0 B14R2.101 c1ccc(cc1)C=Cc2[nH]ccn2 TS45146 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.101 c1ccc(cc1)C=Cc2n[nH]nn2 TS13163 [0,0,0,0,0,0|2,0,2]=4 2 B14R2.101 c1ccc(cc1)CCC2CCNC2 TS46013 [0,0,0,0,0,0|1,0,3]=4 3 B14R2.101 c1ccc(cc1)CNc2[nH]nnn2 TS13689 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.101 c1ccc(cc1)CNc2ncco2 TS62412 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.101 c1ccc(cc1)COn2ccnc2 TS13508 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.101 c1ccc(cc1)CSc2[nH]nnn2 TS51490 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.101 c1ccc(cc1)NCC2=NCCN2 TS13721 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.101 c1ccc(cc1)NCc2ccco2 TS13347 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.101 c1ccnc(c1)SCc2ccco2 TS51323 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.100 Cc1ccc(cc1)NCc2ccco2 TS15809 [0,1,0,0,0,0|3,0,0]=4 11 B15R2.100 c1cc(sc1)CNc2ccc(cc2)O TS20016 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.283 c1ccc(cc1)CSc2nc(ns2)N TS50353 [0,1,0,0,0,0|2,0,1]=4 13 B15R2.283 c1ccc(cc1)CSc2nc(ns2)O TS23886 [0,1,0,0,0,0|2,0,1]=4 14 B15R3.1739 c1ccc-2c(c1)CCc3c2n[nH]c3 TS45140 [0,0,0,1,0,0|2,0,0]=3 15 B15R3.1739 c1ccc2c(c1)ccc3c2[nH]cn3 TS12549 [0,0,0,1,0,0|0,0,2]=3 16 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS11292 [0,0,0,0,1,0|2,0,1]=4 17 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS53778 [0,0,0,0,1,0|2,0,1]=4 18 B13R2.64 c1ccc(cc1)C[n+]2ccsc2 TS28877 [0,0,0,0,1,0|3,0,0]=4 19 B13R2.64 c1ccc(cc1)Cc2[nH]nnn2 TS42164 [0,0,0,0,1,0|2,0,1]=4 20 B13R2.64 c1ccc(cc1)Cn2cccc2 TS41805 [0,0,0,0,1,0|3,0,0]=4 21 B13R2.64 c1ccc(cc1)Cn2cccn2 TS41918 [0,0,0,0,1,0|2,0,0]=3 22 B13R2.64 c1ccc(cc1)Cn2ccnc2 TS41925 [0,0,0,0,1,0|2,0,1]=4 23 B13R2.64 c1ccc(cc1)Cn2cncn2 TS42062 [0,0,0,0,1,0|1,0,1]=3 24 B13R2.64 c1ccc(cc1)Oc2ccsc2 TS13884 [0,0,0,0,1,0|3,0,0]=4 25 B13R2.64 c1ccnc(c1)Cc2ccco2 TS11126 [0,0,0,0,1,0|3,0,0]=4 26 B15R2.2195 c1cc(cnc1)CSc2ncccn2 TS19628 [0,0,0,0,0,1|3,0,0]=4 27 B15R2.2195 c1ccc(cc1)C=Cc2ccccn2 TS14821 [0,0,0,0,0,1|1,0,2]=4 28 B15R2.2195 c1ccc(cc1)CCc2ccccc2 TS15019 [0,0,0,0,0,1|2,0,0]=3 29 B15R2.2195 c1ccc(cc1)CNc2ccccc2 TS01616 [0,0,0,0,0,1|3,0,0]=4 30 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS55056 [0,0,0,0,0,1|2,0,0]=3 31 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS67971 [0,0,0,0,0,1|2,0,0]=3 32 B15R2.2195 c1ccc(cc1)CNc2cccnc2 TS15297 [0,0,0,0,0,1|2,0,0]=3 33 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS60375 [0,0,0,0,0,1|2,0,1]=4 34 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS67972 [0,0,0,0,0,1|2,0,1]=4 35 B15R2.2195 c1ccc(cc1)CNc2cnccn2 TS15472 [0,0,0,0,0,1|1,0,1]=3 36 B15R2.2195 c1ccc(cc1)COc2ccccc2 TS48575 [0,0,0,0,0,1|3,0,0]=4 37 B15R2.2195 c1ccc(cc1)CSc2ccccc2 TS19062 [0,0,0,0,0,1|3,0,0]=4 38 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS08604 [0,0,0,0,0,1|2,0,0]=3 39 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS49886 [0,0,0,0,0,1|2,0,0]=3 40 B15R2.2195 c1cnccc1CCc2ccncc2 TS15309 [0,0,0,0,0,1|2,0,1]=4 41 B15R2.2196 c1cc(oc1)CNCc2ccncc2 TS50752 [0,0,0,0,0,1|3,0,0]=4 42 B15R2.2196 c1ccc(cc1)CNCc2ccco2 TS15810 [0,0,0,0,0,1|2,0,0]=3 43 B15R2.2196 c1ccc(cc1)CNCc2cccs2 TS38494 [0,0,0,0,0,1|2,0,0]=3 44 B12R1.8 C=CCOCCc1ccccc1 TS11590 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.8 CC=CCCCc1ccccc1 TS42215 [1,0,1,0,0,0|1,0,1]=4 46 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.27 c1ccc(cc1)OCC(=NO)N TS43060 [1,0,1,0,0,0|2,0,0]=4 51 B14R2.19 c1ccc(cc1)CC2=NC(=S)SC2 TS20426 [0,1,0,0,1,0|1,0,1]=4 52 B14R2.19 c1ccc(cc1)Cn2cc(cn2)I TS64990 [0,1,0,0,1,0|2,0,0]=4 53 B14R2.30 c1ccc(cc1)Cn2c(ccn2)N TS13371 [0,1,0,0,1,0|2,0,0]=4 54 B14R2.50 c1ccc(c(c1)Cc2n[nH]nn2)Br TS26314 [0,1,0,0,1,0|2,0,0]=4 55 B14R2.50 c1ccc(c(c1)Cc2n[nH]nn2)Cl TS51934 [0,1,0,0,1,0|2,0,0]=4 56 B14R2.72 c1cc(ccc1Cc2n[nH]nn2)Br TS26312 [0,1,0,0,1,0|2,0,0]=4 57 B14R2.72 c1cc(ccc1Cc2n[nH]nn2)Cl TS51936 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.72 c1cc(ccc1Cn2cncn2)N TS21035 [0,1,0,0,1,0|1,0,1]=4 59 B14R2.72 c1cc(ccc1Cn2cncn2)N TS70850 [0,1,0,0,1,0|1,0,1]=4 60 B14R2.72 c1cc(ccc1Cn2cncn2)O TS45961 [0,1,0,0,1,0|1,0,1]=4 61 B14R2.72 c1cnn(c1)Cc2ccc(cc2)N TS45651 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.114 c1ccc(cc1)C(c2[nH]ccn2)O TS13511 [0,1,0,0,1,0|2,0,0]=4 63 B14R2.114 c1ccc(cc1)C(c2ccco2)N TS20817 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.114 c1ccc(cc1)C(c2ccco2)O TS13491 [0,1,0,0,1,0|2,0,0]=4 65 B14R2.114 c1ccc(cc1)C(c2cccs2)N TS52244 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.114 c1ccc(cc1)C(c2cccs2)O TS17127 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.716 c1cc(cc(c1)Br)Cc2n[nH]nn2 TS26313 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.716 c1cc(cc(c1)N)Cn2cccn2 TS45659 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.716 c1cc(cc(c1)N)Cn2cncn2 TS13524 [0,1,0,0,1,0|1,0,1]=4 70 B16R2.71 c1ccc(c(c1)CNc2ccccn2)Cl TS58213 [0,1,0,0,0,1|2,0,0]=4 71 B16R2.71 c1ccc(c(c1)CNc2cccnc2)Cl TS58216 [0,1,0,0,0,1|2,0,0]=4 72 B16R2.71 c1ccc(cc1)COc2c(cccn2)Br TS29994 [0,1,0,0,0,1|2,0,0]=4 73 B16R2.71 c1ccc(cc1)COc2c(cccn2)N TS37921 [0,1,0,0,0,1|2,0,0]=4 74 B16R2.71 c1ccc(cc1)COc2c(cccn2)O TS19220 [0,1,0,0,0,1|2,0,0]=4 75 B16R2.71 c1ccc(cc1)COc2cccnc2N TS37927 [0,1,0,0,0,1|2,0,0]=4 76 B16R2.88 c1ccc(cc1)C(=O)Cc2ccncn2 TS18628 [0,1,0,0,0,1|0,0,2]=4 77 B16R2.88 c1ccc(cc1)C(=O)Cc2ncccn2 TS59913 [0,1,0,0,0,1|1,0,1]=4 78 B16R2.88 c1ccc(cc1)CC(=O)c2ccccn2 TS53868 [0,1,0,0,0,1|1,0,1]=4 79 B16R2.88 c1ccc(cc1)CC(=O)c2cccnc2 TS85356 [0,1,0,0,0,1|1,0,1]=4 80 B16R2.88 c1ccc(cc1)CC(c2ccccc2)N TS00351 [0,1,0,0,0,1|2,0,0]=4 81 B16R2.132 c1cc(cnc1)CNc2ccc(cc2)Br TS29892 [0,1,0,0,0,1|2,0,0]=4 82 B16R2.132 c1cc(cnc1)NCc2ccc(cc2)Cl TS58219 [0,1,0,0,0,1|2,0,0]=4 83 B16R2.132 c1ccc(cc1)CNc2ncc(cn2)Br TS29998 [0,1,0,0,0,1|2,0,0]=4 84 B16R2.132 c1ccc(cc1)COc2ccc(cn2)Br TS29990 [0,1,0,0,0,1|2,0,0]=4 85 B16R2.132 c1ccc(cc1)COc2cnc(nc2)Cl TS00898 [0,1,0,0,0,1|1,0,1]=4 86 B16R2.132 c1ccc(cc1)COc2ncc(cn2)Br TS30131 [0,1,0,0,0,1|2,0,0]=4 87 B16R2.132 c1ccnc(c1)NCc2ccc(cc2)Cl TS58217 [0,1,0,0,0,1|2,0,0]=4 88 B16R2.132 c1ccnc(c1)NCc2ccc(cc2)F TS33687 [0,1,0,0,0,1|2,0,0]=4 89 B16R2.252 Cc1ccnc(c1)NCc2ccccc2 TS54053 [0,1,0,0,0,1|2,0,0]=4 90 B16R2.252 c1ccc(cc1)CCc2cccc(c2)O TS70703 [0,1,0,0,0,1|2,0,0]=4 91 B16R2.252 c1ccc(cc1)COc2cc(cnc2)Br TS29992 [0,1,0,0,0,1|2,0,0]=4 92 B16R2.252 c1ccc(cc1)COc2cc[nH]c(=O)c2 TS03011 [0,1,0,0,0,1|2,0,0]=4 93 B16R2.252 c1ccc(cc1)COc2cccc(n2)Br TS22812 [0,1,0,0,0,1|2,0,0]=4 94 B16R2.252 c1ccc(cc1)COc2cncc(n2)Cl TS47075 [0,1,0,0,0,1|1,0,1]=4 95 B16R2.252 c1ccnc(c1)NCc2cccc(c2)Cl TS58218 [0,1,0,0,0,1|2,0,0]=4 96 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 TS19246 [0,1,0,0,0,1|2,0,0]=4 97 B16R2.2959 Cc1ccccc1CNCc2ccco2 TS19236 [0,1,0,0,0,1|2,0,0]=4 98 B16R2.2959 c1ccc(c(c1)CNCc2ccco2)Cl TS23369 [0,1,0,0,0,1|2,0,0]=4 99 B16R2.2904 CC1=NN(C(=O)C1)CCc2ccccc2 TS19422 [0,2,0,0,0,0|2,0,0]=4 100 B16R2.25778 Cc1cccc(c1CCc2c[nH]cn2)C TS19053 [0,2,0,0,0,0|0,0,0]=2 101 B14R2.6 c1ccc(cc1)Cc2ccccn2 TS12701 [0,0,1,1,0,0|1,0,1]=4 102 B14R2.6 c1ccc(cc1)Cc2cccnc2 TS65890 [0,0,1,1,0,0|1,0,1]=4 103 B16R3.9 c1ccc-2c(c1)CCc3c2cccc3 TS47968 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.2 c1cc(cnc1)c2c[nH]cn2 TS07098 [0,0,0,0,2,0|1,0,0]=3 105 B12R2.2 c1ccc(cc1)c2[nH]ccn2 TS06961 [0,0,0,0,2,0|2,0,0]=4 106 B12R2.2 c1ccc(cc1)c2c[nH]cn2 TS40184 [0,0,0,0,2,0|0,0,0]=2 107 B12R2.2 c1ccc(cc1)c2c[nH]nn2 TS09763 [0,0,0,0,2,0|1,0,0]=3 108 B12R2.2 c1ccc(cc1)c2cc[nH]n2 TS32943 [0,0,0,0,2,0|2,0,0]=4 109 B12R2.2 c1ccc(cc1)c2ccc[nH]2 TS06875 [0,0,0,0,2,0|1,0,1]=4 110 B12R2.2 c1ccc(cc1)c2ccco2 TS06959 [0,0,0,0,2,0|2,0,0]=4 111 B12R2.2 c1ccc(cc1)c2cccs2 TS11300 [0,0,0,0,2,0|2,0,0]=4 112 B12R2.2 c1ccc(cc1)c2ccon2 TS07088 [0,0,0,0,2,0|2,0,0]=4 113 B12R2.2 c1ccc(cc1)c2ccsc2 TS11297 [0,0,0,0,2,0|2,0,0]=4 114 B12R2.2 c1ccc(cc1)c2cncs2 TS11439 [0,0,0,0,2,0|1,0,1]=4 115 B12R2.2 c1ccc(cc1)c2cscn2 TS42332 [0,0,0,0,2,0|1,0,0]=3 116 B12R2.2 c1ccc(cc1)c2csnn2 TS42479 [0,0,0,0,2,0|2,0,0]=4 117 B12R2.2 c1ccc(cc1)c2nccs2 TS11436 [0,0,0,0,2,0|2,0,0]=4 118 B12R2.2 c1ccc(cc1)n2cccn2 TS40183 [0,0,0,0,2,0|2,0,0]=4 119 B16R2.2256 c1cc(cnc1)CNCc2cccnc2 TS37761 [0,0,0,0,0,2|2,0,0]=4 120 B16R2.2256 c1ccc(cc1)CCCc2ccccc2 TS18318 [0,0,0,0,0,2|2,0,0]=4 121 B16R2.2256 c1ccc(cc1)CCCc2ccccn2 TS53881 [0,0,0,0,0,2|1,0,0]=3 122 B16R2.2256 c1ccc(cc1)CCCc2ccncc2 TS16882 [0,0,0,0,0,2|1,0,1]=4 123 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 TS18647 [0,0,0,0,0,2|2,0,0]=4 124 B16R2.2256 c1ccc(cc1)CN=Cc2cccnc2 TS18291 [0,0,0,0,0,2|1,0,1]=4 125 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 TS53537 [0,0,0,0,0,2|2,0,0]=4 126 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 TS54058 [0,0,0,0,0,2|1,0,0]=3 127 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 TS54057 [0,0,0,0,0,2|1,0,0]=3 128 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 TS54062 [0,0,0,0,0,2|1,0,1]=4 129 B16R2.2256 c1ccc(cc1)COCc2ccccc2 TS36464 [0,0,0,0,0,2|2,0,0]=4 130 B16R2.2256 c1ccc(cc1)COCc2ccccc2 TS54047 [0,0,0,0,0,2|2,0,0]=4 131 B16R2.2256 c1ccc(cc1)CPCc2ccccc2 TS21676 [0,0,0,0,0,2|2,0,0]=4 132 B16R2.2256 c1ccc(cc1)CSCc2ccccc2 TS21741 [0,0,0,0,0,2|2,0,0]=4 133 B16R2.2256 c1ccc(cc1)C[Hg]Cc2ccccc2 TS67265 [0,0,0,0,0,2|2,0,0]=4