0 B13R2.64 C(c1ccccc1)n2ccnc2 CSC000188494 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.64 C(c1ccccc1)n2ccnn2 CSC000055469 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.19 Brc1cnn(c1)Cc2ccccc2 CSC011374753 [0,1,0,0,0,0|2,0,0]=3 3 B14R2.19 Brc1cnn(c1)Cc2ccccn2 CSC011400198 [0,1,0,0,0,0|3,0,0]=4 4 B14R2.19 Brc1cnn(c1)Cc2cccnc2 CSC011400199 [0,1,0,0,0,0|3,0,0]=4 5 B14R2.19 Brc1ncn(n1)Cc2ccccc2 CSC010205725 [0,1,0,0,0,0|3,0,0]=4 6 B14R2.19 Clc1ncn(n1)Cc2ccccc2 CSC000144077 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.19 Ic1cnn(c1)Cc2ccccc2 CSC011356856 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.19 Ic1cnn(c1)Cc2cccnc2 CSC012073304 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.30 Cn1ccnc1Sc2ncccn2 CSC000006533 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.72 Brc1ccc(cc1)Cn2cncn2 CSC011493568 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.72 Brc1cnc(nc1)Sc2ncc[nH]2 CSC012465074 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.72 Ic1ccc(cc1)Cn2cccn2 CSC011356883 [0,1,0,0,0,0|2,0,0]=3 13 B14R2.72 Ic1ccc(cc1)Cn2cncn2 CSC011356882 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.716 Nc1cccc(c1)Cn2cncn2 CSC000741842 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,0,1,0,0,0|3,0,0]=4 16 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [0,0,0,0,1,0|0,0,0]=1 17 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [0,0,0,0,1,0|1,0,0]=2 18 B12R2.2 c1nc(n[nH]1)c2ccccc2 CSC000757066 [0,0,0,0,1,0|1,0,1]=3 19 B14R2.6 C(N1CCC=CC1)c2ccccc2 CSC000103602 [0,0,0,0,0,1|3,0,0]=4 20 B14R2.101 C(Nc1ccccc1)c2cc[nH]n2 CSC011332748 [0,0,0,0,0,1|2,0,0]=3 21 B14R2.101 C(Nc1ccccc1)c2cccs2 CSC000219589 [0,0,0,0,0,1|2,0,0]=3 22 B14R2.101 C(Nc1ccccn1)c2ccco2 CSC000156104 [0,0,0,0,0,1|3,0,0]=4 23 B14R2.101 C(SC1=NCCS1)c2ccccc2 CSC000000673 [0,0,0,0,0,1|1,0,2]=4 24 B14R2.101 C(Sc1ccccn1)c2nnn[nH]2 CSC015403098 [0,0,0,0,0,1|3,0,0]=4 25 B14R2.101 C(Sc1ncc[nH]1)c2ccccc2 CSC009928223 [0,0,0,0,0,1|0,0,0]=1 26 B14R2.101 C(Sc1nnc[nH]1)c2ccccc2 CSC000000440 [0,0,0,0,0,1|1,0,0]=2 27 B14R2.101 C(Sc1nnc[nH]1)c2cccnc2 CSC000044161 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.10 Cc1cc([nH]n1)c2ccccc2 CSC000009428 [0,1,0,0,1,0|2,0,0]=4 29 B13R2.10 Cc1csc(n1)c2ccccc2 CSC000169097 [0,1,0,0,1,0|1,0,0]=3 30 B13R2.10 Cc1csc(n1)c2ccccn2 CSC000169244 [0,1,0,0,1,0|2,0,0]=4 31 B13R2.10 Cc1nc(no1)c2ccccc2 CSC000015794 [0,1,0,0,1,0|1,0,1]=4 32 B13R2.10 Cc1nnc(o1)c2ccccc2 CSC000011779 [0,1,0,0,1,0|2,0,0]=4 33 B13R2.10 Cc1noc(n1)c2ccccc2 CSC000073341 [0,1,0,0,1,0|2,0,0]=4 34 B13R2.10 Cn1ccc(n1)c2ccccc2 CSC012186690 [0,1,0,0,1,0|2,0,0]=4 35 B13R2.10 Cn1cnc(c1)c2ccccc2 CSC009840319 [0,1,0,0,1,0|2,0,0]=4 36 B13R2.10 O=C1CC(=NN1)c2ccccc2 CSC000175146 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.12 Clc1ccc(cc1)c2c[nH]cn2 CSC000043199 [0,1,0,0,1,0|2,0,0]=4 38 B13R2.12 Clc1ccc(cc1)c2cccs2 CSC000084716 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.12 Fc1ccc(cc1)c2cccs2 CSC000084713 [0,1,0,0,1,0|2,0,0]=4 40 B13R2.12 Nc1ccc(cc1)c2c[nH]cn2 CSC000018468 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.12 Nc1ccc(cc1)c2ncc[nH]2 CSC000746964 [0,1,0,0,1,0|0,0,0]=2 42 B13R2.12 Oc1ccc(cc1)c2ncc[nH]2 CSC000748570 [0,1,0,0,1,0|0,0,0]=2 43 B13R2.13 Nc1cccc(c1)c2cccs2 CSC000737012 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.13 Nc1cccc(c1)c2ccn[nH]2 CSC016048636 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.15 Cn1ccnc1c2ccccc2 CSC009860139 [0,1,0,0,1,0|0,0,0]=2 46 B13R2.15 Cn1nccc1c2ccccc2 CSC011464477 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.18 Oc1ccccc1c2ccn[nH]2 CSC000745709 [0,1,0,0,1,0|2,0,0]=4 48 B15R2.29 Brc1cnc(nc1)Nc2ccccc2 CSC011939124 [0,1,0,0,0,1|1,0,1]=4 49 B15R2.29 Fc1ccc(cc1)Oc2ncccn2 CSC032195680 [0,1,0,0,0,1|1,0,1]=4 50 B15R2.29 Ic1ccc(cc1)Oc2ncccn2 CSC000173529 [0,1,0,0,0,1|1,0,1]=4 51 B15R2.31 Ic1cccc(c1)Oc2ncccn2 CSC000171928 [0,1,0,0,0,1|1,0,1]=4 52 B15R2.38 O=c1ncccn1Cc2ccccc2 CSC011434294 [0,1,0,0,0,1|2,0,0]=4 53 B15R2.55 Cn1ccnc1SCc2ccccc2 CSC000000349 [0,1,0,0,0,1|0,0,0]=2 54 B15R2.55 Cn1cnnc1SCc2ccccc2 CSC000000882 [0,1,0,0,0,1|1,0,0]=3 55 B15R2.55 Cn1nnnc1NCc2ccccc2 CSC000216270 [0,1,0,0,0,1|2,0,0]=4 56 B15R2.55 Cn1nnnc1SCc2ccccc2 CSC046079834 [0,1,0,0,0,1|2,0,0]=4 57 B15R2.64 O=C(Nc1ccccc1)c2ncc[nH]2 CSC000024769 [0,1,0,0,0,1|0,0,1]=3 58 B15R2.100 Brc1ccc(cc1)CSc2nnc[nH]2 CSC021578711 [0,1,0,0,0,1|1,0,0]=3 59 B15R2.100 Brc1ccc(cc1)NCc2ccco2 CSC000238346 [0,1,0,0,0,1|2,0,0]=4 60 B15R2.100 Cc1ccc(cc1)CSc2cccs2 CSC000041371 [0,1,0,0,0,1|2,0,0]=4 61 B15R2.100 Cc1ccc(cc1)CSc2nnc[nH]2 CSC000000423 [0,1,0,0,0,1|1,0,0]=3 62 B15R2.100 Cc1ccc(cc1)NCc2cc[nH]n2 CSC011332828 [0,1,0,0,0,1|2,0,0]=4 63 B15R2.100 Cc1ccc(cc1)SCc2nnn[nH]2 CSC011228677 [0,1,0,0,0,1|2,0,0]=4 64 B15R2.100 Clc1ccc(cc1)CSc2cccs2 CSC000023525 [0,1,0,0,0,1|2,0,0]=4 65 B15R2.100 Clc1ccc(cc1)NCc2cccs2 CSC000189042 [0,1,0,0,0,1|2,0,0]=4 66 B15R2.100 Clc1ccc(cc1)SCc2nnn[nH]2 CSC011217293 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.100 Clc1ccc(cc1)SCc2nnn[nH]2 CSC011217293 [0,1,0,0,0,1|2,0,0]=4 68 B15R2.100 Fc1ccc(cc1)CSc2nnc[nH]2 CSC000000446 [0,1,0,0,0,1|1,0,0]=3 69 B15R2.100 Fc1ccc(cc1)NCc2cc[nH]n2 CSC011332799 [0,1,0,0,0,1|2,0,0]=4 70 B15R2.100 Fc1ccc(cc1)NCc2ncc[nH]2 CSC000715791 [0,1,0,0,0,1|0,0,0]=2 71 B15R2.100 Fc1ccc(cc1)SCc2nnn[nH]2 CSC011228565 [0,1,0,0,0,1|2,0,0]=4 72 B15R2.283 Cc1n[nH]c(n1)CSc2ccccc2 CSC012530986 [0,1,0,0,0,1|1,0,0]=3 73 B15R2.283 Cc1n[nH]c(n1)CSc2ccncc2 CSC046079944 [0,1,0,0,0,1|2,0,0]=4 74 B15R2.283 Cc1nnc(o1)COc2ccccc2 CSC000151832 [0,1,0,0,0,1|2,0,0]=4 75 B15R2.283 Cn1ccc(n1)CNc2ccccc2 CSC011997108 [0,1,0,0,0,1|2,0,0]=4 76 B15R2.283 Nc1nnc(s1)SCc2ccccc2 CSC000149045 [0,1,0,0,0,1|2,0,0]=4 77 B15R2.562 Cc1ccccc1NCc2ccco2 CSC011232012 [0,1,0,0,0,1|2,0,0]=4 78 B15R2.562 Clc1ccccc1CSc2nnc[nH]2 CSC046238149 [0,1,0,0,0,1|1,0,0]=3 79 B15R2.562 Clc1ccccc1NCc2ccco2 CSC000186663 [0,1,0,0,0,1|2,0,0]=4 80 B15R2.562 Clc1ccccc1NCc2cccs2 CSC000219398 [0,1,0,0,0,1|2,0,0]=4 81 B15R2.562 Fc1ccccc1NCc2ccco2 CSC011231785 [0,1,0,0,0,1|2,0,0]=4 82 B15R2.562 Fc1ccccc1NCc2cccs2 CSC000220380 [0,1,0,0,0,1|2,0,0]=4 83 B15R2.1117 Brc1cccc(c1)CSc2nnc[nH]2 CSC021541819 [0,1,0,0,0,1|1,0,0]=3 84 B15R2.1117 Cc1cccc(c1)CSc2nnc[nH]2 CSC000000454 [0,1,0,0,0,1|1,0,0]=3 85 B15R2.1117 Cc1cccc(c1)NCc2cc[nH]n2 CSC011332743 [0,1,0,0,0,1|2,0,0]=4 86 B15R2.1117 Cc1cccc(c1)NCc2ccco2 CSC011230710 [0,1,0,0,0,1|2,0,0]=4 87 B15R2.1117 Clc1cccc(c1)CSc2nnc[nH]2 CSC041641255 [0,1,0,0,0,1|1,0,0]=3 88 B15R2.1117 Clc1cccc(c1)NCc2cccs2 CSC000220067 [0,1,0,0,0,1|2,0,0]=4 89 B15R2.1117 Fc1cccc(c1)CSc2nnc[nH]2 CSC000000425 [0,1,0,0,0,1|1,0,0]=3 90 B15R2.1117 Fc1cccc(c1)NCc2cc[nH]n2 CSC011332792 [0,1,0,0,0,1|2,0,0]=4 91 B15R2.1259 CC(Sc1nnc[nH]1)c2ccccc2 CSC000000422 [0,1,0,0,0,1|1,0,0]=3 92 B15R2.1259 OC(Cn1cccn1)c2ccccc2 CSC000242615 [0,1,0,0,0,1|2,0,0]=4 93 B15R2.15 N#Cc1cnn(c1)Cc2ccccc2 CSC012001390 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.98 Brc1ccc(cc1)Cn2cc(cn2)I CSC012072789 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.98 Cc1ccc(cc1)Cn2cc(cn2)I CSC012073222 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.98 Clc1ccc(cc1)Cn2cc(cn2)I CSC012073180 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.98 Clc1cnn(c1)Cc2ccc(cc2)Cl CSC041212685 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.98 Fc1ccc(cc1)Cn2cc(cn2)I CSC012073253 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.305 Clc1ccccc1Cn2cc(cn2)I CSC012073274 [0,2,0,0,0,0|2,0,0]=4 100 B15R2.305 Clc1cnn(c1)Cc2ccccc2Cl CSC028543497 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.305 Fc1ccccc1Cn2cc(cn2)Br CSC011400168 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.1115 Cc1cccc(c1)Cn2cc(cn2)I CSC012073162 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.1115 Clc1cccc(c1)Cn2cc(cn2)Br CSC011400165 [0,2,0,0,0,0|2,0,0]=4 104 B15R2.1115 Clc1cccc(c1)Cn2cc(cn2)I CSC012073123 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.1115 Nc1cccc(c1)Cn2cc(cn2)Br CSC011398158 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.1115 Nc1cccc(c1)Cn2cc(cn2)Cl CSC000238416 [0,2,0,0,0,0|2,0,0]=4 107 B15R2.395 Cn1ccnc1C(=O)c2ccccc2 CSC000197753 [0,2,0,0,0,0|0,0,1]=3 108 B15R2.395 Cn1ccnc1C(=O)c2ccccn2 CSC011385005 [0,2,0,0,0,0|1,0,1]=4 109 B15R2.395 Cn1ccnc1C(=O)c2ccncc2 CSC000766945 [0,2,0,0,0,0|1,0,1]=4 110 B15R2.34 OCc1ccc(cc1)Cn2cccn2 CSC011934950 [0,2,0,0,0,0|2,0,0]=4 111 B11R2.2 c1csc(c1)c2ncc[nH]2 CSC000743115 [0,0,0,0,2,0|1,0,0]=3 112 B15R2.2195 C(=Cc1ccncn1)c2ccccc2 CSC046097546 [0,0,0,0,0,2|1,0,1]=4 113 B15R2.2195 C(Nc1ccccc1)c2ccccc2 CSC000188819 [0,0,0,0,0,2|2,0,0]=4 114 B15R2.2195 C(Nc1ccccc1)c2cccnc2 CSC011211160 [0,0,0,0,0,2|1,0,0]=3 115 B15R2.2195 C(Nc1ccccn1)c2ccccn2 CSC000156431 [0,0,0,0,0,2|2,0,0]=4 116 B15R2.2195 C(Nc1ccccn1)c2cccnc2 CSC000156437 [0,0,0,0,0,2|2,0,0]=4 117 B15R2.2195 C(Nc1cccnc1)c2ccccc2 CSC011230970 [0,0,0,0,0,2|1,0,0]=3 118 B15R2.2195 C(Nc1ncccn1)c2ccccn2 CSC000156432 [0,0,0,0,0,2|1,0,1]=4 119 B15R2.2195 C(Oc1ccncc1)c2ccccc2 CSC000045163 [0,0,0,0,0,2|2,0,0]=4 120 B15R2.2195 C(Sc1ccccc1)c2ccccc2 CSC000000821 [0,0,0,0,0,2|2,0,0]=4 121 B15R2.2195 C(Sc1ccccc1)c2cccnc2 CSC000044157 [0,0,0,0,0,2|1,0,0]=3 122 B15R2.2195 C(Sc1ccccn1)c2ccccn2 CSC000031117 [0,0,0,0,0,2|2,0,0]=4 123 B15R2.2195 C(Sc1ncccn1)c2ccccc2 CSC000000291 [0,0,0,0,0,2|0,0,1]=3 124 B15R2.2195 C(Sc1ncccn1)c2cccnc2 CSC000044158 [0,0,0,0,0,2|1,0,1]=4 125 B15R2.2195 C(Sc1ncccn1)c2ccncc2 CSC000048319 [0,0,0,0,0,2|1,0,1]=4 126 B15R2.2196 C(NCc1ccccc1)c2cccs2 CSC000186831 [0,0,0,0,0,2|2,0,0]=4 127 B15R2.2196 C(SCc1ccccc1)c2nnn[nH]2 CSC033174010 [0,0,0,0,0,2|2,0,0]=4 128 B15R2.2196 N(N=Cc1ccc[nH]1)c2ccccc2 CSC045351403 [0,0,0,0,0,2|1,0,1]=4