|0,0,2]=4 493 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,0,1,0,0,0|2,0,0]=4 494 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,0,1,0,0,0|2,0,0]=4 495 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,0,1,0,0,0|2,0,0]=4 496 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [1,0,1,0,0,0|1,0,1]=4 497 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [1,0,1,0,0,0|1,0,1]=4 498 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,0,1,0,0,0|1,0,1]=4 499 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [1,0,1,0,0,0|1,0,1]=4 500 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,0,1,0,0,0|1,0,1]=4 501 B10R1.25 c1cc(c(cc1Cl)N)C#N TS41211 [1,0,1,0,0,0|0,0,2]=4 502 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,0,1,0,0,0|1,0,1]=4 503 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,0,1,0,0,0|2,0,0]=4 504 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [1,0,1,0,0,0|1,0,1]=4 505 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [1,0,1,0,0,0|2,0,0]=4 506 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,0,1,0,0,0|1,0,1]=4 507 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,0,1,0,0,0|2,0,0]=4 508 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [1,0,1,0,0,0|1,0,1]=4 509 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [1,0,1,0,0,0|1,0,1]=4 510 B10R1.61 B(c1ccccc1N)(O)O TS45687 [1,0,1,0,0,0|2,0,0]=4 511 B10R1.61 B(c1ccccc1N)(O)O TS94617 [1,0,1,0,0,0|2,0,0]=4 512 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,0,1,0,0,0|2,0,0]=4 513 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,0,1,0,0,0|2,0,0]=4 514 B10R1.61 Cc1ccccc1C(=O)O TS01622 [1,0,1,0,0,0|2,0,0]=4 515 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,0,1,0,0,0|2,0,0]=4 516 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [1,0,1,0,0,0|2,0,0]=4 517 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [1,0,1,0,0,0|2,0,0]=4 518 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,0,1,0,0,0|2,0,0]=4 519 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,0,1,0,0,0|0,0,2]=4 520 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [1,0,1,0,0,0|2,0,0]=4 521 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,0,1,0,0,0|2,0,0]=4 522 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [1,0,1,0,0,0|2,0,0]=4 523 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [1,0,1,0,0,0|1,0,0]=3 524 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,0,1,0,0,0|2,0,0]=4 525 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,0,1,0,0,0|2,0,0]=4 526 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,0,1,0,0,0|2,0,0]=4 527 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [1,0,1,0,0,0|2,0,0]=4 528 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [1,0,1,0,0,0|1,0,1]=4 529 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [1,0,1,0,0,0|1,0,1]=4 530 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,0,1,0,0,0|0,1,1]=4 531 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,0,1,0,0,0|2,0,0]=4 532 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,0,1,0,0,0|2,0,0]=4 533 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,0,1,0,0,0|2,0,0]=4 534 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [1,0,1,0,0,0|2,0,0]=4 535 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [1,0,1,0,0,0|2,0,0]=4 536 B10R2.7 c1c2cn[nH]c2ncn1 TS32418 [2,0,0,0,0,0|2,0,0]=4 537 B10R2.7 c1c[nH]c2c1ccnc2 TS01216 [2,0,0,0,0,0|2,0,0]=4 538 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [2,0,0,0,0,0|2,0,0]=4 539 B10R2.7 c1cc2c(cc[nH]2)nc1 TS70929 [2,0,0,0,0,0|2,0,0]=4 540 B10R2.7 c1cc2c(cn[nH]2)nc1 TS39228 [2,0,0,0,0,0|1,0,0]=3 541 B10R2.7 c1cc2c(nc1)nn[nH]2 TS32417 [2,0,0,0,0,0|2,0,0]=4 542 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [2,0,0,0,0,0|2,0,0]=4 543 B10R2.7 c1cc2cn[nH]c2nc1 TS04782 [2,0,0,0,0,0|1,0,0]=3 544 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [2,0,0,0,0,0|2,0,0]=4 545 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [2,0,0,0,0,0|2,0,0]=4 546 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [2,0,0,0,0,0|1,0,1]=4 547 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [2,0,0,0,0,0|0,0,2]=4 548 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [2,0,0,0,0,0|2,0,0]=4 549 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [2,0,0,0,0,0|2,0,0]=4 550 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [2,0,0,0,0,0|1,0,0]=3 551 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [2,0,0,0,0,0|1,0,0]=3 552 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [2,0,0,0,0,0|2,0,0]=4 553 B10R2.7 c1ccc2c(c1)cco2 TS39813 [2,0,0,0,0,0|2,0,0]=4 554 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [2,0,0,0,0,0|2,0,0]=4 555 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [2,0,0,0,0,0|0,0,0]=2 556 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [2,0,0,0,0,0|0,0,0]=2 557 B10R2.7 c1ccc2c(c1)cno2 TS32395 [2,0,0,0,0,0|1,0,0]=3 558 B10R2.7 c1ccc2c(c1)cns2 TS06001 [2,0,0,0,0,0|1,0,0]=3 559 B10R2.7 c1ccc2c(c1)con2 TS32394 [2,0,0,0,0,0|1,0,1]=4 560 B10R2.7 c1ccc2c(c1)nns2 TS37006 [2,0,0,0,0,0|1,0,1]=4 561 B10R2.7 c1ccn2cncc2c1 TS01484 [2,0,0,0,0,0|2,0,0]=4 562 B10R2.7 c1cncc2c1[nH]nc2 TS88164 [2,0,0,0,0,0|1,0,0]=3 563 B10R2.7 c1cncc2c1cn[nH]2 TS00456 [2,0,0,0,0,0|1,0,0]=3 564 B12R1.16 c1cc(ccc1C(=O)N=C=S)Cl TS18511 [0,1,1,0,0,0|1,0,1]=4 565 B12R1.20 CC(C(c1ccc(cc1)Cl)O)N TS65020 [0,1,1,0,0,0|1,0,1]=4 566 B12R1.367 CC(=NO)c1ccc(c(c1)Cl)Cl TS19675 [0,1,1,0,0,0|2,0,0]=4 567 B12R1.367 c1cc(c(cc1C(=O)CN)Cl)Cl TS26602 [0,1,1,0,0,0|1,0,1]=4 568 B12R1.367 c1cc(c(cc1C(=O)NN)Br)Cl TS27947 [0,1,1,0,0,0|0,0,2]=4 569 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Cl TS38742 [0,1,1,0,0,0|0,0,2]=4 570 B12R1.1703 CC(=NO)c1ccc(cc1Cl)Cl TS19674 [0,1,1,0,0,0|2,0,0]=4 571 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=NO)Cl TS23901 [0,1,1,0,0,0|2,0,0]=4 572 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,1,1,0,0,0|1,0,1]=4 573 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,1,1,0,0,0|1,0,1]=4 574 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,1,1,0,0,0|0,0,2]=4 575 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [0,1,1,0,0,0|2,0,0]=4 576 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O TS00145 [0,1,1,0,0,0|2,0,0]=4 577 B12R1.57 COc1cc(ccc1C(=O)O)Cl TS01848 [0,1,1,0,0,0|2,0,0]=4 578 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,1,1,0,0,0|1,0,0]=3 579 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O TS65026 [0,1,1,0,0,0|1,1,0]=4 580 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,1,1,0,0,0|2,0,0]=4 581 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,1,1,0,0,0|1,1,0]=4 582 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,1,1,0,0,0|2,0,0]=4 583 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,1,1,0,0,0|2,0,0]=4 584 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,1,1,0,0,0|2,0,0]=4 585 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,1,1,0,0,0|2,0,0]=4 586 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O TS02906 [0,1,1,0,0,0|1,1,0]=4 587 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,1,1,0,0,0|2,0,0]=4 588 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [0,1,1,0,0,0|2,0,0]=4 589 B12R1.893 Cc1ccc(c(c1Br)N)C(=O)O TS22757 [0,1,1,0,0,0|2,0,0]=4 590 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,1,1,0,0,0|2,0,0]=4 591 B12R1.893 Cc1ccc(c(c1I)N)C(=O)O TS47367 [0,1,1,0,0,0|2,0,0]=4 592 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,1,1,0,0,0|2,0,0]=4 593 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,1,1,0,0,0|2,0,0]=4 594 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl TS00592 [0,1,1,0,0,0|2,0,0]=4 595 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl TS38922 [0,1,1,0,0,0|1,0,0]=3 596 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F TS32777 [0,1,1,0,0,0|1,1,0]=4 597 B12R2.1 C#Cc1c[nH]c2c1cccc2 TS37492 [1,1,0,0,0,0|2,0,0]=4 598 B12R2.1 CCc1c[nH]c2c1cccc2 TS40329 [1,1,0,0,0,0|2,0,0]=4 599 B12R2.1 COc1c2ccccc2[nH]n1 TS91723 [1,1,0,0,0,0|0,0,0]=2 600 B12R2.1 c1cc2c(c[nH]c2nc1)CO TS88605 [1,1,0,0,0,0|2,0,0]=4 601 B12R2.1 c1cc2c(n[nH]c2nc1)C#N TS89357 [1,1,0,0,0,0|2,0,0]=4 602 B12R2.1 c1cc2c(n[nH]c2nc1)C=O TS87455 [1,1,0,0,0,0|1,0,1]=4 603 B12R2.1 c1cc2c(n[nH]c2nc1)CN TS85818 [1,1,0,0,0,0|2,0,0]=4 604 B12R2.1 c1ccc2c(c1)CCC2=NO TS40528 [1,1,0,0,0,0|2,0,0]=4 605 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N TS01791 [1,1,0,0,0,0|2,0,0]=4 606 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O TS01491 [1,1,0,0,0,0|1,0,1]=4 607 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN TS46493 [1,1,0,0,0,0|2,0,0]=4 608 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS09190 [1,1,0,0,0,0|1,0,0]=3 609 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS42902 [1,1,0,0,0,0|1,0,0]=3 610 B12R2.1 c1ccc2c(c1)c(cs2)CO TS11910 [1,1,0,0,0,0|2,0,0]=4 611 B12R2.1 c1ccc2c(c1)c(n[nH]2)C#N TS06838 [1,1,0,0,0,0|1,0,0]=3 612 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O TS07202 [1,1,0,0,0,0|0,0,1]=3 613 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS15193 [1,1,0,0,0,0|1,0,0]=3 614 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS88235 [1,1,0,0,0,0|1,0,0]=3 615 B12R2.1 c1ccc2c(c1)c(n[nH]2)CO TS40622 [1,1,0,0,0,0|0,0,0]=2 616 B12R2.1 c1ccc2c(c1)c(no2)CBr TS21235 [1,1,0,0,0,0|2,0,0]=4 617 B12R2.1 c1ccc2c(c1)nnn2CO TS07547 [1,1,0,0,0,0|1,0,1]=4 618 B12R2.1 c1cncc2c1c(n[nH]2)C#N TS86390 [1,1,0,0,0,0|2,0,0]=4 619 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [1,1,0,0,0,0|2,0,0]=4 620 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [1,1,0,0,0,0|2,0,0]=4 621 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [1,1,0,0,0,0|1,0,1]=4 622 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS16992 [1,1,0,0,0,0|1,0,0]=3 623 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS85407 [1,1,0,0,0,0|1,0,0]=3 624 B12R2.132 Cc1c2cc(ccc2[nH]n1)N TS40549 [1,1,0,0,0,0|1,0,0]=3 625 B12R2.132 Cc1c2cc(ccc2[nH]n1)O TS07432 [1,1,0,0,0,0|1,0,0]=3 626 B12R2.132 Cc1c2cc(ccc2sn1)N TS11920 [1,1,0,0,0,0|2,0,0]=4 627 B12R2.132 Cc1c2cc(cnc2[nH]n1)Br TS21241 [1,1,0,0,0,0|2,0,0]=4 628 B12R2.132 Cc1c2cc(cnc2[nH]n1)N TS89716 [1,1,0,0,0,0|2,0,0]=4 629 B12R2.132 Cc1c2cc(ncc2[nH]n1)Br TS60076 [1,1,0,0,0,0|2,0,0]=4 630 B12R2.132 Cc1c[nH]c2c1cc(cc2)Cl TS12106 [1,1,0,0,0,0|2,0,0]=4 631 B12R2.132 Cc1c[nH]c2c1cc(cc2)F TS03313 [1,1,0,0,0,0|2,0,0]=4 632 B12R2.132 Cc1ccc2c(c1)c(n[nH]2)Br TS21069 [1,1,0,0,0,0|1,0,0]=3 633 B12R2.132 Cc1ccc2c(c1)c(n[nH]2)O TS40625 [1,1,0,0,0,0|0,0,0]=2 634 B12R2.132 Cc1ccc2c(c1)c(no2)C TS07348 [1,1,0,0,0,0|2,0,0]=4 635 B12R2.132 c1c(cnc2c1c(n[nH]2)Br)N TS90935 [1,1,0,0,0,0|2,0,0]=4 636 B12R2.132 c1c(cnc2c1c(n[nH]2)I)Br TS85690 [1,1,0,0,0,0|2,0,0]=4 637 B12R2.132 c1c(cnc2c1c(n[nH]2)I)F TS88373 [1,1,0,0,0,0|2,0,0]=4 638 B12R2.132 c1c(cnc2c1c(n[nH]2)I)N TS87847 [1,1,0,0,0,0|2,0,0]=4 639 B12R2.132 c1c(cnc2c1c(n[nH]2)N)Br TS88517 [1,1,0,0,0,0|2,0,0]=4 640 B12R2.132 c1c(cnc2c1c(n[nH]2)N)F TS88329 [1,1,0,0,0,0|2,0,0]=4 641 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 TS21234 [1,1,0,0,0,0|1,0,1]=4 642 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)Br TS33658 [1,1,0,0,0,0|2,0,0]=4 643 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)N TS02063 [1,1,0,0,0,0|2,0,0]=4 644 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)Br TS02565 [1,1,0,0,0,0|1,0,0]=3 645 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)Cl TS25113 [1,1,0,0,0,0|1,0,0]=3 646 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)I TS16989 [1,1,0,0,0,0|1,0,0]=3 647 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N TS32653 [1,1,0,0,0,0|1,0,0]=3 648 B12R2.132 c1cc2c(cc1Br)c(no2)N TS71454 [1,1,0,0,0,0|2,0,0]=4 649 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Br TS24973 [1,1,0,0,0,0|2,0,0]=4 650 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)I TS03268 [1,1,0,0,0,0|1,0,0]=3 651 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)O TS44939 [1,1,0,0,0,0|0,0,0]=2 652 B12R2.132 c1cc2c(cc1Cl)n(nn2)O TS45044 [1,1,0,0,0,0|1,0,1]=4 653 B12R2.132 c1cc2c(cc1F)c(n[nH]2)I TS03312 [1,1,0,0,0,0|1,0,0]=3 654 B12R2.132 c1cc2c(cc1F)c(no2)N TS03317 [1,1,0,0,0,0|2,0,0]=4 655 B12R2.132 c1cc2c(cc1I)c(n[nH]2)I TS66800 [1,1,0,0,0,0|1,0,0]=3 656 B12R2.132 c1cc2c(cc1I)c(n[nH]2)O TS29411 [1,1,0,0,0,0|0,0,0]=2 657 B12R2.132 c1cc2c(cc1N)c(n[nH]2)Br TS21246 [1,1,0,0,0,0|1,0,0]=3 658 B12R2.132 c1cc2c(cc1N)c(n[nH]2)Cl TS12442 [1,1,0,0,0,0|1,0,0]=3 659 B12R2.132 c1cc2c(cc1N)c(n[nH]2)I TS29298 [1,1,0,0,0,0|1,0,0]=3 660 B12R2.132 c1cc2c(cc1N)c(n[nH]2)O TS16777 [1,1,0,0,0,0|0,0,0]=2 661 B12R2.132 c1cc2c(cc1O)c(n[nH]2)O TS40823 [1,1,0,0,0,0|0,0,0]=2 662 B12R2.196 Cc1c2cccc(c2[nH]n1)Br TS90467 [1,1,0,0,0,0|1,0,0]=3 663 B12R2.196 Cc1c2cccc(c2[nH]n1)O TS40613 [1,1,0,0,0,0|1,0,0]=3 664 B12R2.196 Cc1cccc2c1[nH]cc2Br TS20830 [1,1,0,0,0,0|2,0,0]=4 665 B12R2.196 Cc1cccc2c1[nH]nc2I TS68077 [1,1,0,0,0,0|1,0,0]=3 666 B12R2.196 Cc1cccc2c1onc2O TS40720 [1,1,0,0,0,0|1,0,0]=3 667 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2Cl TS46954 [1,1,0,0,0,0|1,0,0]=3 668 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2I TS90827 [1,1,0,0,0,0|1,0,0]=3 669 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2N TS87501 [1,1,0,0,0,0|1,0,0]=3 670 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2O TS44290 [1,1,0,0,0,0|0,0,0]=2 671 B12R2.196 c1cc2c(c(c1)Cl)[nH]nc2O TS44942 [1,1,0,0,0,0|0,0,0]=2 672 B12R2.196 c1cc2c(c(c1)N)[nH]nc2Br TS90830 [1,1,0,0,0,0|1,0,0]=3 673 B12R2.196 c1cc2c(c(c1)N)[nH]nc2Cl TS87097 [1,1,0,0,0,0|1,0,0]=3 674 B12R2.196 c1cc2c(c(c1)N)[nH]nc2I TS88087 [1,1,0,0,0,0|1,0,0]=3 675 B12R2.196 c1cc2c(c[nH]c2c(c1)Cl)Br TS24974 [1,1,0,0,0,0|2,0,0]=4 676 B12R2.196 c1cc2c(c[nH]c2c(c1)N)Cl TS19516 [1,1,0,0,0,0|2,0,0]=4 677 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 TS88903 [1,1,0,0,0,0|1,0,0]=3 678 B12R2.203 Cc1c2c(cncc2Br)[nH]n1 TS88349 [1,1,0,0,0,0|2,0,0]=4 679 B12R2.203 Cc1cccc2c1c(n[nH]2)O TS40614 [1,1,0,0,0,0|0,0,0]=2 680 B12R2.203 c1cc(c2c(c1)[nH]nc2Cl)N TS88543 [1,1,0,0,0,0|1,0,0]=3 681 B12R2.203 c1cc(c2c(c1)[nH]nc2I)N TS87709 [1,1,0,0,0,0|1,0,0]=3 682 B12R2.203 c1cc2c(c(c1)Br)c(=O)[nH][nH]2 TS87842 [1,1,0,0,0,0|0,0,2]=4 683 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)Cl TS90377 [1,1,0,0,0,0|1,0,0]=3 684 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)I TS61743 [1,1,0,0,0,0|1,0,0]=3 685 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)N TS86276 [1,1,0,0,0,0|1,0,0]=3 686 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I TS34052 [1,1,0,0,0,0|1,0,0]=3 687 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N TS32629 [1,1,0,0,0,0|1,0,0]=3 688 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)I TS29734 [1,1,0,0,0,0|1,0,0]=3 689 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)O TS41095 [1,1,0,0,0,0|0,0,0]=2 690 B12R2.203 c1cc2c(c(c1)I)c(n[nH]2)N TS87323 [1,1,0,0,0,0|1,0,0]=3 691 B12R2.203 c1cnc(c2c1[nH]nc2I)Cl TS86814 [1,1,0,0,0,0|2,0,0]=4 692 B12R2.203 c1cnc(c2c1[nH]nc2I)N TS93351 [1,1,0,0,0,0|2,0,0]=4 693 B12R2.203 c1cnc2c(c1Cl)c(n[nH]2)I TS91743 [1,1,0,0,0,0|2,0,0]=4 694 B12R2.2028 Cn1c2c(cccn2)c(n1)N TS00479 [1,1,0,0,0,0|2,0,0]=4 695 B12R2.2028 Cn1c2ccccc2c(n1)Br TS87833 [1,1,0,0,0,0|1,0,0]=3 696 B12R2.2028 Cn1c2ccccc2c(n1)I TS90863 [1,1,0,0,0,0|1,0,0]=3 697 B12R2.44 C#Cc1ccc2cn[nH]c2c1 TS88254 [1,1,0,0,0,0|1,0,0]=3 698 B12R2.44 CCc1ccc2cc[nH]c2c1 TS60097 [1,1,0,0,0,0|2,0,0]=4 699 B12R2.44 COc1ccc2cc[nH]c2c1 TS55616 [1,1,0,0,0,0|2,0,0]=4 700 B12R2.44 COc1ccc2cn[nH]c2c1 TS01249 [1,1,0,0,0,0|1,0,0]=3 701 B12R2.44 c1cc(cc2c1cc[nH]2)C#N TS55593 [1,1,0,0,0,0|2,0,0]=4 702 B12R2.44 c1cc(cc2c1cc[nH]2)C=O TS77184 [1,1,0,0,0,0|2,0,0]=4 703 B12R2.44 c1cc(cc2c1cc[nH]2)CN TS40433 [1,1,0,0,0,0|2,0,0]=4 704 B12R2.44 c1cc(cc2c1cc[nH]2)CO TS07327 [1,1,0,0,0,0|2,0,0]=4 705 B12R2.44 c1cc2cn[nH]c2cc1C#N TS46960 [1,1,0,0,0,0|1,0,0]=3 706 B12R2.44 c1cc2cn[nH]c2cc1C=O TS07200 [1,1,0,0,0,0|1,0,0]=3 707 B12R2.44 c1cc2cn[nH]c2cc1CN TS87404 [1,1,0,0,0,0|1,0,0]=3 708 B12R2.44 c1cc2cn[nH]c2cc1CO TS86005 [1,1,0,0,0,0|1,0,0]=3 709 B12R2.82 c1cc(c(c2c1cc[nH]2)Cl)Cl TS85799 [1,1,0,0,0,0|1,0,0]=3 710 B12R2.100 Cc1cc2c(cc1C)nn[nH]2 TS12038 [1,1,0,0,0,0|2,0,0]=4 711 B12R2.100 c1c2c(cc(c1Cl)Cl)nc[nH]2 TS49011 [1,1,0,0,0,0|2,0,0]=4 712 B12R2.100 c1c2c(cc(c1Cl)F)nn[nH]2 TS13064 [1,1,0,0,0,0|1,0,0]=3 713 B12R2.100 c1c2cn[nH]c2cc(c1Br)F TS21811 [1,1,0,0,0,0|0,1,0]=3 714 B12R2.100 c1c2cn[nH]c2cc(c1Cl)Cl TS87109 [1,1,0,0,0,0|0,0,0]=2 715 B12R2.100 c1c2cn[nH]c2cc(c1F)Br TS85923 [1,1,0,0,0,0|0,1,0]=3 716 B12R2.100 c1c2cn[nH]c2cc(c1F)Cl TS91319 [1,1,0,0,0,0|0,0,0]=2 717 B12R2.100 c1c2cn[nH]c2cc(c1N)F TS94433 [1,1,0,0,0,0|0,1,0]=3 718 B12R2.100 c1c2cn[nH]c2cc(c1O)Br TS87549 [1,1,0,0,0,0|0,1,0]=3 719 B12R2.100 c1c2cn[nH]c2cc(c1O)Cl TS92535 [1,1,0,0,0,0|0,0,0]=2 720 B12R2.100 c1c[nH]c2c1cc(c(c2)Br)F TS87437 [1,1,0,0,0,0|1,1,0]=4 721 B12R2.100 c1c[nH]c2c1cc(c(c2)Br)O TS90128 [1,1,0,0,0,0|1,1,0]=4 722 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)Cl TS88784 [1,1,0,0,0,0|1,0,0]=3 723 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)F TS08427 [1,1,0,0,0,0|1,0,0]=3 724 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)O TS88336 [1,1,0,0,0,0|1,0,0]=3 725 B12R2.100 c1c[nH]c2c1cc(c(c2)F)Br TS87471 [1,1,0,0,0,0|1,1,0]=4 726 B12R2.100 c1c[nH]c2c1cc(c(c2)F)Cl TS45048 [1,1,0,0,0,0|1,1,0]=4 727 B12R2.100 c1c[nH]c2c1cc(c(c2)F)F TS71338 [1,1,0,0,0,0|1,1,0]=4 728 B12R2.100 c1c[nH]c2c1cc(c(c2)F)O TS40979 [1,1,0,0,0,0|1,1,0]=4 729 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O TS71344 [1,1,0,0,0,0|2,0,0]=4 730 B12R2.246 CN1C=C(C=C2C1=CCN2)Cl TS12319 [1,1,0,0,0,0|2,0,0]=4 731 B12R2.246 Cc1cc(c2cc[nH]c2c1)C TS07120 [1,1,0,0,0,0|2,0,0]=4 732 B12R2.246 Cc1cc(c2cn[nH]c2c1)C TS40431 [1,1,0,0,0,0|1,0,0]=3 733 B12R2.246 Cc1cc(c2cn[nH]c2c1)N TS40543 [1,1,0,0,0,0|1,0,0]=3 734 B12R2.246 Cc1cc(cc2c1cc[nH]2)N TS40449 [1,1,0,0,0,0|2,0,0]=4 735 B12R2.246 Cc1cc(cc2c1cn[nH]2)F TS09851 [1,1,0,0,0,0|0,1,0]=3 736 B12R2.246 Cc1cc2c(cc[nH]2)c(c1)O TS07345 [1,1,0,0,0,0|2,0,0]=4 737 B12R2.246 Cc1cc2c(cn[nH]2)c(c1)O TS40627 [1,1,0,0,0,0|1,0,0]=3 738 B12R2.246 c1c(cc(c2c1NCC2)Cl)Cl TS70826 [1,1,0,0,0,0|1,0,1]=4 739 B12R2.246 c1c(cc(c2c1[nH]nc2)Br)Br TS33755 [1,1,0,0,0,0|0,1,0]=3 740 B12R2.246 c1c(cc(c2c1[nH]nc2)Br)N TS86126 [1,1,0,0,0,0|1,0,0]=3 741 B12R2.246 c1c(cc(c2c1[nH]nc2)Br)O TS85613 [1,1,0,0,0,0|1,0,0]=3 742 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)Br TS88507 [1,1,0,0,0,0|0,1,0]=3 743 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)N TS12436 [1,1,0,0,0,0|1,0,0]=3 744 B12R2.246 c1c(cc(c2c1[nH]nc2)F)N TS91145 [1,1,0,0,0,0|1,0,0]=3 745 B12R2.246 c1c(cc(c2c1[nH]nc2)I)N TS85614 [1,1,0,0,0,0|1,0,0]=3 746 B12R2.246 c1c(cc(c2c1[nH]nc2)O)Br TS86127 [1,1,0,0,0,0|0,1,0]=3 747 B12R2.246 c1c(cc2c(c1N)cn[nH]2)Br TS89939 [1,1,0,0,0,0|0,1,0]=3 748 B12R2.246 c1c(cc2c(c1N)cn[nH]2)I TS86627 [1,1,0,0,0,0|0,1,0]=3 749 B12R2.246 c1c(cc2c(c1O)cno2)O TS10000 [1,1,0,0,0,0|2,0,0]=4 750 B12R2.246 c1c2c([nH]n1)nc(nc2Cl)Cl TS70824 [1,1,0,0,0,0|2,0,0]=4 751 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)Cl TS48826 [1,1,0,0,0,0|1,0,0]=3 752 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)N TS12323 [1,1,0,0,0,0|1,0,0]=3 753 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F TS59705 [1,1,0,0,0,0|1,1,0]=4 754 B12R2.246 c1c[nH]c2c1c(cc(n2)Cl)Br TS85692 [1,1,0,0,0,0|2,0,0]=4 755 B12R2.246 c1c[nH]c2c1c(cc(n2)Cl)Cl TS90009 [1,1,0,0,0,0|2,0,0]=4 756 B12R2.246 c1c[nH]c2c1c(cc(n2)Cl)N TS91218 [1,1,0,0,0,0|2,0,0]=4 757 B12R2.246 c1c[nH]c2c1c(nc(c2)Cl)Cl TS94462 [1,1,0,0,0,0|2,0,0]=4 758 B12R2.606 Cc1[nH]c2cc(ccc2n1)Cl TS12316 [1,1,0,0,0,0|2,0,0]=4 759 B12R2.606 Cc1cc2ccc(cc2[nH]1)O TS40529 [1,1,0,0,0,0|2,0,0]=4 760 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [1,1,0,0,0,0|1,0,1]=4 761 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [1,1,0,0,0,0|2,0,0]=4 762 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [1,1,0,0,0,0|2,0,0]=4 763 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)Cl TS15755 [1,1,0,0,0,0|2,0,0]=4 764 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)S TS48679 [1,1,0,0,0,0|2,0,0]=4 765 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl TS07907 [0,1,0,0,0,1|2,0,0]=4 766 B14R2.8235 c1cc2c(cc1F)c(nc(n2)O)O TS47834 [0,1,0,0,0,1|1,1,0]=4 767 B14R2.8239 c1c2c(cc(c1Cl)Cl)nc(cn2)O TS21818 [0,1,0,0,0,1|1,0,1]=4 768 B14R2.8239 c1cc2c(cc1Cl)nc(c(n2)O)O TS53757 [0,1,0,0,0,1|1,0,1]=4 769 B14R2.8038 Cc1c(ccc2c1nccc2O)Cl TS51705 [0,1,0,0,0,1|1,0,1]=4 770 B14R2.8038 c1cc(c(c2c1c(ccn2)O)Cl)Cl TS44440 [0,1,0,0,0,1|1,0,1]=4 771 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl TS21609 [0,1,0,0,0,1|1,0,1]=4 772 B14R2.28480 c1cnc2cc(cc(c2c1O)Cl)Cl TS21608 [0,1,0,0,0,1|1,0,1]=4 773 B14R2.29365 Cc1cc(=O)c2ccc(cc2[nH]1)Cl TS51717 [0,1,0,0,0,1|1,0,1]=4 774 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)[nH]c2=O TS16510 [0,1,0,0,0,1|0,0,2]=4 775 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)oc2=O TS71072 [0,1,0,0,0,1|1,0,1]=4 776 B14R2.29365 c1cc2c(cc1Cl)nc(nc2Cl)Cl TS32772 [0,1,0,0,0,1|1,0,1]=4 777 B14R2.152 CNc1c2ccc(cc2[nH]n1)OC TS14041 [0,2,0,0,0,0|2,0,0]=4 778 B14R2.152 COc1ccc2c(c1)[nH]nc2C#N TS13322 [0,2,0,0,0,0|2,0,0]=4 779 B14R2.152 COc1ccc2c(c1)[nH]nc2C=O TS13823 [0,2,0,0,0,0|1,0,1]=4 780 B14R2.300 Cc1ccc2c(c1)[nH]cc2C(=O)O TS16643 [0,2,0,0,0,0|2,0,0]=4 781 B14R2.300 c1c(cnc2c1[nH]nc2C(=O)O)Br TS92335 [0,2,0,0,0,0|1,1,0]=4 782 B14R2.300 c1cc(nc2c1c(c[nH]2)C(=O)O)Cl TS87095 [0,2,0,0,0,0|2,0,0]=4 783 B14R2.300 c1cc2c(cc1Br)[nH]cc2C(=O)O TS55539 [0,2,0,0,0,0|1,1,0]=4 784 B14R2.300 c1cc2c(cc1Br)[nH]nc2C(=O)O TS33199 [0,2,0,0,0,0|0,1,0]=3 785 B14R2.300 c1cc2c(cc1Br)onc2C(=O)O TS26774 [0,2,0,0,0,0|1,1,0]=4 786 B14R2.300 c1cc2c(cc1Cl)[nH]cc2C(=O)O TS08440 [0,2,0,0,0,0|1,0,0]=3 787 B14R2.300 c1cc2c(cc1Cl)[nH]nc2C(=O)O TS16486 [0,2,0,0,0,0|0,0,0]=2 788 B14R2.300 c1cc2c(cc1Cl)onc2C(=O)O TS53900 [0,2,0,0,0,0|1,0,0]=3 789 B14R2.300 c1cc2c(cc1F)[nH]nc2C(=O)O TS47830 [0,2,0,0,0,0|0,1,0]=3 790 B14R2.300 c1cc2c(cc1F)onc2C(=O)O TS48038 [0,2,0,0,0,0|1,1,0]=4 791 B14R2.467 c1cc2c(cc1Cl)[nH]cc2CC#N TS17201 [0,2,0,0,0,0|2,0,0]=4 792 B14R2.467 c1cc2c(cc1Cl)[nH]cc2CCN TS17973 [0,2,0,0,0,0|2,0,0]=4 793 B14R2.12145 c1c2c(cc(c1Cl)Cl)[nH]nc2C#N TS21230 [0,2,0,0,0,0|1,0,0]=3 794 B14R2.12145 c1c2c(cc(c1F)F)[nH]nc2C#N TS14349 [0,2,0,0,0,0|1,1,0]=4 795 B14R2.5719 B(c1ccc2c(n[nH]c2c1)C)(O)O TS86003 [0,2,0,0,0,0|2,0,0]=4 796 B14R2.5719 Cc1c2ccc(cc2[nH]n1)C(=O)O TS13803 [0,2,0,0,0,0|2,0,0]=4 797 B14R2.5719 Cc1c2ccc(cc2[nH]n1)[N+](=O)[O-] TS02837 [0,2,0,0,0,0|2,0,0]=4 798 B14R2.5719 c1cc2c(cc1C(=O)O)[nH]nc2Br TS86673 [0,2,0,0,0,0|2,0,0]=4 799 B14R2.5719 c1cc2c(cc1C(=O)O)[nH]nc2I TS90053 [0,2,0,0,0,0|2,0,0]=4 800 B14R2.5719 c1cc2c(cc1[N+](=O)[O-])[nH]nc2Br TS26776 [0,2,0,0,0,0|2,0,0]=4 801 B14R2.5719 c1cc2c(cc1[N+](=O)[O-])[nH]nc2Cl TS53901 [0,2,0,0,0,0|2,0,0]=4 802 B14R2.5719 c1cc2c(cc1[N+](=O)[O-])[nH]nc2I TS57991 [0,2,0,0,0,0|2,0,0]=4 803 B14R2.5719 c1cc2c(cc1[N+](=O)[O-])[nH]nc2O TS65091 [0,2,0,0,0,0|1,0,0]=3 804 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)Cl TS52085 [0,2,0,0,0,0|1,0,1]=4 805 B14R2.645 Cc1cc2c(cc1Cl)NC(=O)C2=O TS18133 [0,2,0,0,0,0|1,0,1]=4 806 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl TS70837 [0,2,0,0,0,0|1,0,1]=4 807 B12R2.24 c1cc2c(cc1Cl)NCCO2 TS20095 [0,0,1,1,0,0|1,0,1]=4 808 B12R2.1081 c1cc2cnccc2c(c1)Cl TS71517 [0,0,1,1,0,0|2,0,0]=4 809 B12R2.1081 c1cc2cncnc2c(c1)Cl TS11948 [0,0,1,1,0,0|2,0,0]=4 810 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,0,1,0|1,0,1]=4 811 B12R1.49 c1cc(ccc1CC(=O)NN)Cl TS48673 [0,0,1,0,0,1|0,0,2]=4 812 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS23393 [0,0,1,0,0,1|0,0,2]=4 813 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS48796 [0,0,1,0,0,1|0,0,2]=4 814 B12R1.49 c1cc(ccc1NC(=S)NN)Cl TS38180 [0,0,1,0,0,1|0,1,1]=4 815 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,0,1,0,0,1|2,0,0]=4 816 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,0,1,0,0,1|2,0,0]=4 817 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,0,1,0,0,1|2,0,0]=4 818 B14R2.8719 c1cc2c(cc1Cl)NCCCC2=O TS18148 [0,0,0,0,0,2|1,0,1]=4