0 B15R2.64 O=C(Cc1ccccc1)C2=CCCC2 1458a_100000038896_100015291786 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.64 O=C(Cc1ccccc1)C2=CCOC2 1458a_100000139269_100015291786 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.64 O=C(Cc1ccccc1)C2=COCC2 1458a_100000750620_100015291786 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.64 O=C(Nc1ccccc1)C2=CCCC2 11a_100000106764_100000038896 [0,0,0,0,0,0|2,0,1]=3 4 B15R2.64 O=C(Nc1ccccc1)C2=CCCC2 1626a_100000106764_100000038896 [0,0,0,0,0,0|2,0,1]=3 5 B15R2.64 O=C(Nc1ccccc1)C2=CCCC2 22a_100000106764_100000038896 [0,0,0,0,0,0|2,0,1]=3 6 B15R2.64 O=C(Nc1ccccc1)C2=CCOC2 11a_100000106764_100000139269 [0,0,0,0,0,0|2,0,1]=3 7 B15R2.64 O=C(Nc1ccccc1)C2=CCOC2 1626a_100000106764_100000139269 [0,0,0,0,0,0|2,0,1]=3 8 B15R2.64 O=C(Nc1ccccc1)C2=CCOC2 22a_100000106764_100000139269 [0,0,0,0,0,0|2,0,1]=3 9 B15R2.64 O=C(Nc1ccccc1)C2=COCC2 1626a_100000106764_100000750620 [0,0,0,0,0,0|3,0,0]=3 10 B15R2.64 O=C(Nc1ccccc1)C2=COCC2 22a_100000106764_100000750620 [0,0,0,0,0,0|3,0,0]=3 11 B15R2.64 O=C(Nc1ccccc1)C2CC=CC2 11a_100000106764_100000759439 [0,0,0,0,0,0|2,0,2]=4 12 B15R2.64 O=C(Nc1ccccc1)C2CC=CC2 1626a_100000106764_100000759439 [0,0,0,0,0,0|2,0,2]=4 13 B15R2.64 O=C(Nc1ccccc1)C2CC=CC2 22a_100000106764_100000759439 [0,0,0,0,0,0|2,0,2]=4 14 B15R2.64 O=C(Nc1ccccc1)C2CC=CC2 527a_100000106764_100000759439 [0,0,0,0,0,0|2,0,2]=4 15 B15R2.64 O=C(Nc1ccccc1)N2CC=CC2 2430a_100000106764_100015195280 [0,0,0,0,0,0|3,0,1]=4 16 B14R2.101 C(#Cc1cc[nH]n1)c2ccccc2 271570a_100000069678_100000062575 [1,0,0,0,0,0|1,0,1]=3 17 B14R2.101 C(#Cc1ccsn1)c2ccccc2 271570a_100000069678_100009818082 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.101 C(#Cc1nc[nH]n1)c2ccccc2 271570a_100000069678_100000761765 [1,0,0,0,0,0|2,0,1]=4 19 B14R2.101 C(=Cc1c[nH]cn1)c2ccccc2 271570a_100102527694_100000756875 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.101 C(=Cc1cc[nH]n1)c2ccccc2 271570a_100102527694_100000062575 [1,0,0,0,0,0|1,0,0]=2 21 B14R2.101 C(=Cc1cc[nH]n1)c2cccnc2 271570a_100102525586_100000062575 [1,0,0,0,0,0|2,0,0]=3 22 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [1,0,0,0,0,0|3,0,0]=4 23 B14R2.101 C(=Cc1cccs1)c2ccccc2 271570a_100102527694_100011215356 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.101 C(=Cc1ccsc1)c2ccccc2 271570a_100102527694_100000738268 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.101 C(=Cc1ccsn1)c2ccccc2 271570a_100102527694_100009818082 [1,0,0,0,0,0|2,0,0]=3 27 B14R2.101 C(=Cc1ccsn1)c2cccnc2 271570a_100102525586_100009818082 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.101 C(=Cc1cn[nH]c1)c2ccccc2 271570a_100102527694_100000238712 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.101 C(=Cc1cscn1)c2ccccc2 271570a_100102527694_100000751502 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.101 C(=Cc1nc[nH]n1)c2ccccc2 271570a_100102527694_100000761765 [1,0,0,0,0,0|2,0,0]=3 31 B14R2.101 C(=Cc1nc[nH]n1)c2cccnc2 271570a_100102525586_100000761765 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.101 C(=Cc1ncc[nH]1)c2ccccc2 271570a_100102527694_100025796157 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.101 C(=Cc1nccs1)c2ccccc2 271570a_100102527694_100000211983 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.101 C(=Cc1nncs1)c2ccccc2 271570a_100102527694_100000739804 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.101 C1=CC(=NNc2ccccc2)CC1 4a_100015195140_100000239507 [1,0,0,0,0,0|3,0,0]=4 37 B14R2.101 c1cc(ccn1)CSc2cc[nH]n2 62a_100000062575_100015193705 [1,0,0,0,0,0|3,0,0]=4 38 B14R2.101 c1cc(ccn1)CSc2cc[nH]n2 62a_100015193705_100000062575 [1,0,0,0,0,0|3,0,0]=4 39 B14R2.101 c1cc(ncn1)NCc2cc[nH]n2 27a_100000739516_100000703185 [1,0,0,0,0,0|2,0,1]=4 40 B14R2.101 c1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100015291786 [1,0,0,0,0,0|2,0,0]=3 41 B14R2.101 c1ccc(cc1)CSc2cc[nH]n2 62a_100000211182_100000062575 [1,0,0,0,0,0|2,0,0]=3 42 B14R2.101 c1ccc(cc1)CSc2ccon2 62a_100000211182_100009818083 [1,0,0,0,0,0|3,0,0]=4 43 B14R2.101 c1ccc(cc1)CSc2ccon2 62a_100009818083_100015291786 [1,0,0,0,0,0|3,0,0]=4 44 B14R2.101 c1ccc(cc1)CSc2ccsn2 62a_100000211182_100009818082 [1,0,0,0,0,0|3,0,0]=4 45 B14R2.101 c1ccc(cc1)CSc2ccsn2 62a_100009818082_100015291786 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.101 c1ccc(cc1)CSc2nc[nH]n2 62a_100000211182_100000761765 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.101 c1ccc(cc1)CSc2nc[nH]n2 62a_100000761765_100015291786 [1,0,0,0,0,0|3,0,0]=4 48 B14R2.101 c1ccc(cc1)NCc2c[nH]cn2 34a_100000106764_100000707719 [1,0,0,0,0,0|2,0,1]=4 49 B14R2.101 c1ccc(cc1)NCc2cc[nH]n2 207a_100000106764_100000738523 [1,0,0,0,0,0|0,0,1]=2 50 B14R2.101 c1ccc(cc1)NCc2ccco2 207a_100000106764_100000186105 [1,0,0,0,0,0|2,0,1]=4 51 B14R2.101 c1ccc(cc1)NCc2ccco2 270302a_100000106764_100000186105 [1,0,0,0,0,0|2,0,1]=4 52 B14R2.101 c1ccc(cc1)NCc2cccs2 207a_100000106764_100000209959 [1,0,0,0,0,0|2,0,1]=4 53 B14R2.101 c1ccc(cc1)NCc2cccs2 270302a_100000106764_100000209959 [1,0,0,0,0,0|2,0,1]=4 54 B14R2.101 c1ccc(cc1)NCc2ccn[nH]2 34a_100000106764_100000728653 [1,0,0,0,0,0|0,0,3]=4 55 B14R2.101 c1ccc(cc1)NCc2ccoc2 207a_100000106764_100011215517 [1,0,0,0,0,0|2,0,1]=4 56 B14R2.101 c1ccc(cc1)NCc2ccon2 34a_100000106764_100000234950 [1,0,0,0,0,0|1,0,1]=3 57 B14R2.101 c1ccc(cc1)NCc2ccsc2 207a_100000106764_100000188534 [1,0,0,0,0,0|2,0,1]=4 58 B14R2.101 c1ccc(cc1)NCc2ccsc2 270302a_100000106764_100000188534 [1,0,0,0,0,0|2,0,1]=4 59 B14R2.101 c1ccc(cc1)NCc2ccsc2 34a_100000106764_100011261437 [1,0,0,0,0,0|2,0,1]=4 60 B14R2.101 c1ccc(cc1)NCc2cn[nH]c2 207a_100000106764_100016992096 [1,0,0,0,0,0|2,0,1]=4 61 B14R2.101 c1ccc(cc1)NCc2cn[nH]c2 270302a_100000106764_100016992096 [1,0,0,0,0,0|2,0,1]=4 62 B14R2.101 c1ccc(cc1)NCc2cscn2 207a_100000106764_100000743575 [1,0,0,0,0,0|2,0,1]=4 63 B14R2.101 c1ccc(cc1)NCc2cscn2 270302a_100000106764_100000743575 [1,0,0,0,0,0|2,0,1]=4 64 B14R2.101 c1ccc(cc1)NCc2cscn2 34a_100000106764_100000205941 [1,0,0,0,0,0|2,0,1]=4 65 B14R2.101 c1ccc(cc1)NCc2ncc[nH]2 207a_100000106764_100000743867 [1,0,0,0,0,0|2,0,1]=4 66 B14R2.101 c1ccc(cc1)NCc2ncc[nH]2 34a_100000106764_100016991755 [1,0,0,0,0,0|2,0,1]=4 67 B14R2.101 c1ccc(cc1)NCc2ncco2 34a_100000106764_103436540062 [1,0,0,0,0,0|2,0,1]=4 68 B14R2.101 c1ccc(cc1)NCc2nccs2 207a_100000106764_100000750902 [1,0,0,0,0,0|2,0,1]=4 69 B14R2.101 c1ccc(cc1)NCc2nccs2 270302a_100000106764_100000750902 [1,0,0,0,0,0|2,0,1]=4 70 B14R2.101 c1ccc(cc1)NCc2nccs2 34a_100000106764_100015184050 [1,0,0,0,0,0|2,0,1]=4 71 B14R2.101 c1ccc(cc1)NCc2ncon2 34a_100000106764_100000233494 [1,0,0,0,0,0|2,0,1]=4 72 B14R2.101 c1ccc(cc1)OCc2ccon2 34a_100000210340_100000234950 [1,0,0,0,0,0|2,0,1]=4 73 B14R2.101 c1ccc(cc1)OCc2ccon2 7a_100000210340_100000234950 [1,0,0,0,0,0|2,0,1]=4 74 B14R2.101 c1ccc(cc1)SCc2ccon2 62a_100000234950_100000041952 [1,0,0,0,0,0|2,0,1]=4 75 B14R2.101 c1ccc(cc1)SCc2ccon2 62a_100000719477_100000234950 [1,0,0,0,0,0|2,0,1]=4 76 B14R2.101 c1ccc(nc1)CSc2cc[nH]n2 62a_100000062575_100000721315 [1,0,0,0,0,0|3,0,0]=4 77 B14R2.101 c1ccc(nc1)CSc2cc[nH]n2 62a_100000721315_100000062575 [1,0,0,0,0,0|3,0,0]=4 78 B14R2.101 c1cnc(cn1)NCc2cc[nH]n2 27a_100000739516_100000211759 [1,0,0,0,0,0|2,0,1]=4 79 B14R2.101 c1cnc(nc1)NCc2cc[nH]n2 27a_100000739516_100000211032 [1,0,0,0,0,0|2,0,1]=4 80 B14R2.101 c1cncc(c1)CSc2cc[nH]n2 62a_100000062575_100000741622 [1,0,0,0,0,0|3,0,0]=4 81 B14R2.101 c1cncc(c1)CSc2cc[nH]n2 62a_100000741622_100000062575 [1,0,0,0,0,0|3,0,0]=4 82 B14R2.101 c1cnnc(c1)NCc2cc[nH]n2 27a_100000739516_100016991348 [1,0,0,0,0,0|2,0,1]=4 83 B16R2.133 Cc1ccc(cc1)NC(=O)C2=CCCC2 11a_100000124888_100000038896 [0,1,0,0,0,0|2,0,1]=4 84 B16R2.133 Cc1ccc(cc1)NC(=O)C2=CCCC2 1626a_100000124888_100000038896 [0,1,0,0,0,0|2,0,1]=4 85 B16R2.133 Cc1ccc(cc1)NC(=O)C2=CCCC2 22a_100000124888_100000038896 [0,1,0,0,0,0|2,0,1]=4 86 B16R2.133 Cc1ccc(cc1)NC(=O)C2=CCOC2 11a_100000124888_100000139269 [0,1,0,0,0,0|2,0,1]=4 87 B16R2.133 Cc1ccc(cc1)NC(=O)C2=CCOC2 1626a_100000124888_100000139269 [0,1,0,0,0,0|2,0,1]=4 88 B16R2.133 Cc1ccc(cc1)NC(=O)C2=CCOC2 22a_100000124888_100000139269 [0,1,0,0,0,0|2,0,1]=4 89 B16R2.133 Cc1ccc(cc1)NC(=O)C2=COCC2 1626a_100000124888_100000750620 [0,1,0,0,0,0|3,0,0]=4 90 B16R2.133 Cc1ccc(cc1)NC(=O)C2=COCC2 22a_100000124888_100000750620 [0,1,0,0,0,0|3,0,0]=4 91 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=CCCC2 11a_100000210018_100000038896 [0,1,0,0,0,0|2,0,1]=4 92 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=CCCC2 1626a_100000210018_100000038896 [0,1,0,0,0,0|2,0,1]=4 93 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=CCCC2 22a_100000210018_100000038896 [0,1,0,0,0,0|2,0,1]=4 94 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=CCOC2 11a_100000210018_100000139269 [0,1,0,0,0,0|2,0,1]=4 95 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=CCOC2 1626a_100000210018_100000139269 [0,1,0,0,0,0|2,0,1]=4 96 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=CCOC2 22a_100000210018_100000139269 [0,1,0,0,0,0|2,0,1]=4 97 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=COCC2 1626a_100000210018_100000750620 [0,1,0,0,0,0|3,0,0]=4 98 B16R2.133 O=C(Nc1ccc(cc1)Br)C2=COCC2 22a_100000210018_100000750620 [0,1,0,0,0,0|3,0,0]=4 99 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=CCCC2 11a_100000210052_100000038896 [0,1,0,0,0,0|2,0,1]=4 100 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=CCCC2 1626a_100000210052_100000038896 [0,1,0,0,0,0|2,0,1]=4 101 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=CCCC2 22a_100000210052_100000038896 [0,1,0,0,0,0|2,0,1]=4 102 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=CCOC2 11a_100000210052_100000139269 [0,1,0,0,0,0|2,0,1]=4 103 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=CCOC2 1626a_100000210052_100000139269 [0,1,0,0,0,0|2,0,1]=4 104 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=CCOC2 22a_100000210052_100000139269 [0,1,0,0,0,0|2,0,1]=4 105 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=COCC2 1626a_100000210052_100000750620 [0,1,0,0,0,0|3,0,0]=4 106 B16R2.133 O=C(Nc1ccc(cc1)Cl)C2=COCC2 22a_100000210052_100000750620 [0,1,0,0,0,0|3,0,0]=4 107 B16R2.133 O=C(Nc1ccc(cc1)F)C2=CCCC2 11a_100000185862_100000038896 [0,1,0,0,0,0|2,0,1]=4 108 B16R2.133 O=C(Nc1ccc(cc1)F)C2=CCCC2 1626a_100000185862_100000038896 [0,1,0,0,0,0|2,0,1]=4 109 B16R2.133 O=C(Nc1ccc(cc1)F)C2=CCCC2 22a_100000185862_100000038896 [0,1,0,0,0,0|2,0,1]=4 110 B16R2.133 O=C(Nc1ccc(cc1)F)C2=CCOC2 11a_100000185862_100000139269 [0,1,0,0,0,0|2,0,1]=4 111 B16R2.133 O=C(Nc1ccc(cc1)F)C2=CCOC2 1626a_100000185862_100000139269 [0,1,0,0,0,0|2,0,1]=4 112 B16R2.133 O=C(Nc1ccc(cc1)F)C2=CCOC2 22a_100000185862_100000139269 [0,1,0,0,0,0|2,0,1]=4 113 B16R2.133 O=C(Nc1ccc(cc1)F)C2=COCC2 1626a_100000185862_100000750620 [0,1,0,0,0,0|3,0,0]=4 114 B16R2.133 O=C(Nc1ccc(cc1)F)C2=COCC2 22a_100000185862_100000750620 [0,1,0,0,0,0|3,0,0]=4 115 B16R2.133 O=C(Nc1ccc(cc1)I)C2=CCCC2 11a_100000185761_100000038896 [0,1,0,0,0,0|2,0,1]=4 116 B16R2.133 O=C(Nc1ccc(cc1)I)C2=CCCC2 1626a_100000185761_100000038896 [0,1,0,0,0,0|2,0,1]=4 117 B16R2.133 O=C(Nc1ccc(cc1)I)C2=CCCC2 22a_100000185761_100000038896 [0,1,0,0,0,0|2,0,1]=4 118 B16R2.133 O=C(Nc1ccc(cc1)I)C2=CCOC2 11a_100000185761_100000139269 [0,1,0,0,0,0|2,0,1]=4 119 B16R2.133 O=C(Nc1ccc(cc1)I)C2=CCOC2 1626a_100000185761_100000139269 [0,1,0,0,0,0|2,0,1]=4 120 B16R2.133 O=C(Nc1ccc(cc1)I)C2=CCOC2 22a_100000185761_100000139269 [0,1,0,0,0,0|2,0,1]=4 121 B16R2.133 O=C(Nc1ccc(cc1)I)C2=COCC2 1626a_100000185761_100000750620 [0,1,0,0,0,0|3,0,0]=4 122 B16R2.133 O=C(Nc1ccc(cc1)I)C2=COCC2 22a_100000185761_100000750620 [0,1,0,0,0,0|3,0,0]=4 123 B16R2.133 O=C(Nc1ccc(cc1)O)C2=CCCC2 22a_100000185829_100000038896 [0,1,0,0,0,0|2,0,1]=4 124 B16R2.133 O=C(Nc1ccc(cc1)O)C2=CCOC2 22a_100000185829_100000139269 [0,1,0,0,0,0|2,0,1]=4 125 B16R2.133 O=C(Nc1ccc(cc1)O)C2=COCC2 22a_100000185829_100000750620 [0,1,0,0,0,0|3,0,0]=4 126 B16R2.253 C/C(=C\c1cc(ccn1)Cl)/c2cc[nH]n2 271570a_106741698533_100000062575 [0,1,0,0,0,0|3,0,0]=4 127 B16R2.253 Cc1cccc(c1)NC(=O)C2=CCCC2 11a_100000188690_100000038896 [0,1,0,0,0,0|2,0,1]=4 128 B16R2.253 Cc1cccc(c1)NC(=O)C2=CCCC2 1626a_100000188690_100000038896 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.253 Cc1cccc(c1)NC(=O)C2=CCCC2 22a_100000188690_100000038896 [0,1,0,0,0,0|2,0,1]=4 130 B16R2.253 Cc1cccc(c1)NC(=O)C2=CCOC2 11a_100000188690_100000139269 [0,1,0,0,0,0|2,0,1]=4 131 B16R2.253 Cc1cccc(c1)NC(=O)C2=CCOC2 1626a_100000188690_100000139269 [0,1,0,0,0,0|2,0,1]=4 132 B16R2.253 Cc1cccc(c1)NC(=O)C2=CCOC2 22a_100000188690_100000139269 [0,1,0,0,0,0|2,0,1]=4 133 B16R2.253 Cc1cccc(c1)NC(=O)C2=COCC2 1626a_100000188690_100000750620 [0,1,0,0,0,0|3,0,0]=4 134 B16R2.253 Cc1cccc(c1)NC(=O)C2=COCC2 22a_100000188690_100000750620 [0,1,0,0,0,0|3,0,0]=4 135 B16R2.253 O=C(Nc1cccc(c1)Br)C2=CCCC2 11a_100000210019_100000038896 [0,1,0,0,0,0|2,0,1]=4 136 B16R2.253 O=C(Nc1cccc(c1)Br)C2=CCCC2 1626a_100000210019_100000038896 [0,1,0,0,0,0|2,0,1]=4 137 B16R2.253 O=C(Nc1cccc(c1)Br)C2=CCCC2 22a_100000210019_100000038896 [0,1,0,0,0,0|2,0,1]=4 138 B16R2.253 O=C(Nc1cccc(c1)Br)C2=CCOC2 11a_100000210019_100000139269 [0,1,0,0,0,0|2,0,1]=4 139 B16R2.253 O=C(Nc1cccc(c1)Br)C2=CCOC2 1626a_100000210019_100000139269 [0,1,0,0,0,0|2,0,1]=4 140 B16R2.253 O=C(Nc1cccc(c1)Br)C2=CCOC2 22a_100000210019_100000139269 [0,1,0,0,0,0|2,0,1]=4 141 B16R2.253 O=C(Nc1cccc(c1)Br)C2=COCC2 1626a_100000210019_100000750620 [0,1,0,0,0,0|3,0,0]=4 142 B16R2.253 O=C(Nc1cccc(c1)Br)C2=COCC2 22a_100000210019_100000750620 [0,1,0,0,0,0|3,0,0]=4 143 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=CCCC2 11a_100000185859_100000038896 [0,1,0,0,0,0|2,0,1]=4 144 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=CCCC2 1626a_100000185859_100000038896 [0,1,0,0,0,0|2,0,1]=4 145 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=CCCC2 22a_100000185859_100000038896 [0,1,0,0,0,0|2,0,1]=4 146 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=CCOC2 11a_100000185859_100000139269 [0,1,0,0,0,0|2,0,1]=4 147 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=CCOC2 1626a_100000185859_100000139269 [0,1,0,0,0,0|2,0,1]=4 148 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=CCOC2 22a_100000185859_100000139269 [0,1,0,0,0,0|2,0,1]=4 149 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=COCC2 1626a_100000185859_100000750620 [0,1,0,0,0,0|3,0,0]=4 150 B16R2.253 O=C(Nc1cccc(c1)Cl)C2=COCC2 22a_100000185859_100000750620 [0,1,0,0,0,0|3,0,0]=4 151 B16R2.253 O=C(Nc1cccc(c1)F)C2=CCCC2 11a_100000210047_100000038896 [0,1,0,0,0,0|2,0,1]=4 152 B16R2.253 O=C(Nc1cccc(c1)F)C2=CCCC2 1626a_100000210047_100000038896 [0,1,0,0,0,0|2,0,1]=4 153 B16R2.253 O=C(Nc1cccc(c1)F)C2=CCCC2 22a_100000210047_100000038896 [0,1,0,0,0,0|2,0,1]=4 154 B16R2.253 O=C(Nc1cccc(c1)F)C2=CCOC2 11a_100000210047_100000139269 [0,1,0,0,0,0|2,0,1]=4 155 B16R2.253 O=C(Nc1cccc(c1)F)C2=CCOC2 1626a_100000210047_100000139269 [0,1,0,0,0,0|2,0,1]=4 156 B16R2.253 O=C(Nc1cccc(c1)F)C2=CCOC2 22a_100000210047_100000139269 [0,1,0,0,0,0|2,0,1]=4 157 B16R2.253 O=C(Nc1cccc(c1)F)C2=COCC2 1626a_100000210047_100000750620 [0,1,0,0,0,0|3,0,0]=4 158 B16R2.253 O=C(Nc1cccc(c1)F)C2=COCC2 22a_100000210047_100000750620 [0,1,0,0,0,0|3,0,0]=4 159 B16R2.253 O=C(Nc1cccc(c1)I)C2=CCCC2 11a_100000211102_100000038896 [0,1,0,0,0,0|2,0,1]=4 160 B16R2.253 O=C(Nc1cccc(c1)I)C2=CCCC2 1626a_100000211102_100000038896 [0,1,0,0,0,0|2,0,1]=4 161 B16R2.253 O=C(Nc1cccc(c1)I)C2=CCCC2 22a_100000211102_100000038896 [0,1,0,0,0,0|2,0,1]=4 162 B16R2.253 O=C(Nc1cccc(c1)I)C2=CCOC2 11a_100000211102_100000139269 [0,1,0,0,0,0|2,0,1]=4 163 B16R2.253 O=C(Nc1cccc(c1)I)C2=CCOC2 1626a_100000211102_100000139269 [0,1,0,0,0,0|2,0,1]=4 164 B16R2.253 O=C(Nc1cccc(c1)I)C2=CCOC2 22a_100000211102_100000139269 [0,1,0,0,0,0|2,0,1]=4 165 B16R2.253 O=C(Nc1cccc(c1)I)C2=COCC2 1626a_100000211102_100000750620 [0,1,0,0,0,0|3,0,0]=4 166 B16R2.253 O=C(Nc1cccc(c1)I)C2=COCC2 22a_100000211102_100000750620 [0,1,0,0,0,0|3,0,0]=4 167 B16R2.253 O=C(Nc1cccc(c1)O)C2=CCCC2 1626a_100000210217_100000038896 [0,1,0,0,0,0|2,0,1]=4 168 B16R2.253 O=C(Nc1cccc(c1)O)C2=CCCC2 22a_100000210217_100000038896 [0,1,0,0,0,0|2,0,1]=4 169 B16R2.253 O=C(Nc1cccc(c1)O)C2=CCOC2 1626a_100000210217_100000139269 [0,1,0,0,0,0|2,0,1]=4 170 B16R2.253 O=C(Nc1cccc(c1)O)C2=CCOC2 22a_100000210217_100000139269 [0,1,0,0,0,0|2,0,1]=4 171 B16R2.253 O=C(Nc1cccc(c1)O)C2=COCC2 1626a_100000210217_100000750620 [0,1,0,0,0,0|3,0,0]=4 172 B16R2.253 O=C(Nc1cccc(c1)O)C2=COCC2 22a_100000210217_100000750620 [0,1,0,0,0,0|3,0,0]=4 173 B16R2.2843 Cc1noc(n1)C(=O)Nc2ccccc2 270196a_100000212224_100000738435 [0,1,0,0,0,0|2,0,1]=4 174 B16R2.2843 O=C(Nc1ccccc1)c2ccc(o2)O 271570a_203496583355_100000153498 [0,1,0,0,0,0|2,0,0]=3 175 B16R2.2843 O=C1CC(=NN1)C(=O)Nc2ccccc2 22a_100000106764_200000752725 [0,1,0,0,0,0|0,0,1]=2 176 B16R2.2843 O=C1CC(=NN1)C(=O)Nc2ccccc2 527a_100000106764_200000752725 [0,1,0,0,0,0|0,0,1]=2 177 B16R2.2843 O=C1CC(CN1)C(=O)Nc2ccccc2 11a_100000106764_100000747279 [0,1,0,0,0,0|1,0,2]=4 178 B16R2.2843 O=C1CC(CN1)C(=O)Nc2ccccc2 1626a_100000106764_100000747279 [0,1,0,0,0,0|1,0,2]=4 179 B16R2.2843 O=C1CC(CN1)C(=O)Nc2ccccc2 22a_100000106764_100000747279 [0,1,0,0,0,0|1,0,2]=4 180 B16R2.2843 O=C1CC(CN1)C(=O)Nc2ccccc2 527a_100000106764_100000747279 [0,1,0,0,0,0|1,0,2]=4 181 B16R2.2843 O=C1CN(CN1)C(=O)Nc2ccccc2 2430a_100000106764_200000708111 [0,1,0,0,0,0|2,0,1]=4 182 B16R2.2843 O=C1NCC(N1)C(=O)Nc2ccccc2 11a_100000106764_100000033324 [0,1,0,0,0,0|2,0,1]=4 183 B16R2.2843 O=C1NCC(N1)C(=O)Nc2ccccc2 22a_100000106764_100000033324 [0,1,0,0,0,0|2,0,1]=4 184 B16R2.2957 Cc1ccccc1NC(=O)C2=CCCC2 11a_100015192222_100000038896 [0,1,0,0,0,0|2,0,1]=4 185 B16R2.2957 Cc1ccccc1NC(=O)C2=CCCC2 1626a_100015192222_100000038896 [0,1,0,0,0,0|2,0,1]=4 186 B16R2.2957 Cc1ccccc1NC(=O)C2=CCCC2 22a_100015192222_100000038896 [0,1,0,0,0,0|2,0,1]=4 187 B16R2.2957 Cc1ccccc1NC(=O)C2=CCOC2 11a_100015192222_100000139269 [0,1,0,0,0,0|2,0,1]=4 188 B16R2.2957 Cc1ccccc1NC(=O)C2=CCOC2 1626a_100015192222_100000139269 [0,1,0,0,0,0|2,0,1]=4 189 B16R2.2957 Cc1ccccc1NC(=O)C2=CCOC2 22a_100015192222_100000139269 [0,1,0,0,0,0|2,0,1]=4 190 B16R2.2957 Cc1ccccc1NC(=O)C2=COCC2 1626a_100015192222_100000750620 [0,1,0,0,0,0|3,0,0]=4 191 B16R2.2957 Cc1ccccc1NC(=O)C2=COCC2 22a_100015192222_100000750620 [0,1,0,0,0,0|3,0,0]=4 192 B16R2.2957 O=C(Nc1ccccc1Br)C2=CCCC2 11a_100000210017_100000038896 [0,1,0,0,0,0|2,0,1]=4 193 B16R2.2957 O=C(Nc1ccccc1Br)C2=CCCC2 1626a_100000210017_100000038896 [0,1,0,0,0,0|2,0,1]=4 194 B16R2.2957 O=C(Nc1ccccc1Br)C2=CCOC2 11a_100000210017_100000139269 [0,1,0,0,0,0|2,0,1]=4 195 B16R2.2957 O=C(Nc1ccccc1Br)C2=CCOC2 1626a_100000210017_100000139269 [0,1,0,0,0,0|2,0,1]=4 196 B16R2.2957 O=C(Nc1ccccc1Br)C2=COCC2 1626a_100000210017_100000750620 [0,1,0,0,0,0|3,0,0]=4 197 B16R2.2957 O=C(Nc1ccccc1Cl)C2=CCCC2 11a_100000185783_100000038896 [0,1,0,0,0,0|2,0,1]=4 198 B16R2.2957 O=C(Nc1ccccc1Cl)C2=CCCC2 1626a_100000185783_100000038896 [0,1,0,0,0,0|2,0,1]=4 199 B16R2.2957 O=C(Nc1ccccc1Cl)C2=CCCC2 22a_100000185783_100000038896 [0,1,0,0,0,0|2,0,1]=4 200 B16R2.2957 O=C(Nc1ccccc1Cl)C2=CCOC2 11a_100000185783_100000139269 [0,1,0,0,0,0|2,0,1]=4 201 B16R2.2957 O=C(Nc1ccccc1Cl)C2=CCOC2 1626a_100000185783_100000139269 [0,1,0,0,0,0|2,0,1]=4 202 B16R2.2957 O=C(Nc1ccccc1Cl)C2=CCOC2 22a_100000185783_100000139269 [0,1,0,0,0,0|2,0,1]=4 203 B16R2.2957 O=C(Nc1ccccc1Cl)C2=COCC2 1626a_100000185783_100000750620 [0,1,0,0,0,0|3,0,0]=4 204 B16R2.2957 O=C(Nc1ccccc1Cl)C2=COCC2 22a_100000185783_100000750620 [0,1,0,0,0,0|3,0,0]=4 205 B16R2.2957 O=C(Nc1ccccc1F)C2=CCCC2 11a_100000210422_100000038896 [0,1,0,0,0,0|2,0,1]=4 206 B16R2.2957 O=C(Nc1ccccc1F)C2=CCCC2 1626a_100000210422_100000038896 [0,1,0,0,0,0|2,0,1]=4 207 B16R2.2957 O=C(Nc1ccccc1F)C2=CCCC2 22a_100000210422_100000038896 [0,1,0,0,0,0|2,0,1]=4 208 B16R2.2957 O=C(Nc1ccccc1F)C2=CCOC2 11a_100000210422_100000139269 [0,1,0,0,0,0|2,0,1]=4 209 B16R2.2957 O=C(Nc1ccccc1F)C2=CCOC2 1626a_100000210422_100000139269 [0,1,0,0,0,0|2,0,1]=4 210 B16R2.2957 O=C(Nc1ccccc1F)C2=CCOC2 22a_100000210422_100000139269 [0,1,0,0,0,0|2,0,1]=4 211 B16R2.2957 O=C(Nc1ccccc1F)C2=COCC2 1626a_100000210422_100000750620 [0,1,0,0,0,0|3,0,0]=4 212 B16R2.2957 O=C(Nc1ccccc1F)C2=COCC2 22a_100000210422_100000750620 [0,1,0,0,0,0|3,0,0]=4 213 B16R2.2957 O=C(Nc1ccccc1I)C2=CCCC2 11a_100000210053_100000038896 [0,1,0,0,0,0|2,0,1]=4 214 B16R2.2957 O=C(Nc1ccccc1I)C2=CCCC2 1626a_100000210053_100000038896 [0,1,0,0,0,0|2,0,1]=4 215 B16R2.2957 O=C(Nc1ccccc1I)C2=CCOC2 11a_100000210053_100000139269 [0,1,0,0,0,0|2,0,1]=4 216 B16R2.2957 O=C(Nc1ccccc1I)C2=CCOC2 1626a_100000210053_100000139269 [0,1,0,0,0,0|2,0,1]=4 217 B16R2.2957 O=C(Nc1ccccc1I)C2=COCC2 1626a_100000210053_100000750620 [0,1,0,0,0,0|3,0,0]=4 218 B16R2.2957 O=C(Nc1ccccc1O)C2=CCCC2 22a_100000185747_100000038896 [0,1,0,0,0,0|2,0,1]=4 219 B16R2.2957 O=C(Nc1ccccc1O)C2=CCOC2 22a_100000185747_100000139269 [0,1,0,0,0,0|2,0,1]=4 220 B16R2.2957 O=C(Nc1ccccc1O)C2=COCC2 22a_100000185747_100000750620 [0,1,0,0,0,0|3,0,0]=4 221 B16R2.6780 CN(C(=O)C1=CCCC1)c2ccccc2 11a_100000210012_100000038896 [0,1,0,0,0,0|2,0,1]=4 222 B16R2.6780 CN(C(=O)C1=CCCC1)c2ccccc2 1626a_100000210012_100000038896 [0,1,0,0,0,0|2,0,1]=4 223 B16R2.6780 CN(C(=O)C1=CCCC1)c2ccccc2 22a_100000210012_100000038896 [0,1,0,0,0,0|2,0,1]=4 224 B16R2.6780 CN(C(=O)C1=CCOC1)c2ccccc2 11a_100000210012_100000139269 [0,1,0,0,0,0|2,0,1]=4 225 B16R2.6780 CN(C(=O)C1=CCOC1)c2ccccc2 1626a_100000210012_100000139269 [0,1,0,0,0,0|2,0,1]=4 226 B16R2.6780 CN(C(=O)C1=CCOC1)c2ccccc2 22a_100000210012_100000139269 [0,1,0,0,0,0|2,0,1]=4 227 B16R2.6780 CN(C(=O)C1=COCC1)c2ccccc2 1626a_100000210012_100000750620 [0,1,0,0,0,0|3,0,0]=4 228 B16R2.6780 CN(C(=O)C1=COCC1)c2ccccc2 22a_100000210012_100000750620 [0,1,0,0,0,0|3,0,0]=4 229 B16R2.12242 O=S(=O)(Nc1ccccc1)c2c[nH]cn2 20a_100000106764_100000754927 [0,1,0,0,0,0|3,0,0]=4 230 B16R2.12242 O=S(=O)(Nc1ccccc1)c2c[nH]cn2 232682a_100000106764_100000754927 [0,1,0,0,0,0|3,0,0]=4 231 B16R2.12242 O=S(=O)(Nc1ccccc1)c2ccco2 20a_100000106764_200000702926 [0,1,0,0,0,0|3,0,0]=4 232 B16R2.12242 O=S(=O)(Nc1ccccc1)c2ccco2 232682a_100000106764_200000702926 [0,1,0,0,0,0|3,0,0]=4 233 B16R2.12242 O=S(=O)(Nc1ccccc1)c2cccs2 20a_100000106764_100000205146 [0,1,0,0,0,0|3,0,0]=4 234 B16R2.12242 O=S(=O)(Nc1ccccc1)c2cccs2 232682a_100000106764_100000205146 [0,1,0,0,0,0|3,0,0]=4 235 B16R2.12242 O=S(=O)(Nc1ccccc1)c2ccsc2 20a_100000106764_100000756429 [0,1,0,0,0,0|3,0,0]=4 236 B16R2.12242 O=S(=O)(Nc1ccccc1)c2ccsc2 232682a_100000106764_100000756429 [0,1,0,0,0,0|3,0,0]=4 237 B16R2.12242 O=S(=O)(Nc1ccccc1)c2cn[nH]c2 20a_100000106764_100000742653 [0,1,0,0,0,0|3,0,0]=4 238 B16R2.12242 O=S(=O)(Nc1ccccc1)c2cn[nH]c2 232682a_100000106764_100000742653 [0,1,0,0,0,0|3,0,0]=4 239 B14R1.60 C=CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210623 [0,0,1,0,0,0|2,0,1]=4 240 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100016988807 [0,0,1,0,0,0|2,0,1]=4 241 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100016988807 [0,0,1,0,0,0|2,0,1]=4 242 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100016988807 [0,0,1,0,0,0|2,0,1]=4 243 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 527a_100000106764_100016988807 [0,0,1,0,0,0|2,0,1]=4 244 B14R1.60 CNNC(=O)C(=O)Nc1ccccc1 22a_100016993582_100000738435 [0,0,1,0,0,0|1,0,2]=4 245 B14R1.60 CO/N=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100160996864 [0,0,1,0,0,0|1,0,2]=4 246 B14R1.60 CO/N=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100160996864 [0,0,1,0,0,0|1,0,2]=4 247 B14R1.158 C/C=C/C=CC(=O)Cc1ccccc1 1458a_100000185730_100015291786 [0,0,1,0,0,0|3,0,0]=4 248 B14R1.158 C/C=C/C=CC(=O)Nc1ccccc1 11a_100000106764_100000185730 [0,0,1,0,0,0|2,0,0]=3 249 B14R1.158 C/C=C/C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185730 [0,0,1,0,0,0|2,0,0]=3 250 B14R1.158 C/C=C/C=CC(=O)Nc1ccccc1 22a_100000106764_100000185730 [0,0,1,0,0,0|2,0,0]=3 251 B14R1.158 C=CCCCC(=O)Nc1ccccc1 11a_100000106764_100000766728 [0,0,1,0,0,0|2,0,1]=4 252 B14R1.158 C=CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000766728 [0,0,1,0,0,0|2,0,1]=4 253 B14R1.158 C=CCCCC(=O)Nc1ccccc1 22a_100000106764_100000766728 [0,0,1,0,0,0|2,0,1]=4 254 B14R1.158 C=CCCCC(=O)Nc1ccccc1 527a_100000106764_100000766728 [0,0,1,0,0,0|2,0,1]=4 255 B14R1.158 C=CCCNC(=O)Nc1ccccc1 2430a_100000106764_100015191253 [0,0,1,0,0,0|3,0,0]=4 256 B14R1.158 C=CCNCC(=O)Nc1ccccc1 2230a_100020586998_100000182850 [0,0,1,0,0,0|1,0,2]=4 257 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_100000246334_100015514636 [0,0,1,0,0,0|2,0,1]=4 258 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_200000210373_100000182850 [0,0,1,0,0,0|2,0,1]=4 259 B14R1.158 C=CCSCC(=O)Nc1ccccc1 11a_100000106764_100000230395 [0,0,1,0,0,0|2,0,1]=4 260 B14R1.158 C=CCSCC(=O)Nc1ccccc1 1626a_100000106764_100000230395 [0,0,1,0,0,0|2,0,1]=4 261 B14R1.158 C=CCSCC(=O)Nc1ccccc1 22a_100000106764_100000230395 [0,0,1,0,0,0|2,0,1]=4 262 B14R1.158 C=CCSCC(=O)Nc1ccccc1 527a_100000106764_100000230395 [0,0,1,0,0,0|2,0,1]=4 263 B14R1.158 C=CCSCC(=O)Nc1ccccc1 62a_100000210623_100000182850 [0,0,1,0,0,0|2,0,1]=4 264 B14R1.158 C=CCSCC(=O)Nc1ccccc1 62a_100012148978_100000210623 [0,0,1,0,0,0|2,0,1]=4 265 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_100016274230 [0,0,1,0,0,0|2,0,1]=4 266 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_100016274230 [0,0,1,0,0,0|2,0,1]=4 267 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_100016274230 [0,0,1,0,0,0|2,0,1]=4 268 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 527a_100000106764_100016274230 [0,0,1,0,0,0|2,0,1]=4 269 B14R1.158 CCCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212230 [0,0,1,0,0,0|2,0,1]=4 270 B14R1.158 CCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212230 [0,0,1,0,0,0|2,0,1]=4 271 B14R1.158 CCCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212230 [0,0,1,0,0,0|2,0,1]=4 272 B14R1.158 CCOC=CC(=O)Nc1ccccc1 11a_100000106764_100016266692 [0,0,1,0,0,0|3,0,0]=4 273 B14R1.158 CCOC=CC(=O)Nc1ccccc1 1626a_100000106764_100016266692 [0,0,1,0,0,0|3,0,0]=4 274 B14R1.158 CCOC=CC(=O)Nc1ccccc1 22a_100000106764_100016266692 [0,0,1,0,0,0|3,0,0]=4 275 B14R1.158 COCC=CC(=O)Nc1ccccc1 11a_100000106764_100016285016 [0,0,1,0,0,0|2,0,1]=4 276 B14R1.158 COCC=CC(=O)Nc1ccccc1 1626a_100000106764_100016285016 [0,0,1,0,0,0|2,0,1]=4 277 B14R1.158 COCC=CC(=O)Nc1ccccc1 22a_100000106764_100016285016 [0,0,1,0,0,0|2,0,1]=4 278 B14R1.169 C=CCCC=NNC(=O)c1cc[nH]n1 4a_100011273208_100011216789 [0,0,1,0,0,0|1,0,2]=4 279 B14R1.169 CCC=CC=NNC(=O)c1cc[nH]n1 4a_100011273208_100011216943 [0,0,1,0,0,0|1,0,2]=4 280 B16R3.5925 C1=C(Cc2c1cccc2)c3cc[nH]n3 271570a_100010239756_100000062575 [0,0,0,1,0,0|2,0,0]=3 281 B16R3.5925 C1=C(Cc2c1cccc2)c3ccsn3 271570a_100010239756_100009818082 [0,0,0,1,0,0|3,0,0]=4 282 B16R3.5925 C1=C(Cc2c1cccc2)c3nc[nH]n3 271570a_100010239756_100000761765 [0,0,0,1,0,0|3,0,0]=4 283 B16R3.5925 c1ccc2[nH]c(cc2c1)c3c[nH]cn3 271570a_100010206980_100000756875 [0,0,0,1,0,0|3,0,0]=4 284 B16R3.5925 c1ccc2[nH]c(cc2c1)c3cc[nH]c3 271570a_100000102155_100010232065 [0,0,0,1,0,0|2,0,0]=3 285 B16R3.5925 c1ccc2[nH]c(cc2c1)c3cc[nH]n3 271570a_100000062414_100010232065 [0,0,0,1,0,0|1,0,0]=2 286 B16R3.5925 c1ccc2[nH]c(cc2c1)c3cc[nH]n3 271570a_100010206980_100000062575 [0,0,0,1,0,0|1,0,0]=2 287 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ccoc3 271570a_100010206980_100011215275 [0,0,0,1,0,0|3,0,0]=4 288 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ccoc3 271570a_100011218838_100010232065 [0,0,0,1,0,0|3,0,0]=4 289 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ccsc3 271570a_100010206980_100000738268 [0,0,0,1,0,0|3,0,0]=4 290 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ccsc3 271570a_100011934443_100010232065 [0,0,0,1,0,0|3,0,0]=4 291 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ccsn3 271570a_100010206980_100009818082 [0,0,0,1,0,0|2,0,0]=3 292 B16R3.5925 c1ccc2[nH]c(cc2c1)c3cn[nH]c3 271570a_100000041997_100010232065 [0,0,0,1,0,0|3,0,0]=4 293 B16R3.5925 c1ccc2[nH]c(cc2c1)c3cn[nH]c3 271570a_100010206980_100000238712 [0,0,0,1,0,0|3,0,0]=4 294 B16R3.5925 c1ccc2[nH]c(cc2c1)c3cscn3 271570a_100010206980_100000751502 [0,0,0,1,0,0|3,0,0]=4 295 B16R3.5925 c1ccc2[nH]c(cc2c1)c3nc[nH]n3 271570a_100010206980_100000761765 [0,0,0,1,0,0|2,0,0]=3 296 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ncc[nH]3 271570a_100010206980_100025796157 [0,0,0,1,0,0|3,0,0]=4 297 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ncc[nH]3 271570a_100016988920_100010232065 [0,0,0,1,0,0|3,0,0]=4 298 B16R3.5925 c1ccc2[nH]c(cc2c1)c3ncco3 271570a_100010206980_100011787736 [0,0,0,1,0,0|3,0,0]=4 299 B16R3.5925 c1ccc2[nH]c(cc2c1)c3nccs3 271570a_100010206980_100000211983 [0,0,0,1,0,0|3,0,0]=4 300 B16R3.5925 c1ccc2[nH]c(cc2c1)c3nncs3 271570a_100010206980_100000739804 [0,0,0,1,0,0|2,0,1]=4 301 B16R3.5925 c1ccc2[nH]c(nc2c1)c3cc[nH]c3 271570a_100000102155_100009814255 [0,0,0,1,0,0|2,0,0]=3 302 B16R3.5925 c1ccc2[nH]c(nc2c1)c3cc[nH]n3 271570a_100000062414_100009814255 [0,0,0,1,0,0|1,0,0]=2 303 B16R3.5925 c1ccc2[nH]c(nc2c1)c3ccoc3 271570a_100011218838_100009814255 [0,0,0,1,0,0|3,0,0]=4 304 B16R3.5925 c1ccc2[nH]c(nc2c1)c3ccsc3 271570a_100011934443_100009814255 [0,0,0,1,0,0|3,0,0]=4 305 B16R3.5925 c1ccc2[nH]c(nc2c1)c3cn[nH]c3 271570a_100000041997_100009814255 [0,0,0,1,0,0|3,0,0]=4 306 B16R3.5925 c1ccc2[nH]c(nc2c1)c3ncc[nH]3 271570a_100016988920_100009814255 [0,0,0,1,0,0|3,0,0]=4 307 B16R3.5925 c1ccc2oc(cc2c1)c3cc[nH]c3 271570a_100000102155_100010159458 [0,0,0,1,0,0|2,0,1]=4 308 B16R3.5925 c1ccc2oc(cc2c1)c3cc[nH]n3 271570a_100000062414_100010159458 [0,0,0,1,0,0|1,0,1]=3 309 B16R3.5925 c1ccc2oc(cc2c1)c3cc[nH]n3 271570a_100011328764_100000062575 [0,0,0,1,0,0|1,0,1]=3 310 B16R3.5925 c1ccc2oc(cc2c1)c3ccsn3 271570a_100011328764_100009818082 [0,0,0,1,0,0|2,0,1]=4 311 B16R3.5925 c1ccc2oc(cc2c1)c3nc[nH]n3 271570a_100011328764_100000761765 [0,0,0,1,0,0|2,0,1]=4 312 B16R3.5925 c1ccc2sc(cc2c1)c3cc[nH]c3 271570a_100000102155_100009816949 [0,0,0,1,0,0|2,1,0]=4 313 B16R3.5925 c1ccc2sc(cc2c1)c3cc[nH]n3 271570a_100000034353_100000062575 [0,0,0,1,0,0|1,1,0]=3 314 B16R3.5925 c1ccc2sc(cc2c1)c3cc[nH]n3 271570a_100000062414_100009816949 [0,0,0,1,0,0|1,1,0]=3 315 B16R3.5925 c1ccc2sc(cc2c1)c3ccsn3 271570a_100000034353_100009818082 [0,0,0,1,0,0|2,1,0]=4 316 B16R3.5925 c1ccc2sc(cc2c1)c3nc[nH]n3 271570a_100000034353_100000761765 [0,0,0,1,0,0|2,1,0]=4 317 B16R3.5925 c1ccc2sc(nc2c1)c3cc[nH]c3 271570a_100000102155_100000751744 [0,0,0,1,0,0|1,1,1]=4 318 B16R3.5925 c1ccc2sc(nc2c1)c3cc[nH]n3 271570a_100000062414_100000751744 [0,0,0,1,0,0|0,1,1]=3 319 B16R3.5925 c1ccc2sc(nc2c1)c3cc[nH]n3 271570a_200000082171_100000062575 [0,0,0,1,0,0|0,1,1]=3 320 B16R3.5925 c1ccc2sc(nc2c1)c3ccsn3 271570a_200000082171_100009818082 [0,0,0,1,0,0|1,1,1]=4 321 B16R3.5925 c1ccc2sc(nc2c1)c3nc[nH]n3 271570a_200000082171_100000761765 [0,0,0,1,0,0|1,1,1]=4 322 B16R3.5925 c1ccn2cc(nc2c1)c3cc[nH]n3 271570a_100000062414_100009819586 [0,0,0,1,0,0|2,0,1]=4 323 B16R3.5925 c1cnc2[nH]c(cc2c1)c3cc[nH]c3 271570a_100000102155_100010079843 [0,0,0,1,0,0|3,0,0]=4 324 B16R3.5925 c1cnc2[nH]c(cc2c1)c3cc[nH]n3 271570a_100000062414_100010079843 [0,0,0,1,0,0|2,0,0]=3 325 B16R3.5925 c1cnc2sc(nc2c1)c3cc[nH]n3 271570a_100000062414_100010188088 [0,0,0,1,0,0|1,1,1]=4 326 B16R3.5925 c1coc(c1)c2cc3ccccc3[nH]2 271570a_100000750936_100010232065 [0,0,0,1,0,0|3,0,0]=4 327 B16R3.5925 c1coc(c1)c2cc3ccccc3[nH]2 271570a_100010206980_100009814098 [0,0,0,1,0,0|3,0,0]=4 328 B16R3.5925 c1coc(c1)c2nc3ccccc3[nH]2 271570a_100000750936_100009814255 [0,0,0,1,0,0|3,0,0]=4 329 B16R3.5925 c1csc(c1)c2cc3ccccc3[nH]2 271570a_100000742291_100010232065 [0,0,0,1,0,0|3,0,0]=4 330 B16R3.5925 c1csc(c1)c2cc3ccccc3[nH]2 271570a_100010206980_100011215356 [0,0,0,1,0,0|3,0,0]=4 331 B16R3.5925 c1csc(c1)c2nc3ccccc3[nH]2 271570a_100000742291_100009814255 [0,0,0,1,0,0|3,0,0]=4 332 B14R2.114 C=C(c1ccccc1)c2c[nH]cn2 271570a_100000068269_100000756875 [0,0,0,0,1,0|3,0,0]=4 333 B14R2.114 C=C(c1ccccc1)c2cc[nH]n2 271570a_100000068269_100000062575 [0,0,0,0,1,0|1,0,0]=2 334 B14R2.114 C=C(c1ccccc1)c2ccco2 271570a_100000068269_100009814098 [0,0,0,0,1,0|3,0,0]=4 335 B14R2.114 C=C(c1ccccc1)c2cccs2 271570a_100000068269_100011215356 [0,0,0,0,1,0|3,0,0]=4 336 B14R2.114 C=C(c1ccccc1)c2ccoc2 271570a_100000068269_100011215275 [0,0,0,0,1,0|3,0,0]=4 337 B14R2.114 C=C(c1ccccc1)c2ccsc2 271570a_100000068269_100000738268 [0,0,0,0,1,0|3,0,0]=4 338 B14R2.114 C=C(c1ccccc1)c2ccsn2 271570a_100000068269_100009818082 [0,0,0,0,1,0|2,0,0]=3 339 B14R2.114 C=C(c1ccccc1)c2cn[nH]c2 271570a_100000068269_100000238712 [0,0,0,0,1,0|3,0,0]=4 340 B14R2.114 C=C(c1ccccc1)c2cscn2 271570a_100000068269_100000751502 [0,0,0,0,1,0|3,0,0]=4 341 B14R2.114 C=C(c1ccccc1)c2nc[nH]n2 271570a_100000068269_100000761765 [0,0,0,0,1,0|2,0,0]=3 342 B14R2.114 C=C(c1ccccc1)c2ncc[nH]2 271570a_100000068269_100025796157 [0,0,0,0,1,0|3,0,0]=4 343 B14R2.114 C=C(c1ccccc1)c2ncco2 271570a_100000068269_100011787736 [0,0,0,0,1,0|3,0,0]=4 344 B14R2.114 C=C(c1ccccc1)c2nccs2 271570a_100000068269_100000211983 [0,0,0,0,1,0|3,0,0]=4 345 B14R2.114 C=C(c1ccccc1)c2nncs2 271570a_100000068269_100000739804 [0,0,0,0,1,0|2,0,1]=4 346 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 1458a_100000185807_100015291786 [0,0,0,0,0,1|3,0,0]=4 347 B16R2.88 O=C(Nc1ccccc1)C2=CCCCC2 11a_100000106764_100000765259 [0,0,0,0,0,1|2,0,1]=4 348 B16R2.88 O=C(Nc1ccccc1)C2=CCCCC2 1626a_100000106764_100000765259 [0,0,0,0,0,1|2,0,1]=4 349 B16R2.88 O=C(Nc1ccccc1)C2=CCCCC2 22a_100000106764_100000765259 [0,0,0,0,0,1|2,0,1]=4 350 B16R2.88 O=C(Nc1ccccc1)C2=CCCCC2 527a_100000106764_100000765259 [0,0,0,0,0,1|2,0,1]=4 351 B16R2.88 O=C(Nc1ccccc1)C2=CCCCO2 11a_100000106764_100000764163 [0,0,0,0,0,1|2,0,1]=4 352 B16R2.88 O=C(Nc1ccccc1)C2=CCCCO2 1626a_100000106764_100000764163 [0,0,0,0,0,1|2,0,1]=4 353 B16R2.88 O=C(Nc1ccccc1)C2=CCCCO2 22a_100000106764_100000764163 [0,0,0,0,0,1|2,0,1]=4 354 B16R2.88 O=C(Nc1ccccc1)C2=CCCCO2 527a_100000106764_100000764163 [0,0,0,0,0,1|2,0,1]=4 355 B16R2.88 O=C(Nc1ccccc1)C2=COCCC2 1626a_100000106764_100000749935 [0,0,0,0,0,1|2,0,1]=4 356 B16R2.88 O=C(Nc1ccccc1)C2=COCCC2 22a_100000106764_100000749935 [0,0,0,0,0,1|2,0,1]=4 357 B16R2.88 O=C(Nc1ccccc1)C2=COCCC2 527a_100000106764_100000749935 [0,0,0,0,0,1|2,0,1]=4 358 B16R2.88 O=C(Nc1ccccc1)C2=COCCO2 11a_100000106764_100000008702 [0,0,0,0,0,1|2,0,1]=4 359 B16R2.88 O=C(Nc1ccccc1)C2=COCCO2 1626a_100000106764_100000008702 [0,0,0,0,0,1|2,0,1]=4 360 B16R2.88 O=C(Nc1ccccc1)C2=COCCO2 22a_100000106764_100000008702 [0,0,0,0,0,1|2,0,1]=4 361 B16R2.88 O=C(Nc1ccccc1)C2=COCCO2 527a_100000106764_100000008702 [0,0,0,0,0,1|2,0,1]=4 362 B16R2.88 O=C(Nc1ccccc1)N2CC=CCC2 2430a_100000106764_100000698166 [0,0,0,0,0,1|3,0,0]=4 363 B16R2.88 O=C(Nc1ccccc1)[C@H]2CC=CCC2 11a_100000106764_100009820709 [0,0,0,0,0,1|2,0,1]=4 364 B16R2.88 O=C(Nc1ccccc1)[C@H]2CC=CCC2 1626a_100000106764_100009820709 [0,0,0,0,0,1|2,0,1]=4 365 B16R2.88 O=C(Nc1ccccc1)[C@H]2CC=CCC2 22a_100000106764_100009820709 [0,0,0,0,0,1|2,0,1]=4 366 B16R2.88 O=C(Nc1ccccc1)[C@H]2CC=CCC2 527a_100000106764_100009820709 [0,0,0,0,0,1|2,0,1]=4 367 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 11a_100000106764_100000185807 [0,0,0,0,0,1|2,0,0]=3 368 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 1626a_100000106764_100000185807 [0,0,0,0,0,1|2,0,0]=3 369 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 22a_100000106764_100000185807 [0,0,0,0,0,1|2,0,0]=3 370 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 527a_100000106764_100000185807 [0,0,0,0,0,1|2,0,0]=3 371 B16R2.524 CC(Cc1ccccc1)Sc2cc[nH]n2 62a_100000062575_200011218536 [0,0,0,0,0,1|2,0,1]=4 372 B16R2.524 CC(Cc1ccccc1)Sc2cc[nH]n2 62a_200011218536_100000062575 [0,0,0,0,0,1|2,0,1]=4 373 B16R2.524 CN(Cc1ccccc1)Cc2cc[nH]n2 270004a_100000186898_100000738523 [0,0,0,0,0,1|3,0,0]=4 374 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 11a_100000106764_100000050221 [0,0,0,0,0,1|2,0,1]=4 375 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 1626a_100000106764_100000050221 [0,0,0,0,0,1|2,0,1]=4 376 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 22a_100000106764_100000050221 [0,0,0,0,0,1|2,0,1]=4 377 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 527a_100000106764_100000050221 [0,0,0,0,0,1|2,0,1]=4 378 B16R2.524 O=C(CC1C=CCC1)Nc2ccccc2 11a_100000106764_100000212241 [0,0,0,0,0,1|2,0,1]=4 379 B16R2.524 O=C(CC1C=CCC1)Nc2ccccc2 1626a_100000106764_100000212241 [0,0,0,0,0,1|2,0,1]=4 380 B16R2.524 O=C(CC1C=CCC1)Nc2ccccc2 22a_100000106764_100000212241 [0,0,0,0,0,1|2,0,1]=4 381 B16R2.524 O=C(CC1C=CCC1)Nc2ccccc2 527a_100000106764_100000212241 [0,0,0,0,0,1|2,0,1]=4 382 B16R2.524 O=C(Cc1c[nH]cn1)Nc2ccccc2 22a_100000106764_100015291406 [0,0,0,0,0,1|2,0,0]=3 383 B16R2.524 O=C(Cc1ccc[nH]1)Nc2ccccc2 11a_100000106764_100000238377 [0,0,0,0,0,1|1,0,1]=3 384 B16R2.524 O=C(Cc1ccc[nH]1)Nc2ccccc2 22a_100000106764_100000238377 [0,0,0,0,0,1|1,0,1]=3 385 B16R2.524 O=C(Cc1ccc[nH]1)Nc2ccccc2 527a_100000106764_100000238377 [0,0,0,0,0,1|1,0,1]=3 386 B16R2.524 O=C(Cc1ccccc1)Cc2c[nH]cn2 1458a_100015291406_100015291786 [0,0,0,0,0,1|3,0,0]=4 387 B16R2.524 O=C(Cc1ccccc1)Cc2ccc[nH]2 1458a_100000238377_100015291786 [0,0,0,0,0,1|2,0,1]=4 388 B16R2.524 O=C(Cc1ccccc1)Cc2ccco2 1458a_100011217309_100015291786 [0,0,0,0,0,1|3,0,0]=4 389 B16R2.524 O=C(Cc1ccccc1)Cc2cccs2 1458a_100000210189_100015291786 [0,0,0,0,0,1|3,0,0]=4 390 B16R2.524 O=C(Cc1ccccc1)Cc2ccn[nH]2 1458a_100000752941_100015291786 [0,0,0,0,0,1|1,0,2]=4 391 B16R2.524 O=C(Cc1ccccc1)Cc2ccoc2 1458a_100000684892_100015291786 [0,0,0,0,0,1|3,0,0]=4 392 B16R2.524 O=C(Cc1ccccc1)Cc2ccsc2 1458a_100000184062_100015291786 [0,0,0,0,0,1|3,0,0]=4 393 B16R2.524 O=C(Cc1ccccc1)Cc2cscn2 1458a_100011438297_100015291786 [0,0,0,0,0,1|3,0,0]=4 394 B16R2.524 O=C(Cc1ccccc1)Cn2cccn2 1458a_100000233772_100015291786 [0,0,0,0,0,1|3,0,0]=4 395 B16R2.524 O=C(Cc1ccccc1)Cn2ccnn2 1458a_100000080816_100015291786 [0,0,0,0,0,1|2,0,1]=4 396 B16R2.524 O=C(Cc1ccccn1)Cc2ccon2 1458a_100000233486_100000234950 [0,0,0,0,0,1|3,0,0]=4 397 B16R2.524 O=C(Cc1cccnc1)Cc2ccon2 1458a_100000737805_100000234950 [0,0,0,0,0,1|3,0,0]=4 398 B16R2.524 O=C(Cc1ccco1)Nc2ccccc2 11a_100000106764_100011217309 [0,0,0,0,0,1|2,0,0]=3 399 B16R2.524 O=C(Cc1ccco1)Nc2ccccc2 22a_100000106764_100011217309 [0,0,0,0,0,1|2,0,0]=3 400 B16R2.524 O=C(Cc1ccco1)Nc2ccccc2 527a_100000106764_100011217309 [0,0,0,0,0,1|2,0,0]=3 401 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 11a_100000106764_100000210189 [0,0,0,0,0,1|2,0,0]=3 402 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 1626a_100000106764_100000210189 [0,0,0,0,0,1|2,0,0]=3 403 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 22a_100000106764_100000210189 [0,0,0,0,0,1|2,0,0]=3 404 B16R2.524 O=C(Cc1ccn[nH]1)Nc2ccccc2 11a_100000106764_100000752941 [0,0,0,0,0,1|0,0,2]=3 405 B16R2.524 O=C(Cc1ccn[nH]1)Nc2ccccc2 1626a_100000106764_100000752941 [0,0,0,0,0,1|0,0,2]=3 406 B16R2.524 O=C(Cc1ccn[nH]1)Nc2ccccc2 22a_100000106764_100000752941 [0,0,0,0,0,1|0,0,2]=3 407 B16R2.524 O=C(Cc1ccn[nH]1)Nc2ccccc2 527a_100000106764_100000752941 [0,0,0,0,0,1|0,0,2]=3 408 B16R2.524 O=C(Cc1ccoc1)Nc2ccccc2 11a_100000106764_100000684892 [0,0,0,0,0,1|2,0,0]=3 409 B16R2.524 O=C(Cc1ccoc1)Nc2ccccc2 1626a_100000106764_100000684892 [0,0,0,0,0,1|2,0,0]=3 410 B16R2.524 O=C(Cc1ccoc1)Nc2ccccc2 22a_100000106764_100000684892 [0,0,0,0,0,1|2,0,0]=3 411 B16R2.524 O=C(Cc1ccoc1)Nc2ccccc2 527a_100000106764_100000684892 [0,0,0,0,0,1|2,0,0]=3 412 B16R2.524 O=C(Cc1ccon1)C[n+]2ccccc2 1458a_200000086051_100000234950 [0,0,0,0,0,1|3,0,0]=4 413 B16R2.524 O=C(Cc1ccsc1)Nc2ccccc2 11a_100000106764_100000184062 [0,0,0,0,0,1|2,0,0]=3 414 B16R2.524 O=C(Cc1ccsc1)Nc2ccccc2 1626a_100000106764_100000184062 [0,0,0,0,0,1|2,0,0]=3 415 B16R2.524 O=C(Cc1ccsc1)Nc2ccccc2 22a_100000106764_100000184062 [0,0,0,0,0,1|2,0,0]=3 416 B16R2.524 O=C(Cc1ccsc1)Nc2ccccc2 527a_100000106764_100000184062 [0,0,0,0,0,1|2,0,0]=3 417 B16R2.524 O=C(Cc1cscn1)Nc2ccccc2 11a_100000106764_100011438297 [0,0,0,0,0,1|2,0,0]=3 418 B16R2.524 O=C(Cc1cscn1)Nc2ccccc2 1626a_100000106764_100011438297 [0,0,0,0,0,1|2,0,0]=3 419 B16R2.524 O=C(Cc1cscn1)Nc2ccccc2 22a_100000106764_100011438297 [0,0,0,0,0,1|2,0,0]=3 420 B16R2.524 O=C(Cc1cscn1)Nc2ccccc2 527a_100000106764_100011438297 [0,0,0,0,0,1|2,0,0]=3 421 B16R2.524 O=C(Cn1cccc1)Nc2ccccc2 11a_100000106764_100011196272 [0,0,0,0,0,1|3,0,0]=4 422 B16R2.524 O=C(Cn1cccc1)Nc2ccccc2 1626a_100000106764_100011196272 [0,0,0,0,0,1|3,0,0]=4 423 B16R2.524 O=C(Cn1cccc1)Nc2ccccc2 22a_100000106764_100011196272 [0,0,0,0,0,1|3,0,0]=4 424 B16R2.524 O=C(Cn1cccc1)Nc2ccccc2 527a_100000106764_100011196272 [0,0,0,0,0,1|3,0,0]=4 425 B16R2.524 O=C(Cn1cccn1)Nc2ccccc2 11a_100000106764_100000233772 [0,0,0,0,0,1|2,0,0]=3 426 B16R2.524 O=C(Cn1cccn1)Nc2ccccc2 1626a_100000106764_100000233772 [0,0,0,0,0,1|2,0,0]=3 427 B16R2.524 O=C(Cn1cccn1)Nc2ccccc2 22a_100000106764_100000233772 [0,0,0,0,0,1|2,0,0]=3 428 B16R2.524 O=C(Cn1cccn1)Nc2ccccc2 527a_100000106764_100000233772 [0,0,0,0,0,1|2,0,0]=3 429 B16R2.524 O=C(Cn1ccnc1)Nc2ccccc2 11a_100000106764_100000739072 [0,0,0,0,0,1|2,0,1]=4 430 B16R2.524 O=C(Cn1ccnc1)Nc2ccccc2 1626a_100000106764_100000739072 [0,0,0,0,0,1|2,0,1]=4 431 B16R2.524 O=C(Cn1ccnc1)Nc2ccccc2 22a_100000106764_100000739072 [0,0,0,0,0,1|2,0,1]=4 432 B16R2.524 O=C(Cn1ccnn1)Nc2ccccc2 11a_100000106764_100000080816 [0,0,0,0,0,1|1,0,1]=3 433 B16R2.524 O=C(Cn1ccnn1)Nc2ccccc2 1626a_100000106764_100000080816 [0,0,0,0,0,1|1,0,1]=3 434 B16R2.524 O=C(Cn1ccnn1)Nc2ccccc2 22a_100000106764_100000080816 [0,0,0,0,0,1|1,0,1]=3 435 B16R2.524 O=C(Cn1cncn1)Nc2ccccc2 11a_100000106764_100000699347 [0,0,0,0,0,1|3,0,0]=4 436 B16R2.524 O=C(Cn1cncn1)Nc2ccccc2 1626a_100000106764_100000699347 [0,0,0,0,0,1|3,0,0]=4 437 B16R2.524 O=C(Cn1cncn1)Nc2ccccc2 22a_100000106764_100000699347 [0,0,0,0,0,1|3,0,0]=4 438 B16R2.524 O=C(Cn1cnnn1)Nc2ccccc2 11a_100000106764_200000211644 [0,0,0,0,0,1|2,0,1]=4 439 B16R2.524 O=C(Cn1cnnn1)Nc2ccccc2 1626a_100000106764_200000211644 [0,0,0,0,0,1|2,0,1]=4 440 B16R2.524 O=C(Cn1cnnn1)Nc2ccccc2 22a_100000106764_200000211644 [0,0,0,0,0,1|2,0,1]=4 441 B16R2.524 O=C(Cn1nccn1)Nc2ccccc2 11a_100000106764_100000080817 [0,0,0,0,0,1|3,0,0]=4 442 B16R2.524 O=C(Cn1nccn1)Nc2ccccc2 1626a_100000106764_100000080817 [0,0,0,0,0,1|3,0,0]=4 443 B16R2.524 O=C(Cn1nccn1)Nc2ccccc2 22a_100000106764_100000080817 [0,0,0,0,0,1|3,0,0]=4 444 B16R2.524 O=C(Cn1nccn1)Nc2ccccc2 527a_100000106764_100000080817 [0,0,0,0,0,1|3,0,0]=4 445 B16R2.524 O=C(Nc1ccccc1)NC2C=CN=N2 2430a_100000106764_100134613517 [0,0,0,0,0,1|0,0,2]=3 446 B16R2.2238 CC(=NNc1ccccc1)c2c[nH]cn2 4a_100015195140_100011246050 [0,0,0,0,0,1|3,0,0]=4 447 B16R2.2238 CC(=NNc1ccccc1)c2cc[nH]c2 4a_100015195140_100000753940 [0,0,0,0,0,1|2,0,0]=3 448 B16R2.2238 CC(=NNc1ccccc1)c2ccc[nH]2 4a_100015195140_100000183661 [0,0,0,0,0,1|2,0,1]=4 449 B16R2.2238 CC(=NNc1ccccc1)c2ccco2 4a_100015195140_100000210965 [0,0,0,0,0,1|3,0,0]=4 450 B16R2.2238 CC(=NNc1ccccc1)c2cccs2 4a_100015195140_100000185736 [0,0,0,0,0,1|3,0,0]=4 451 B16R2.2238 CC(=NNc1ccccc1)c2ccn[nH]2 4a_100015195140_100000747476 [0,0,0,0,0,1|1,0,2]=4 452 B16R2.2238 CC(=NNc1ccccc1)c2ccno2 4a_100015195140_100009863766 [0,0,0,0,0,1|2,0,1]=4 453 B16R2.2238 CC(=NNc1ccccc1)c2ccsc2 4a_100015195140_100000747891 [0,0,0,0,0,1|3,0,0]=4 454 B16R2.2238 CC(=NNc1ccccc1)c2cn[nH]c2 4a_100015195140_100000725364 [0,0,0,0,0,1|3,0,0]=4 455 B16R2.2238 CC(=NNc1ccccc1)c2cocn2 4a_100015195140_100009869376 [0,0,0,0,0,1|3,0,0]=4 456 B16R2.2238 CC(=NNc1ccccc1)c2cscn2 4a_100015195140_100000693406 [0,0,0,0,0,1|3,0,0]=4 457 B16R2.2238 CC(=NNc1ccccc1)c2ncc[nH]2 4a_100015195140_100000718901 [0,0,0,0,0,1|3,0,0]=4 458 B16R2.2238 CC(=NNc1ccccc1)c2nccs2 4a_100015195140_100011217876 [0,0,0,0,0,1|3,0,0]=4 459 B16R2.2238 CC(=NNc1ccccn1)c2cc[nH]c2 4a_100000183288_100000753940 [0,0,0,0,0,1|3,0,0]=4 460 B16R2.2238 CC(=NNc1cccnc1)c2cc[nH]c2 4a_100000728903_100000753940 [0,0,0,0,0,1|3,0,0]=4 461 B16R2.2238 CC(=NNc1ccncc1)c2cc[nH]c2 4a_100000698918_100000753940 [0,0,0,0,0,1|3,0,0]=4 462 B16R2.2238 CC(NCc1ccccc1)c2cc[nH]c2 269862a_100015324214_100000753940 [0,0,0,0,0,1|2,0,1]=4 463 B16R2.2238 O=C(CNc1ccccc1)c2ccsc2 34a_100000106764_100011219462 [0,0,0,0,0,1|2,0,0]=3 464 B16R2.2238 O=C(COc1ccccc1)c2ccc[nH]2 7a_100000210340_200011262396 [0,0,0,0,0,1|2,0,1]=4 465 B16R2.2238 O=C(COc1ccccc1)c2ccco2 7a_100000210340_100000211439 [0,0,0,0,0,1|3,0,0]=4 466 B16R2.2238 O=C(COc1ccccc1)c2cccs2 7a_100000210340_100000211436 [0,0,0,0,0,1|3,0,0]=4 467 B16R2.2238 O=C(COc1ccccc1)c2ccsc2 34a_100000210340_100011219462 [0,0,0,0,0,1|3,0,0]=4 468 B16R2.2238 O=C(COc1ccccc1)c2ccsc2 7a_100000210340_100011219462 [0,0,0,0,0,1|3,0,0]=4 469 B16R2.2238 O=C(COc1ccccc1)c2nccs2 7a_100000210340_100000718653 [0,0,0,0,0,1|3,0,0]=4 470 B16R2.2238 O=C(COc1ccccc1)n2cccn2 7a_100000210340_100000077511 [0,0,0,0,0,1|3,0,0]=4 471 B16R2.2238 O=C(CSc1ccccc1)c2ccc[nH]2 62a_100000719477_200011262396 [0,0,0,0,0,1|2,0,1]=4 472 B16R2.2238 O=C(CSc1ccccc1)c2ccc[nH]2 62a_200011262396_100000041952 [0,0,0,0,0,1|2,0,1]=4 473 B16R2.2238 O=C(CSc1ccccc1)c2ccco2 62a_100000211439_100000041952 [0,0,0,0,0,1|3,0,0]=4 474 B16R2.2238 O=C(CSc1ccccc1)c2ccco2 62a_100000719477_100000211439 [0,0,0,0,0,1|3,0,0]=4 475 B16R2.2238 O=C(CSc1ccccc1)c2cccs2 62a_100000211436_100000041952 [0,0,0,0,0,1|3,0,0]=4 476 B16R2.2238 O=C(CSc1ccccc1)c2cccs2 62a_100000719477_100000211436 [0,0,0,0,0,1|3,0,0]=4 477 B16R2.2238 O=C(CSc1ccccc1)c2ccsc2 62a_100000719477_100011219462 [0,0,0,0,0,1|3,0,0]=4 478 B16R2.2238 O=C(CSc1ccccc1)c2ccsc2 62a_100011219462_100000041952 [0,0,0,0,0,1|3,0,0]=4 479 B16R2.2238 O=C(CSc1ccccc1)c2nccs2 62a_100000718653_100000041952 [0,0,0,0,0,1|3,0,0]=4 480 B16R2.2238 O=C(CSc1ccccc1)c2nccs2 62a_100000719477_100000718653 [0,0,0,0,0,1|3,0,0]=4 481 B16R2.2238 O=C(CSc1ccccc1)n2cccn2 62a_100000077511_100000041952 [0,0,0,0,0,1|3,0,0]=4 482 B16R2.2238 O=C(CSc1ccccc1)n2cccn2 62a_100000719477_100000077511 [0,0,0,0,0,1|3,0,0]=4 483 B16R2.2238 O=C(NCc1ccccc1)C2=CCCC2 11a_100015324214_100000038896 [0,0,0,0,0,1|2,0,1]=4 484 B16R2.2238 O=C(NCc1ccccc1)C2=CCCC2 1626a_100015324214_100000038896 [0,0,0,0,0,1|2,0,1]=4 485 B16R2.2238 O=C(NCc1ccccc1)C2=CCCC2 240690a_100015324214_100000038896 [0,0,0,0,0,1|2,0,1]=4 486 B16R2.2238 O=C(NCc1ccccc1)C2=CCOC2 11a_100015324214_100000139269 [0,0,0,0,0,1|2,0,1]=4 487 B16R2.2238 O=C(NCc1ccccc1)C2=CCOC2 1626a_100015324214_100000139269 [0,0,0,0,0,1|2,0,1]=4 488 B16R2.2238 O=C(NCc1ccccc1)C2=CCOC2 240690a_100015324214_100000139269 [0,0,0,0,0,1|2,0,1]=4 489 B16R2.2238 O=C(NCc1ccccc1)C2=COCC2 1626a_100015324214_100000750620 [0,0,0,0,0,1|3,0,0]=4 490 B16R2.2238 O=C(NCc1ccccc1)C2=COCC2 240690a_100015324214_100000750620 [0,0,0,0,0,1|3,0,0]=4 491 B16R2.2238 O=C(NN=C1C=CCCC1)c2cc[nH]n2 4a_100011273208_100011213375 [0,0,0,0,0,1|0,0,3]=4 492 B16R2.2238 O=C(NNc1ccccc1)C2=CCCC2 22a_100015195140_100000038896 [0,0,0,0,0,1|2,0,1]=4 493 B16R2.2238 O=C(NNc1ccccc1)C2=CCOC2 22a_100015195140_100000139269 [0,0,0,0,0,1|2,0,1]=4 494 B16R2.2238 O=C(NNc1ccccc1)C2=COCC2 22a_100015195140_100000750620 [0,0,0,0,0,1|3,0,0]=4 495 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [1,0,1,0,0,0|2,0,0]=4 496 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [1,0,1,0,0,0|1,0,0]=3 497 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [1,0,1,0,0,0|1,0,0]=3 498 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [1,0,1,0,0,0|1,0,1]=4 499 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [1,0,1,0,0,0|1,0,1]=4 500 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [1,0,1,0,0,0|1,0,1]=4 501 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [1,0,1,0,0,0|1,0,1]=4 502 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [1,0,1,0,0,0|1,0,1]=4 503 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [1,0,1,0,0,0|1,0,1]=4 504 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [1,0,1,0,0,0|1,0,1]=4 505 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [1,0,1,0,0,0|1,0,1]=4 506 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [1,0,1,0,0,0|1,0,1]=4 507 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [1,0,1,0,0,0|1,0,1]=4 508 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [1,0,1,0,0,0|1,0,1]=4 509 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [1,0,1,0,0,0|1,0,1]=4 510 B13R1.44 COC=CC(=O)Nc1ccccc1 1626a_100000106764_100016268678 [1,0,1,0,0,0|2,0,0]=4 511 B13R1.44 COC=CC(=O)Nc1ccccc1 22a_100000106764_100016268678 [1,0,1,0,0,0|2,0,0]=4 512 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [1,0,1,0,0,0|1,0,1]=4 513 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [1,0,1,0,0,0|1,0,1]=4 514 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [1,0,1,0,0,0|1,0,1]=4 515 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [1,0,1,0,0,0|2,0,0]=4 516 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 11a_100000106764_100011216780 [1,0,1,0,0,0|1,0,1]=4 517 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011216780 [1,0,1,0,0,0|1,0,1]=4 518 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 22a_100000106764_100011216780 [1,0,1,0,0,0|1,0,1]=4 519 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 527a_100000106764_100011216780 [1,0,1,0,0,0|1,0,1]=4 520 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [1,0,1,0,0,0|1,0,1]=4 521 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [1,0,1,0,0,0|1,0,1]=4 522 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [1,0,1,0,0,0|1,0,1]=4 523 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [1,0,1,0,0,0|1,0,1]=4 524 B15R1.496 NC(=O)CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000187820 [0,1,1,0,0,0|1,0,1]=4 525 B15R1.551 C/C=C/CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100102629194 [0,1,1,0,0,0|2,0,0]=4 526 B15R1.551 CC=CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000070051 [0,1,1,0,0,0|2,0,0]=4 527 B15R1.83 C=CCNCCC(=O)Nc1ccccc1 2230a_100020586998_100000242058 [0,1,1,0,0,0|1,0,1]=4 528 B15R1.93 C/C=C/C=CC(=O)N(C)c1ccccc1 11a_100000210012_100000185730 [0,1,1,0,0,0|2,0,0]=4 529 B15R1.93 C/C=C/C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185730 [0,1,1,0,0,0|2,0,0]=4 530 B15R1.93 C/C=C/C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185730 [0,1,1,0,0,0|2,0,0]=4 531 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185730 [0,1,1,0,0,0|2,0,0]=4 532 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185730 [0,1,1,0,0,0|2,0,0]=4 533 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185730 [0,1,1,0,0,0|2,0,0]=4 534 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000185730 [0,1,1,0,0,0|2,0,0]=4 535 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185730 [0,1,1,0,0,0|2,0,0]=4 536 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185730 [0,1,1,0,0,0|2,0,0]=4 537 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185730 [0,1,1,0,0,0|2,0,0]=4 538 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185730 [0,1,1,0,0,0|2,0,0]=4 539 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185730 [0,1,1,0,0,0|2,0,0]=4 540 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000185730 [0,1,1,0,0,0|2,0,0]=4 541 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185730 [0,1,1,0,0,0|2,0,0]=4 542 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185730 [0,1,1,0,0,0|2,0,0]=4 543 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000185730 [0,1,1,0,0,0|2,0,0]=4 544 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185730 [0,1,1,0,0,0|2,0,0]=4 545 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185730 [0,1,1,0,0,0|2,0,0]=4 546 B15R1.128 C/C=C/C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185730 [0,1,1,0,0,0|2,0,0]=4 547 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000185730 [0,1,1,0,0,0|2,0,0]=4 548 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185730 [0,1,1,0,0,0|2,0,0]=4 549 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185730 [0,1,1,0,0,0|2,0,0]=4 550 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000185730 [0,1,1,0,0,0|2,0,0]=4 551 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185730 [0,1,1,0,0,0|2,0,0]=4 552 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185730 [0,1,1,0,0,0|2,0,0]=4 553 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185730 [0,1,1,0,0,0|2,0,0]=4 554 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185730 [0,1,1,0,0,0|2,0,0]=4 555 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185730 [0,1,1,0,0,0|2,0,0]=4 556 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000185730 [0,1,1,0,0,0|2,0,0]=4 557 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185730 [0,1,1,0,0,0|2,0,0]=4 558 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185730 [0,1,1,0,0,0|2,0,0]=4 559 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000185730 [0,1,1,0,0,0|2,0,0]=4 560 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185730 [0,1,1,0,0,0|2,0,0]=4 561 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185730 [0,1,1,0,0,0|2,0,0]=4 562 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185730 [0,1,1,0,0,0|2,0,0]=4 563 B15R1.129 C/C=C/C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185730 [0,1,1,0,0,0|2,0,0]=4 564 B15R1.964 CC=C(C)C=CC(=O)Nc1ccccc1 1626a_100000106764_100000692105 [0,1,1,0,0,0|2,0,0]=4 565 B15R1.964 CC=C(C)C=CC(=O)Nc1ccccc1 22a_100000106764_100000692105 [0,1,1,0,0,0|2,0,0]=4 566 B15R1.964 CCC(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_100000210202 [0,1,1,0,0,0|2,0,0]=4 567 B15R1.964 CNC(=O)C=CC(=O)Cc1ccccc1 1458a_100016259477_100015291786 [0,1,1,0,0,0|2,0,0]=4 568 B15R1.964 CNC(=O)C=CC(=O)Nc1ccccc1 1626a_100000106764_100016259477 [0,1,1,0,0,0|1,0,0]=3 569 B15R1.964 CNC(=O)C=CC(=O)Nc1ccccc1 22a_100000106764_100016259477 [0,1,1,0,0,0|1,0,0]=3 570 B15R1.964 COC(=O)C=CC(=O)Nc1ccccc1 1626a_100000106764_100016283253 [0,1,1,0,0,0|2,0,0]=4 571 B15R1.964 COC(=O)C=CC(=O)Nc1ccccc1 22a_100000106764_100016283253 [0,1,1,0,0,0|2,0,0]=4 572 B15R1.964 O=C(C=CC(=O)Nc1ccccc1)CF 1458a_200016255450_100015361967 [0,1,1,0,0,0|2,0,0]=4 573 B15R1.1081 CN(C)CC=CC(=O)Nc1ccccc1 22a_100000106764_100000754359 [0,1,1,0,0,0|1,0,1]=4 574 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1Br 11a_100000210017_100000185730 [0,1,1,0,0,0|2,0,0]=4 575 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185730 [0,1,1,0,0,0|2,0,0]=4 576 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1C 11a_100015192222_100000185730 [0,1,1,0,0,0|2,0,0]=4 577 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185730 [0,1,1,0,0,0|2,0,0]=4 578 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185730 [0,1,1,0,0,0|2,0,0]=4 579 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000185730 [0,1,1,0,0,0|2,0,0]=4 580 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185730 [0,1,1,0,0,0|2,0,0]=4 581 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185730 [0,1,1,0,0,0|2,0,0]=4 582 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1F 11a_100000210422_100000185730 [0,1,1,0,0,0|2,0,0]=4 583 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185730 [0,1,1,0,0,0|2,0,0]=4 584 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185730 [0,1,1,0,0,0|2,0,0]=4 585 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1I 11a_100000210053_100000185730 [0,1,1,0,0,0|2,0,0]=4 586 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185730 [0,1,1,0,0,0|2,0,0]=4 587 B15R1.1409 C/C=C/C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185730 [0,1,1,0,0,0|2,0,0]=4 588 B15R1.96 CC=CC=CC=NNC(=O)c1cc[nH]n1 4a_100011273208_100000691131 [0,1,1,0,0,0|0,0,1]=3 589 B15R1.593 C=CC=CC(=O)NNC(=O)c1cc[nH]n1 22a_100011273208_100016291481 [0,1,1,0,0,0|1,0,0]=3 590 B15R2.55 Brc1c[nH]nc1C#Cc2ccccc2 271570a_100000069678_100015839836 [1,1,0,0,0,0|1,0,1]=4 591 B15R2.55 Brc1c[nH]nc1C=Cc2ccccc2 271570a_100102527694_100015839836 [1,1,0,0,0,0|1,0,0]=3 592 B15R2.55 Brc1c[nH]nc1C=Cc2cccnc2 271570a_100102525586_100015839836 [1,1,0,0,0,0|2,0,0]=4 593 B15R2.55 Brc1c[nH]nc1SCc2ccccc2 62a_100000211182_100015839836 [1,1,0,0,0,0|2,0,0]=4 594 B15R2.55 Brc1c[nH]nc1SCc2ccccc2 62a_100015839836_100015291786 [1,1,0,0,0,0|2,0,0]=4 595 B15R2.55 Cc1c[nH]nc1C#Cc2ccccc2 271570a_100000069678_100009871783 [1,1,0,0,0,0|1,0,1]=4 596 B15R2.55 Cc1c[nH]nc1C=Cc2ccccc2 271570a_100102527694_100009871783 [1,1,0,0,0,0|1,0,0]=3 597 B15R2.55 Cc1c[nH]nc1C=Cc2cccnc2 271570a_100102525586_100009871783 [1,1,0,0,0,0|2,0,0]=4 598 B15R2.55 Cc1c[nH]nc1SCc2ccccc2 62a_100000211182_100009871783 [1,1,0,0,0,0|2,0,0]=4 599 B15R2.55 Cc1c[nH]nc1SCc2ccccc2 62a_100009871783_100015291786 [1,1,0,0,0,0|2,0,0]=4 600 B15R2.55 Clc1c[nH]nc1CNc2ccccc2 207a_100000106764_100000040271 [1,1,0,0,0,0|0,0,1]=3 601 B15R2.55 Nc1c[nH]nc1C#Cc2ccccc2 271570a_100000069678_100010894806 [1,1,0,0,0,0|1,0,1]=4 602 B15R2.55 Nc1c[nH]nc1C=Cc2ccccc2 271570a_100102527694_100010894806 [1,1,0,0,0,0|1,0,0]=3 603 B15R2.55 Nc1c[nH]nc1C=Cc2cccnc2 271570a_100102525586_100010894806 [1,1,0,0,0,0|2,0,0]=4 604 B15R2.55 Nc1c[nH]nc1SCc2ccccc2 62a_100000211182_100010894806 [1,1,0,0,0,0|2,0,0]=4 605 B15R2.55 Nc1c[nH]nc1SCc2ccccc2 62a_100010894806_100015291786 [1,1,0,0,0,0|2,0,0]=4 606 B15R2.100 Brc1ccc(cc1)C=Cc2cc[nH]n2 271570a_100102527914_100000062575 [1,1,0,0,0,0|1,0,0]=3 607 B15R2.100 Brc1ccc(cc1)C=Cc2ccsn2 271570a_100102527914_100009818082 [1,1,0,0,0,0|2,0,0]=4 608 B15R2.100 Brc1ccc(cc1)C=Cc2nc[nH]n2 271570a_100102527914_100000761765 [1,1,0,0,0,0|2,0,0]=4 609 B15R2.100 Brc1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100000189115 [1,1,0,0,0,0|2,0,0]=4 610 B15R2.100 Brc1ccc(cc1)CSc2cc[nH]n2 62a_100000189115_100000062575 [1,1,0,0,0,0|2,0,0]=4 611 B15R2.100 Brc1ccc(cc1)NCc2cc[nH]n2 207a_100000210018_100000738523 [1,1,0,0,0,0|0,0,1]=3 612 B15R2.100 Brc1ccc(cc1)NCc2ccon2 2230a_100000210018_100000234950 [1,1,0,0,0,0|1,0,1]=4 613 B15R2.100 Brc1ccc(cc1)NCc2ccon2 34a_100000210018_100000234950 [1,1,0,0,0,0|1,0,1]=4 614 B15R2.100 Brc1ccc(nc1)NCc2cc[nH]n2 27a_100000739516_100000686858 [1,1,0,0,0,0|1,0,1]=4 615 B15R2.100 Cc1ccc(cc1)C=Cc2cc[nH]n2 271570a_100102527916_100000062575 [1,1,0,0,0,0|1,0,0]=3 616 B15R2.100 Cc1ccc(cc1)C=Cc2ccsn2 271570a_100102527916_100009818082 [1,1,0,0,0,0|2,0,0]=4 617 B15R2.100 Cc1ccc(cc1)C=Cc2nc[nH]n2 271570a_100102527916_100000761765 [1,1,0,0,0,0|2,0,0]=4 618 B15R2.100 Cc1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100000210814 [1,1,0,0,0,0|2,0,0]=4 619 B15R2.100 Cc1ccc(cc1)CSc2cc[nH]n2 62a_100000210814_100000062575 [1,1,0,0,0,0|2,0,0]=4 620 B15R2.100 Cc1ccc(cc1)NCc2cc[nH]n2 207a_100000124888_100000738523 [1,1,0,0,0,0|0,0,1]=3 621 B15R2.100 Cc1ccc(cc1)NCc2ccon2 34a_100000124888_100000234950 [1,1,0,0,0,0|1,0,1]=4 622 B15R2.100 Clc1ccc(cc1)C=Cc2cc[nH]n2 271570a_100102527930_100000062575 [1,1,0,0,0,0|1,0,0]=3 623 B15R2.100 Clc1ccc(cc1)C=Cc2ccsn2 271570a_100102527930_100009818082 [1,1,0,0,0,0|2,0,0]=4 624 B15R2.100 Clc1ccc(cc1)C=Cc2nc[nH]n2 271570a_100102527930_100000761765 [1,1,0,0,0,0|2,0,0]=4 625 B15R2.100 Clc1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100000187161 [1,1,0,0,0,0|2,0,0]=4 626 B15R2.100 Clc1ccc(cc1)CSc2cc[nH]n2 62a_100000187161_100000062575 [1,1,0,0,0,0|2,0,0]=4 627 B15R2.100 Clc1ccc(cc1)NCc2cc[nH]n2 207a_100000210052_100000738523 [1,1,0,0,0,0|0,0,1]=3 628 B15R2.100 Clc1ccc(cc1)NCc2ccon2 2230a_100000210052_100000234950 [1,1,0,0,0,0|1,0,1]=4 629 B15R2.100 Clc1ccc(cc1)NCc2ccon2 34a_100000210052_100000234950 [1,1,0,0,0,0|1,0,1]=4 630 B15R2.100 Fc1ccc(cc1)C=Cc2cc[nH]n2 271570a_100102525539_100000062575 [1,1,0,0,0,0|1,0,0]=3 631 B15R2.100 Fc1ccc(cc1)C=Cc2ccsn2 271570a_100102525539_100009818082 [1,1,0,0,0,0|2,0,0]=4 632 B15R2.100 Fc1ccc(cc1)C=Cc2nc[nH]n2 271570a_100102525539_100000761765 [1,1,0,0,0,0|2,0,0]=4 633 B15R2.100 Fc1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100000187164 [1,1,0,0,0,0|2,0,0]=4 634 B15R2.100 Fc1ccc(cc1)CSc2cc[nH]n2 62a_100000198546_100000062575 [1,1,0,0,0,0|2,0,0]=4 635 B15R2.100 Fc1ccc(cc1)NCc2cc[nH]n2 207a_100000185862_100000738523 [1,1,0,0,0,0|0,0,1]=3 636 B15R2.100 Fc1ccc(cc1)NCc2ccon2 34a_100000185862_100000234950 [1,1,0,0,0,0|1,0,1]=4 637 B15R2.100 Ic1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100000189116 [1,1,0,0,0,0|2,0,0]=4 638 B15R2.100 Ic1ccc(cc1)CSc2cc[nH]n2 62a_100000189116_100000062575 [1,1,0,0,0,0|2,0,0]=4 639 B15R2.100 Ic1ccc(cc1)NCc2cc[nH]n2 207a_100000185761_100000738523 [1,1,0,0,0,0|0,0,1]=3 640 B15R2.100 Ic1ccc(cc1)NCc2ccon2 34a_100000185761_100000234950 [1,1,0,0,0,0|1,0,1]=4 641 B15R2.100 Oc1ccc(cc1)NCc2ccon2 34a_100000185829_100000234950 [1,1,0,0,0,0|1,0,1]=4 642 B15R2.283 Cc1cc(n[nH]1)C#Cc2ccccc2 271570a_100000069678_100015199547 [1,1,0,0,0,0|1,0,1]=4 643 B15R2.283 Cc1cc(n[nH]1)C=Cc2ccccc2 271570a_100102527694_100015199547 [1,1,0,0,0,0|1,0,0]=3 644 B15R2.283 Cc1cc(n[nH]1)C=Cc2cccnc2 271570a_100102525586_100015199547 [1,1,0,0,0,0|2,0,0]=4 645 B15R2.283 Cc1cc(n[nH]1)SCc2ccccc2 62a_100000211182_100009819999 [1,1,0,0,0,0|2,0,0]=4 646 B15R2.283 Cc1cc(n[nH]1)SCc2ccccc2 62a_100009819999_100015291786 [1,1,0,0,0,0|2,0,0]=4 647 B15R2.283 Cc1cc(no1)CNc2ccccc2 207a_100000106764_100011217994 [1,1,0,0,0,0|1,0,1]=4 648 B15R2.283 Cc1cc(no1)CNc2ccccc2 34a_100000106764_100000199038 [1,1,0,0,0,0|1,0,1]=4 649 B15R2.283 Cc1cc(ns1)CNc2ccccc2 207a_100000106764_200000100279 [1,1,0,0,0,0|1,0,1]=4 650 B15R2.283 Cc1cc(ns1)CNc2ccccc2 270302a_100000106764_200000100279 [1,1,0,0,0,0|1,0,1]=4 651 B15R2.283 Cc1nc(n[nH]1)C=Cc2ccccc2 271570a_100102527694_100000732540 [1,1,0,0,0,0|2,0,0]=4 652 B15R2.283 Cn1ccc(n1)C#Cc2ccccc2 271570a_100000069678_100000752436 [1,1,0,0,0,0|1,0,1]=4 653 B15R2.283 Cn1ccc(n1)C=Cc2ccccc2 271570a_100102527694_100000752436 [1,1,0,0,0,0|1,0,0]=3 654 B15R2.283 Cn1ccc(n1)C=Cc2cccnc2 271570a_100102525586_100000752436 [1,1,0,0,0,0|2,0,0]=4 655 B15R2.283 Cn1ccc(n1)CNc2ccccc2 207a_100000106764_100000750880 [1,1,0,0,0,0|0,0,1]=3 656 B15R2.283 Cn1ccc(n1)CNc2ccccc2 270302a_100000106764_100000750880 [1,1,0,0,0,0|0,0,1]=3 657 B15R2.283 Cn1ccc(n1)CNc2ccccc2 34a_100000106764_100000726502 [1,1,0,0,0,0|0,0,1]=3 658 B15R2.283 Cn1ccc(n1)COc2ccccc2 34a_100000210340_100000726502 [1,1,0,0,0,0|1,0,1]=4 659 B15R2.283 Cn1ccc(n1)COc2ccccc2 7a_100000210340_100000726502 [1,1,0,0,0,0|1,0,1]=4 660 B15R2.283 Cn1ccc(n1)CSc2ccccc2 62a_100000719477_100000726502 [1,1,0,0,0,0|1,0,1]=4 661 B15R2.283 Cn1ccc(n1)CSc2ccccc2 62a_100000726502_100000041952 [1,1,0,0,0,0|1,0,1]=4 662 B15R2.283 Cn1ccc(n1)OCc2ccccc2 34a_100012642153_100015291786 [1,1,0,0,0,0|2,0,0]=4 663 B15R2.283 Cn1ccc(n1)SCc2ccccc2 62a_100000211182_100000752436 [1,1,0,0,0,0|2,0,0]=4 664 B15R2.283 Cn1ccc(n1)SCc2ccccc2 62a_100000752436_100015291786 [1,1,0,0,0,0|2,0,0]=4 665 B15R2.283 Cn1cnc(n1)C=Cc2ccccc2 271570a_100102527694_100009819955 [1,1,0,0,0,0|2,0,0]=4 666 B15R2.283 Cn1cnc(n1)CNc2ccccc2 207a_100000106764_100010630104 [1,1,0,0,0,0|1,0,1]=4 667 B15R2.283 Cn1cnc(n1)CNc2ccccc2 34a_100000106764_100016995526 [1,1,0,0,0,0|1,0,1]=4 668 B15R2.283 Cn1ncc(n1)C=Cc2ccccc2 271570a_100102527694_100000733932 [1,1,0,0,0,0|2,0,0]=4 669 B15R2.283 Nc1cc(n[nH]1)C#Cc2ccccc2 271570a_100000069678_100009822546 [1,1,0,0,0,0|1,0,1]=4 670 B15R2.283 Nc1cc(n[nH]1)C=Cc2ccccc2 271570a_100102527694_100009822546 [1,1,0,0,0,0|1,0,0]=3 671 B15R2.283 Nc1cc(n[nH]1)C=Cc2cccnc2 271570a_100102525586_100009822546 [1,1,0,0,0,0|2,0,0]=4 672 B15R2.283 Nc1cc(n[nH]1)SCc2ccccc2 62a_100000211182_100009822546 [1,1,0,0,0,0|2,0,0]=4 673 B15R2.283 Nc1cc(n[nH]1)SCc2ccccc2 62a_100009822546_100015291786 [1,1,0,0,0,0|2,0,0]=4 674 B15R2.283 Nc1nc(n[nH]1)C=Cc2ccccc2 271570a_100102527694_100015184587 [1,1,0,0,0,0|2,0,0]=4 675 B15R2.562 Brc1ccccc1CSc2cc[nH]n2 62a_100000062575_100000184730 [1,1,0,0,0,0|2,0,0]=4 676 B15R2.562 Brc1ccccc1CSc2cc[nH]n2 62a_100000184730_100000062575 [1,1,0,0,0,0|2,0,0]=4 677 B15R2.562 Brc1ccccc1NCc2cc[nH]n2 207a_100000210017_100000738523 [1,1,0,0,0,0|0,0,1]=3 678 B15R2.562 Brc1ccccc1NCc2ccon2 34a_100000210017_100000234950 [1,1,0,0,0,0|1,0,1]=4 679 B15R2.562 Brc1cccnc1NCc2cc[nH]n2 27a_100000739516_100000696092 [1,1,0,0,0,0|1,0,1]=4 680 B15R2.562 Brc1cnccc1NCc2cc[nH]n2 27a_100000739516_100000726257 [1,1,0,0,0,0|1,0,1]=4 681 B15R2.562 Cc1ccccc1CSc2cc[nH]n2 62a_100000062575_100000211839 [1,1,0,0,0,0|2,0,0]=4 682 B15R2.562 Cc1ccccc1CSc2cc[nH]n2 62a_100000211839_100000062575 [1,1,0,0,0,0|2,0,0]=4 683 B15R2.562 Cc1ccccc1NCc2cc[nH]n2 207a_100015192222_100000738523 [1,1,0,0,0,0|0,0,1]=3 684 B15R2.562 Cc1ccccc1NCc2ccon2 34a_100015192222_100000234950 [1,1,0,0,0,0|1,0,1]=4 685 B15R2.562 Cc1cnccc1NCc2cc[nH]n2 27a_100000739516_100000765111 [1,1,0,0,0,0|1,0,1]=4 686 B15R2.562 Clc1ccccc1CSc2cc[nH]n2 62a_100000062575_100000187162 [1,1,0,0,0,0|2,0,0]=4 687 B15R2.562 Clc1ccccc1CSc2cc[nH]n2 62a_100000187162_100000062575 [1,1,0,0,0,0|2,0,0]=4 688 B15R2.562 Clc1ccccc1NCc2cc[nH]n2 207a_100000185783_100000738523 [1,1,0,0,0,0|0,0,1]=3 689 B15R2.562 Clc1ccccc1NCc2ccon2 34a_100000185783_100000234950 [1,1,0,0,0,0|1,0,1]=4 690 B15R2.562 Fc1ccccc1C=Cc2cc[nH]n2 271570a_200102527919_100000062575 [1,1,0,0,0,0|1,0,0]=3 691 B15R2.562 Fc1ccccc1C=Cc2ccsn2 271570a_200102527919_100009818082 [1,1,0,0,0,0|2,0,0]=4 692 B15R2.562 Fc1ccccc1C=Cc2nc[nH]n2 271570a_200102527919_100000761765 [1,1,0,0,0,0|2,0,0]=4 693 B15R2.562 Fc1ccccc1CSc2cc[nH]n2 62a_100000062575_100000211605 [1,1,0,0,0,0|2,0,0]=4 694 B15R2.562 Fc1ccccc1CSc2cc[nH]n2 62a_100000211605_100000062575 [1,1,0,0,0,0|2,0,0]=4 695 B15R2.562 Fc1ccccc1NCc2cc[nH]n2 207a_100000210422_100000738523 [1,1,0,0,0,0|0,0,1]=3 696 B15R2.562 Fc1ccccc1NCc2ccon2 34a_100000210422_100000234950 [1,1,0,0,0,0|1,0,1]=4 697 B15R2.562 Fc1cnccc1NCc2cc[nH]n2 27a_100000739516_100000035921 [1,1,0,0,0,0|1,0,1]=4 698 B15R2.562 Ic1ccccc1CSc2cc[nH]n2 62a_100000062575_100011216222 [1,1,0,0,0,0|2,0,0]=4 699 B15R2.562 Ic1ccccc1CSc2cc[nH]n2 62a_100011216222_100000062575 [1,1,0,0,0,0|2,0,0]=4 700 B15R2.562 Ic1ccccc1NCc2cc[nH]n2 207a_100000210053_100000738523 [1,1,0,0,0,0|0,0,1]=3 701 B15R2.562 Ic1ccccc1NCc2ccon2 34a_100000210053_100000234950 [1,1,0,0,0,0|1,0,1]=4 702 B15R2.562 Oc1ccccc1NCc2ccon2 34a_100000185747_100000234950 [1,1,0,0,0,0|1,0,1]=4 703 B15R2.1117 Brc1cccc(c1)CSc2cc[nH]n2 62a_100000062575_100000211773 [1,1,0,0,0,0|2,0,0]=4 704 B15R2.1117 Brc1cccc(c1)CSc2cc[nH]n2 62a_100000211773_100000062575 [1,1,0,0,0,0|2,0,0]=4 705 B15R2.1117 Brc1cccc(c1)NCc2cc[nH]n2 207a_100000210019_100000738523 [1,1,0,0,0,0|0,0,1]=3 706 B15R2.1117 Brc1cccc(c1)NCc2ccon2 34a_100000210019_100000234950 [1,1,0,0,0,0|1,0,1]=4 707 B15R2.1117 Cc1cc(ccn1)NCc2cc[nH]n2 27a_100000739516_100000758586 [1,1,0,0,0,0|1,0,1]=4 708 B15R2.1117 Cc1cccc(c1)C=Cc2cc[nH]n2 271570a_200135466880_100000062575 [1,1,0,0,0,0|1,0,0]=3 709 B15R2.1117 Cc1cccc(c1)C=Cc2ccsn2 271570a_200135466880_100009818082 [1,1,0,0,0,0|2,0,0]=4 710 B15R2.1117 Cc1cccc(c1)C=Cc2nc[nH]n2 271570a_200135466880_100000761765 [1,1,0,0,0,0|2,0,0]=4 711 B15R2.1117 Cc1cccc(c1)CSc2cc[nH]n2 62a_100000062575_100000211840 [1,1,0,0,0,0|2,0,0]=4 712 B15R2.1117 Cc1cccc(c1)CSc2cc[nH]n2 62a_100000211840_100000062575 [1,1,0,0,0,0|2,0,0]=4 713 B15R2.1117 Cc1cccc(c1)NCc2cc[nH]n2 207a_100000188690_100000738523 [1,1,0,0,0,0|0,0,1]=3 714 B15R2.1117 Cc1cccc(c1)NCc2ccon2 2230a_100000188690_100000234950 [1,1,0,0,0,0|1,0,1]=4 715 B15R2.1117 Cc1cccc(c1)NCc2ccon2 34a_100000188690_100000234950 [1,1,0,0,0,0|1,0,1]=4 716 B15R2.1117 Clc1cccc(c1)C=Cc2cc[nH]n2 271570a_100102525933_100000062575 [1,1,0,0,0,0|1,0,0]=3 717 B15R2.1117 Clc1cccc(c1)C=Cc2ccsn2 271570a_100102525933_100009818082 [1,1,0,0,0,0|2,0,0]=4 718 B15R2.1117 Clc1cccc(c1)C=Cc2nc[nH]n2 271570a_100102525933_100000761765 [1,1,0,0,0,0|2,0,0]=4 719 B15R2.1117 Clc1cccc(c1)CSc2cc[nH]n2 62a_100000062575_100000187163 [1,1,0,0,0,0|2,0,0]=4 720 B15R2.1117 Clc1cccc(c1)CSc2cc[nH]n2 62a_100000187163_100000062575 [1,1,0,0,0,0|2,0,0]=4 721 B15R2.1117 Clc1cccc(c1)NCc2cc[nH]n2 207a_100000185859_100000738523 [1,1,0,0,0,0|0,0,1]=3 722 B15R2.1117 Clc1cccc(c1)NCc2ccon2 34a_100000185859_100000234950 [1,1,0,0,0,0|1,0,1]=4 723 B15R2.1117 Fc1cc(ccn1)NCc2cc[nH]n2 27a_100000739516_100009816116 [1,1,0,0,0,0|1,0,1]=4 724 B15R2.1117 Fc1cccc(c1)C=Cc2cc[nH]n2 271570a_100102525537_100000062575 [1,1,0,0,0,0|1,0,0]=3 725 B15R2.1117 Fc1cccc(c1)C=Cc2ccsn2 271570a_100102525537_100009818082 [1,1,0,0,0,0|2,0,0]=4 726 B15R2.1117 Fc1cccc(c1)C=Cc2nc[nH]n2 271570a_100102525537_100000761765 [1,1,0,0,0,0|2,0,0]=4 727 B15R2.1117 Fc1cccc(c1)CSc2cc[nH]n2 62a_100000062575_100000230114 [1,1,0,0,0,0|2,0,0]=4 728 B15R2.1117 Fc1cccc(c1)CSc2cc[nH]n2 62a_100000230114_100000062575 [1,1,0,0,0,0|2,0,0]=4 729 B15R2.1117 Fc1cccc(c1)NCc2cc[nH]n2 207a_100000210047_100000738523 [1,1,0,0,0,0|0,0,1]=3 730 B15R2.1117 Fc1cccc(c1)NCc2ccon2 34a_100000210047_100000234950 [1,1,0,0,0,0|1,0,1]=4 731 B15R2.1117 Fc1cccc(n1)NCc2cc[nH]n2 27a_100000739516_100009815982 [1,1,0,0,0,0|1,0,1]=4 732 B15R2.1117 Fc1ccnc(c1)NCc2cc[nH]n2 27a_100000739516_100000764206 [1,1,0,0,0,0|1,0,1]=4 733 B15R2.1117 Ic1cccc(c1)CSc2cc[nH]n2 62a_100000062575_100011218688 [1,1,0,0,0,0|2,0,0]=4 734 B15R2.1117 Ic1cccc(c1)CSc2cc[nH]n2 62a_100011218688_100000062575 [1,1,0,0,0,0|2,0,0]=4 735 B15R2.1117 Ic1cccc(c1)NCc2cc[nH]n2 207a_100000211102_100000738523 [1,1,0,0,0,0|0,0,1]=3 736 B15R2.1117 Ic1cccc(c1)NCc2ccon2 34a_100000211102_100000234950 [1,1,0,0,0,0|1,0,1]=4 737 B15R2.1117 O=c1cc(cc[nH]1)NCc2cc[nH]n2 27a_100000739516_100000061649 [1,1,0,0,0,0|1,0,1]=4 738 B15R2.1117 Oc1cccc(c1)CSc2cc[nH]n2 62a_100000062575_100011660834 [1,1,0,0,0,0|2,0,0]=4 739 B15R2.1117 Oc1cccc(c1)CSc2cc[nH]n2 62a_100011660834_100000062575 [1,1,0,0,0,0|2,0,0]=4 740 B15R2.1117 Oc1cccc(c1)NCc2ccon2 34a_100000210217_100000234950 [1,1,0,0,0,0|1,0,1]=4 741 B15R2.1259 CC(Cc1cc[nH]n1)c2ccccc2 271570a_100000062452_100000062575 [1,1,0,0,0,0|1,0,1]=4 742 B15R2.1259 CC(Sc1cc[nH]n1)c2ccccc2 62a_100000062575_100000230085 [1,1,0,0,0,0|2,0,0]=4 743 B15R2.1259 CC(Sc1cc[nH]n1)c2ccccc2 62a_100000230085_100000062575 [1,1,0,0,0,0|2,0,0]=4 744 B15R2.1259 CN(Cc1ccon1)c2ccccc2 2230a_100000210012_100000234950 [1,1,0,0,0,0|1,0,1]=4 745 B15R2.1259 CN(Cc1ccon1)c2ccccc2 269982a_100000210012_100000234950 [1,1,0,0,0,0|1,0,1]=4 746 B15R2.1259 CN(Cc1ccon1)c2ccccc2 34a_100000210012_100000234950 [1,1,0,0,0,0|1,0,1]=4 747 B15R2.91 C=C(c1ccc(cc1)C)c2cc[nH]n2 271570a_100010895218_100000062575 [0,1,0,0,1,0|1,0,0]=3 748 B15R2.91 C=C(c1ccc(cc1)C)c2ccsn2 271570a_100010895218_100009818082 [0,1,0,0,1,0|2,0,0]=4 749 B15R2.91 C=C(c1ccc(cc1)C)c2nc[nH]n2 271570a_100010895218_100000761765 [0,1,0,0,1,0|2,0,0]=4 750 B15R2.91 C=C(c1ccc(cc1)Cl)c2cc[nH]n2 271570a_100010171417_100000062575 [0,1,0,0,1,0|1,0,0]=3 751 B15R2.91 C=C(c1ccc(cc1)Cl)c2ccsn2 271570a_100010171417_100009818082 [0,1,0,0,1,0|2,0,0]=4 752 B15R2.91 C=C(c1ccc(cc1)Cl)c2nc[nH]n2 271570a_100010171417_100000761765 [0,1,0,0,1,0|2,0,0]=4 753 B15R2.91 C=C(c1ccc(cc1)F)c2cc[nH]n2 271570a_100000068270_100000062575 [0,1,0,0,1,0|1,0,0]=3 754 B15R2.91 C=C(c1ccc(cc1)F)c2ccsn2 271570a_100000068270_100009818082 [0,1,0,0,1,0|2,0,0]=4 755 B15R2.91 C=C(c1ccc(cc1)F)c2nc[nH]n2 271570a_100000068270_100000761765 [0,1,0,0,1,0|2,0,0]=4 756 B15R2.297 C=C(c1ccccc1)c2cc([nH]n2)C 271570a_100000068269_100015199547 [0,1,0,0,1,0|1,0,0]=3 757 B15R2.297 C=C(c1ccccc1)c2cc([nH]n2)N 271570a_100000068269_100009822546 [0,1,0,0,1,0|1,0,0]=3 758 B15R2.297 C=C(c1ccccc1)c2ccn(n2)C 271570a_100000068269_100000752436 [0,1,0,0,1,0|1,0,0]=3 759 B15R2.297 C=C(c1ccccc1)c2cnn(n2)C 271570a_100000068269_100000733932 [0,1,0,0,1,0|2,0,0]=4 760 B15R2.297 C=C(c1ccccc1)c2n[nH]c(n2)C 271570a_100000068269_100000732540 [0,1,0,0,1,0|2,0,0]=4 761 B15R2.297 C=C(c1ccccc1)c2n[nH]c(n2)N 271570a_100000068269_100015184587 [0,1,0,0,1,0|2,0,0]=4 762 B15R2.297 C=C(c1ccccc1)c2ncn(n2)C 271570a_100000068269_100009819955 [0,1,0,0,1,0|2,0,0]=4 763 B15R2.297 O=C(c1ccccc1)c2ccc(s2)O 271570a_203496583355_100011299753 [0,1,0,0,1,0|2,0,0]=4 764 B15R2.395 C=C(c1ccccc1)c2n[nH]cc2Br 271570a_100000068269_100015839836 [0,1,0,0,1,0|1,0,0]=3 765 B15R2.395 C=C(c1ccccc1)c2n[nH]cc2C 271570a_100000068269_100009871783 [0,1,0,0,1,0|1,0,0]=3 766 B15R2.395 C=C(c1ccccc1)c2n[nH]cc2N 271570a_100000068269_100010894806 [0,1,0,0,1,0|1,0,0]=3 767 B15R2.1108 O=C(c1cccc(c1)O)c2cccs2 271570a_203496583355_200011267850 [0,1,0,0,1,0|2,0,0]=4 768 B15R2.596 O=C1C[C@H](N1)C(=O)Nc2ccccc2 22a_100000106764_100016090685 [0,1,0,0,1,0|0,0,2]=4 769 B15R2.596 O=C1C[C@H](N1)C(=O)Nc2ccccc2 527a_100000106764_100016090685 [0,1,0,0,1,0|0,0,2]=4 770 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 11a_100000106764_100000188618 [0,1,0,0,0,1|2,0,0]=4 771 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 1626a_100000106764_100000188618 [0,1,0,0,0,1|2,0,0]=4 772 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 22a_100000106764_100000188618 [0,1,0,0,0,1|2,0,0]=4 773 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 527a_100000106764_100000188618 [0,1,0,0,0,1|2,0,0]=4 774 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 11a_100000106764_100000185839 [0,1,0,0,0,1|2,0,0]=4 775 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 1626a_100000106764_100000185839 [0,1,0,0,0,1|2,0,0]=4 776 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 22a_100000106764_100000185839 [0,1,0,0,0,1|2,0,0]=4 777 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 527a_100000106764_100000185839 [0,1,0,0,0,1|2,0,0]=4 778 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 11a_100000106764_100000210187 [0,1,0,0,0,1|2,0,0]=4 779 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 1626a_100000106764_100000210187 [0,1,0,0,0,1|2,0,0]=4 780 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 22a_100000106764_100000210187 [0,1,0,0,0,1|2,0,0]=4 781 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 527a_100000106764_100000210187 [0,1,0,0,0,1|2,0,0]=4 782 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 11a_100000106764_100000187176 [0,1,0,0,0,1|2,0,0]=4 783 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 1626a_100000106764_100000187176 [0,1,0,0,0,1|2,0,0]=4 784 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 22a_100000106764_100000187176 [0,1,0,0,0,1|2,0,0]=4 785 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 527a_100000106764_100000187176 [0,1,0,0,0,1|2,0,0]=4 786 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 11a_100000106764_100000187904 [0,1,0,0,0,1|2,0,0]=4 787 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 1626a_100000106764_100000187904 [0,1,0,0,0,1|2,0,0]=4 788 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 22a_100000106764_100000187904 [0,1,0,0,0,1|2,0,0]=4 789 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 527a_100000106764_100000187904 [0,1,0,0,0,1|2,0,0]=4 790 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 22a_100000106764_100000212099 [0,1,0,0,0,1|2,0,0]=4 791 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 271570a_203496583355_200000153473 [0,1,0,0,0,1|2,0,0]=4 792 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 527a_100000106764_100000212099 [0,1,0,0,0,1|2,0,0]=4 793 B17R2.192 O=C1CCC(=NN1)C(=O)Cc2ccccc2 1458a_100000183032_100015291786 [0,1,0,0,0,1|1,0,1]=4 794 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 11a_100000124888_100000185807 [0,1,0,0,0,1|2,0,0]=4 795 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 1626a_100000124888_100000185807 [0,1,0,0,0,1|2,0,0]=4 796 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 22a_100000124888_100000185807 [0,1,0,0,0,1|2,0,0]=4 797 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 527a_100000124888_100000185807 [0,1,0,0,0,1|2,0,0]=4 798 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 11a_100000210018_100000185807 [0,1,0,0,0,1|2,0,0]=4 799 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 1626a_100000210018_100000185807 [0,1,0,0,0,1|2,0,0]=4 800 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 22a_100000210018_100000185807 [0,1,0,0,0,1|2,0,0]=4 801 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 527a_100000210018_100000185807 [0,1,0,0,0,1|2,0,0]=4 802 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 11a_100000210052_100000185807 [0,1,0,0,0,1|2,0,0]=4 803 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 1626a_100000210052_100000185807 [0,1,0,0,0,1|2,0,0]=4 804 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 22a_100000210052_100000185807 [0,1,0,0,0,1|2,0,0]=4 805 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 527a_100000210052_100000185807 [0,1,0,0,0,1|2,0,0]=4 806 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 11a_100000185862_100000185807 [0,1,0,0,0,1|2,0,0]=4 807 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 1626a_100000185862_100000185807 [0,1,0,0,0,1|2,0,0]=4 808 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 22a_100000185862_100000185807 [0,1,0,0,0,1|2,0,0]=4 809 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 527a_100000185862_100000185807 [0,1,0,0,0,1|2,0,0]=4 810 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 11a_100000185761_100000185807 [0,1,0,0,0,1|2,0,0]=4 811 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 1626a_100000185761_100000185807 [0,1,0,0,0,1|2,0,0]=4 812 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 22a_100000185761_100000185807 [0,1,0,0,0,1|2,0,0]=4 813 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 527a_100000185761_100000185807 [0,1,0,0,0,1|2,0,0]=4 814 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 22a_100000185829_100000185807 [0,1,0,0,0,1|2,0,0]=4 815 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100000155230 [0,1,0,0,0,1|2,0,0]=4 816 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccn2 271570a_203496583355_100000153572 [0,1,0,0,0,1|1,0,0]=3 817 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 11a_100000106764_100000212026 [0,1,0,0,0,1|2,0,0]=4 818 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 1626a_100000106764_100000212026 [0,1,0,0,0,1|2,0,0]=4 819 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100000212026 [0,1,0,0,0,1|2,0,0]=4 820 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 527a_100000106764_100000212026 [0,1,0,0,0,1|2,0,0]=4 821 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 11a_100000106764_100000188424 [0,1,0,0,0,1|2,0,0]=4 822 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 1626a_100000106764_100000188424 [0,1,0,0,0,1|2,0,0]=4 823 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 22a_100000106764_100000188424 [0,1,0,0,0,1|2,0,0]=4 824 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 527a_100000106764_100000188424 [0,1,0,0,0,1|2,0,0]=4 825 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 11a_100000106764_100000185844 [0,1,0,0,0,1|2,0,0]=4 826 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 1626a_100000106764_100000185844 [0,1,0,0,0,1|2,0,0]=4 827 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 22a_100000106764_100000185844 [0,1,0,0,0,1|2,0,0]=4 828 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 527a_100000106764_100000185844 [0,1,0,0,0,1|2,0,0]=4 829 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 11a_100000106764_100000188656 [0,1,0,0,0,1|2,0,0]=4 830 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 1626a_100000106764_100000188656 [0,1,0,0,0,1|2,0,0]=4 831 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 22a_100000106764_100000188656 [0,1,0,0,0,1|2,0,0]=4 832 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 527a_100000106764_100000188656 [0,1,0,0,0,1|2,0,0]=4 833 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 11a_100000106764_100000187884 [0,1,0,0,0,1|2,0,0]=4 834 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 1626a_100000106764_100000187884 [0,1,0,0,0,1|2,0,0]=4 835 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 22a_100000106764_100000187884 [0,1,0,0,0,1|2,0,0]=4 836 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 527a_100000106764_100000187884 [0,1,0,0,0,1|2,0,0]=4 837 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O 22a_100000106764_100015234032 [0,1,0,0,0,1|2,0,0]=4 838 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 1626a_100000106764_100009911694 [0,1,0,0,0,1|2,0,0]=4 839 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 22a_100000106764_100009911694 [0,1,0,0,0,1|2,0,0]=4 840 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 527a_100000106764_100009911694 [0,1,0,0,0,1|2,0,0]=4 841 B17R2.3417 O=C(Nc1ccccc1)c2ccncc2O 271570a_203496583355_200016737083 [0,1,0,0,0,1|1,0,1]=4 842 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 11a_100015192222_100000185807 [0,1,0,0,0,1|2,0,0]=4 843 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 1626a_100015192222_100000185807 [0,1,0,0,0,1|2,0,0]=4 844 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 22a_100015192222_100000185807 [0,1,0,0,0,1|2,0,0]=4 845 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 527a_100015192222_100000185807 [0,1,0,0,0,1|2,0,0]=4 846 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 11a_100000210017_100000185807 [0,1,0,0,0,1|2,0,0]=4 847 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 1626a_100000210017_100000185807 [0,1,0,0,0,1|2,0,0]=4 848 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 11a_100000185783_100000185807 [0,1,0,0,0,1|2,0,0]=4 849 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 1626a_100000185783_100000185807 [0,1,0,0,0,1|2,0,0]=4 850 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 22a_100000185783_100000185807 [0,1,0,0,0,1|2,0,0]=4 851 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 527a_100000185783_100000185807 [0,1,0,0,0,1|2,0,0]=4 852 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 11a_100000210422_100000185807 [0,1,0,0,0,1|2,0,0]=4 853 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 1626a_100000210422_100000185807 [0,1,0,0,0,1|2,0,0]=4 854 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 22a_100000210422_100000185807 [0,1,0,0,0,1|2,0,0]=4 855 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 527a_100000210422_100000185807 [0,1,0,0,0,1|2,0,0]=4 856 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 11a_100000210053_100000185807 [0,1,0,0,0,1|2,0,0]=4 857 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 1626a_100000210053_100000185807 [0,1,0,0,0,1|2,0,0]=4 858 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 22a_100000185747_100000185807 [0,1,0,0,0,1|2,0,0]=4 859 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 527a_100000185747_100000185807 [0,1,0,0,0,1|2,0,0]=4 860 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 11a_100000106764_100000189346 [0,1,0,0,0,1|2,0,0]=4 861 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 1626a_100000106764_100000189346 [0,1,0,0,0,1|2,0,0]=4 862 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 22a_100000106764_100000189346 [0,1,0,0,0,1|2,0,0]=4 863 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 527a_100000106764_100000189346 [0,1,0,0,0,1|2,0,0]=4 864 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 11a_100000106764_100000210664 [0,1,0,0,0,1|2,0,0]=4 865 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 1626a_100000106764_100000210664 [0,1,0,0,0,1|2,0,0]=4 866 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 22a_100000106764_100000210664 [0,1,0,0,0,1|2,0,0]=4 867 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 527a_100000106764_100000210664 [0,1,0,0,0,1|2,0,0]=4 868 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 11a_100000106764_100000210390 [0,1,0,0,0,1|2,0,0]=4 869 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 1626a_100000106764_100000210390 [0,1,0,0,0,1|2,0,0]=4 870 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 22a_100000106764_100000210390 [0,1,0,0,0,1|2,0,0]=4 871 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 527a_100000106764_100000210390 [0,1,0,0,0,1|2,0,0]=4 872 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 11a_100000106764_100000210950 [0,1,0,0,0,1|2,0,0]=4 873 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 1626a_100000106764_100000210950 [0,1,0,0,0,1|2,0,0]=4 874 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 22a_100000106764_100000210950 [0,1,0,0,0,1|2,0,0]=4 875 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 527a_100000106764_100000210950 [0,1,0,0,0,1|2,0,0]=4 876 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 11a_100000106764_100000184098 [0,1,0,0,0,1|2,0,0]=4 877 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 1626a_100000106764_100000184098 [0,1,0,0,0,1|2,0,0]=4 878 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 22a_100000106764_100000184098 [0,1,0,0,0,1|2,0,0]=4 879 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 527a_100000106764_100000184098 [0,1,0,0,0,1|2,0,0]=4 880 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 22a_100000106764_100000183914 [0,1,0,0,0,1|2,0,0]=4 881 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 271570a_203496583355_200000153492 [0,1,0,0,0,1|2,0,0]=4 882 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 527a_100000106764_100000183914 [0,1,0,0,0,1|2,0,0]=4 883 B17R2.5273 O=C(Nc1ccccc1)c2ccnc(c2)O 271570a_203496583355_100000229806 [0,1,0,0,0,1|1,0,1]=4 884 B17R2.5273 O=C(Nc1ccccc1)c2cncc(c2)O 271570a_203496583355_200000153502 [0,1,0,0,0,1|1,0,0]=3 885 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 11a_100000188690_100000185807 [0,1,0,0,0,1|2,0,0]=4 886 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 1626a_100000188690_100000185807 [0,1,0,0,0,1|2,0,0]=4 887 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 22a_100000188690_100000185807 [0,1,0,0,0,1|2,0,0]=4 888 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 527a_100000188690_100000185807 [0,1,0,0,0,1|2,0,0]=4 889 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 11a_100000210019_100000185807 [0,1,0,0,0,1|2,0,0]=4 890 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 1626a_100000210019_100000185807 [0,1,0,0,0,1|2,0,0]=4 891 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 22a_100000210019_100000185807 [0,1,0,0,0,1|2,0,0]=4 892 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 527a_100000210019_100000185807 [0,1,0,0,0,1|2,0,0]=4 893 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 11a_100000185859_100000185807 [0,1,0,0,0,1|2,0,0]=4 894 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 1626a_100000185859_100000185807 [0,1,0,0,0,1|2,0,0]=4 895 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 22a_100000185859_100000185807 [0,1,0,0,0,1|2,0,0]=4 896 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 11a_100000210047_100000185807 [0,1,0,0,0,1|2,0,0]=4 897 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 1626a_100000210047_100000185807 [0,1,0,0,0,1|2,0,0]=4 898 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 22a_100000210047_100000185807 [0,1,0,0,0,1|2,0,0]=4 899 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 527a_100000210047_100000185807 [0,1,0,0,0,1|2,0,0]=4 900 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 11a_100000211102_100000185807 [0,1,0,0,0,1|2,0,0]=4 901 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 1626a_100000211102_100000185807 [0,1,0,0,0,1|2,0,0]=4 902 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 22a_100000211102_100000185807 [0,1,0,0,0,1|2,0,0]=4 903 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 527a_100000211102_100000185807 [0,1,0,0,0,1|2,0,0]=4 904 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 1626a_100000210217_100000185807 [0,1,0,0,0,1|2,0,0]=4 905 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 22a_100000210217_100000185807 [0,1,0,0,0,1|2,0,0]=4 906 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 271570a_203496583355_100000153631 [0,1,0,0,0,1|2,0,0]=4 907 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 527a_100000210217_100000185807 [0,1,0,0,0,1|2,0,0]=4 908 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 11a_100000210012_100000185807 [0,1,0,0,0,1|2,0,0]=4 909 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 1626a_100000210012_100000185807 [0,1,0,0,0,1|2,0,0]=4 910 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 22a_100000210012_100000185807 [0,1,0,0,0,1|2,0,0]=4 911 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccn2 20a_100000106764_100016994956 [0,1,0,0,0,1|2,0,0]=4 912 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccn2 232682a_100000106764_100016994956 [0,1,0,0,0,1|2,0,0]=4 913 B17R2.20249 O=S(=O)(Nc1ccccc1)c2cccnc2 20a_100000106764_100000736704 [0,1,0,0,0,1|2,0,0]=4 914 B17R2.20249 O=S(=O)(Nc1ccccc1)c2cccnc2 232682a_100000106764_100000736704 [0,1,0,0,0,1|2,0,0]=4 915 B17R2.347 Cc1ccc(cc1)CC(=O)Cc2ccon2 1458a_100000212244_100000234950 [0,1,0,0,0,1|2,0,0]=4 916 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2c[nH]cn2 22a_100000124888_100015291406 [0,1,0,0,0,1|2,0,0]=4 917 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccc[nH]2 11a_100000124888_100000238377 [0,1,0,0,0,1|1,0,1]=4 918 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccc[nH]2 22a_100000124888_100000238377 [0,1,0,0,0,1|1,0,1]=4 919 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccc[nH]2 527a_100000124888_100000238377 [0,1,0,0,0,1|1,0,1]=4 920 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccco2 11a_100000124888_100011217309 [0,1,0,0,0,1|2,0,0]=4 921 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccco2 22a_100000124888_100011217309 [0,1,0,0,0,1|2,0,0]=4 922 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccco2 527a_100000124888_100011217309 [0,1,0,0,0,1|2,0,0]=4 923 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2cccs2 11a_100000124888_100000210189 [0,1,0,0,0,1|2,0,0]=4 924 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2cccs2 1626a_100000124888_100000210189 [0,1,0,0,0,1|2,0,0]=4 925 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2cccs2 22a_100000124888_100000210189 [0,1,0,0,0,1|2,0,0]=4 926 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccn[nH]2 11a_100000124888_100000752941 [0,1,0,0,0,1|0,0,2]=4 927 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccn[nH]2 1626a_100000124888_100000752941 [0,1,0,0,0,1|0,0,2]=4 928 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccn[nH]2 22a_100000124888_100000752941 [0,1,0,0,0,1|0,0,2]=4 929 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccn[nH]2 527a_100000124888_100000752941 [0,1,0,0,0,1|0,0,2]=4 930 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccoc2 11a_100000124888_100000684892 [0,1,0,0,0,1|2,0,0]=4 931 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccoc2 1626a_100000124888_100000684892 [0,1,0,0,0,1|2,0,0]=4 932 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccoc2 22a_100000124888_100000684892 [0,1,0,0,0,1|2,0,0]=4 933 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccoc2 527a_100000124888_100000684892 [0,1,0,0,0,1|2,0,0]=4 934 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccsc2 11a_100000124888_100000184062 [0,1,0,0,0,1|2,0,0]=4 935 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccsc2 1626a_100000124888_100000184062 [0,1,0,0,0,1|2,0,0]=4 936 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccsc2 22a_100000124888_100000184062 [0,1,0,0,0,1|2,0,0]=4 937 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2ccsc2 527a_100000124888_100000184062 [0,1,0,0,0,1|2,0,0]=4 938 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2cscn2 11a_100000124888_100011438297 [0,1,0,0,0,1|2,0,0]=4 939 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2cscn2 1626a_100000124888_100011438297 [0,1,0,0,0,1|2,0,0]=4 940 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2cscn2 22a_100000124888_100011438297 [0,1,0,0,0,1|2,0,0]=4 941 B17R2.347 Cc1ccc(cc1)NC(=O)Cc2cscn2 527a_100000124888_100011438297 [0,1,0,0,0,1|2,0,0]=4 942 B17R2.347 Cc1ccc(cc1)NC(=O)Cn2cccn2 11a_100000124888_100000233772 [0,1,0,0,0,1|2,0,0]=4 943 B17R2.347 Cc1ccc(cc1)NC(=O)Cn2cccn2 1626a_100000124888_100000233772 [0,1,0,0,0,1|2,0,0]=4 944 B17R2.347 Cc1ccc(cc1)NC(=O)Cn2cccn2 22a_100000124888_100000233772 [0,1,0,0,0,1|2,0,0]=4 945 B17R2.347 Cc1ccc(cc1)NC(=O)Cn2cccn2 527a_100000124888_100000233772 [0,1,0,0,0,1|2,0,0]=4 946 B17R2.347 Cc1ccc(cc1)NC(=O)Cn2ccnn2 11a_100000124888_100000080816 [0,1,0,0,0,1|1,0,1]=4 947 B17R2.347 Cc1ccc(cc1)NC(=O)Cn2ccnn2 1626a_100000124888_100000080816 [0,1,0,0,0,1|1,0,1]=4 948 B17R2.347 Cc1ccc(cc1)NC(=O)Cn2ccnn2 22a_100000124888_100000080816 [0,1,0,0,0,1|1,0,1]=4 949 B17R2.347 Cc1ccc(cc1)NC(=O)NC2C=CN=N2 2430a_100000124888_100134613517 [0,1,0,0,0,1|0,0,2]=4 950 B17R2.347 O=C(Cc1c[nH]cn1)Nc2ccc(cc2)Br 22a_100000210018_100015291406 [0,1,0,0,0,1|2,0,0]=4 951 B17R2.347 O=C(Cc1c[nH]cn1)Nc2ccc(cc2)Cl 22a_100000210052_100015291406 [0,1,0,0,0,1|2,0,0]=4 952 B17R2.347 O=C(Cc1c[nH]cn1)Nc2ccc(cc2)F 22a_100000185862_100015291406 [0,1,0,0,0,1|2,0,0]=4 953 B17R2.347 O=C(Cc1c[nH]cn1)Nc2ccc(cc2)I 22a_100000185761_100015291406 [0,1,0,0,0,1|2,0,0]=4 954 B17R2.347 O=C(Cc1c[nH]cn1)Nc2ccc(cc2)O 22a_100000185829_100015291406 [0,1,0,0,0,1|2,0,0]=4 955 B17R2.347 O=C(Cc1ccc(cc1)Br)Cc2ccon2 1458a_100000198978_100000234950 [0,1,0,0,0,1|2,0,0]=4 956 B17R2.347 O=C(Cc1ccc(cc1)Cl)Cc2ccon2 1458a_100000211027_100000234950 [0,1,0,0,0,1|2,0,0]=4 957 B17R2.347 O=C(Cc1ccc(cc1)F)Cc2ccon2 1458a_100000210951_100000234950 [0,1,0,0,0,1|2,0,0]=4 958 B17R2.347 O=C(Cc1ccc(cc1)I)Cc2ccon2 1458a_100000688869_100000234950 [0,1,0,0,0,1|2,0,0]=4 959 B17R2.347 O=C(Cc1ccc(cc1)O)Cc2ccon2 1458a_100000198540_100000234950 [0,1,0,0,0,1|2,0,0]=4 960 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)Br 11a_100000210018_100000238377 [0,1,0,0,0,1|1,0,1]=4 961 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)Br 22a_100000210018_100000238377 [0,1,0,0,0,1|1,0,1]=4 962 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)Br 527a_100000210018_100000238377 [0,1,0,0,0,1|1,0,1]=4 963 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)Cl 11a_100000210052_100000238377 [0,1,0,0,0,1|1,0,1]=4 964 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)Cl 22a_100000210052_100000238377 [0,1,0,0,0,1|1,0,1]=4 965 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)Cl 527a_100000210052_100000238377 [0,1,0,0,0,1|1,0,1]=4 966 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)F 11a_100000185862_100000238377 [0,1,0,0,0,1|1,0,1]=4 967 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)F 22a_100000185862_100000238377 [0,1,0,0,0,1|1,0,1]=4 968 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)F 527a_100000185862_100000238377 [0,1,0,0,0,1|1,0,1]=4 969 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)I 11a_100000185761_100000238377 [0,1,0,0,0,1|1,0,1]=4 970 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)I 22a_100000185761_100000238377 [0,1,0,0,0,1|1,0,1]=4 971 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)I 527a_100000185761_100000238377 [0,1,0,0,0,1|1,0,1]=4 972 B17R2.347 O=C(Cc1ccc[nH]1)Nc2ccc(cc2)O 22a_100000185829_100000238377 [0,1,0,0,0,1|1,0,1]=4 973 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)Br 11a_100000210018_100011217309 [0,1,0,0,0,1|2,0,0]=4 974 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)Br 22a_100000210018_100011217309 [0,1,0,0,0,1|2,0,0]=4 975 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)Br 527a_100000210018_100011217309 [0,1,0,0,0,1|2,0,0]=4 976 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)Cl 11a_100000210052_100011217309 [0,1,0,0,0,1|2,0,0]=4 977 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)Cl 22a_100000210052_100011217309 [0,1,0,0,0,1|2,0,0]=4 978 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)Cl 527a_100000210052_100011217309 [0,1,0,0,0,1|2,0,0]=4 979 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)F 11a_100000185862_100011217309 [0,1,0,0,0,1|2,0,0]=4 980 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)F 22a_100000185862_100011217309 [0,1,0,0,0,1|2,0,0]=4 981 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)F 527a_100000185862_100011217309 [0,1,0,0,0,1|2,0,0]=4 982 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)I 11a_100000185761_100011217309 [0,1,0,0,0,1|2,0,0]=4 983 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)I 22a_100000185761_100011217309 [0,1,0,0,0,1|2,0,0]=4 984 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)I 527a_100000185761_100011217309 [0,1,0,0,0,1|2,0,0]=4 985 B17R2.347 O=C(Cc1ccco1)Nc2ccc(cc2)O 22a_100000185829_100011217309 [0,1,0,0,0,1|2,0,0]=4 986 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)Br 11a_100000210018_100000210189 [0,1,0,0,0,1|2,0,0]=4 987 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)Br 1626a_100000210018_100000210189 [0,1,0,0,0,1|2,0,0]=4 988 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)Br 22a_100000210018_100000210189 [0,1,0,0,0,1|2,0,0]=4 989 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)Cl 11a_100000210052_100000210189 [0,1,0,0,0,1|2,0,0]=4 990 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)Cl 1626a_100000210052_100000210189 [0,1,0,0,0,1|2,0,0]=4 991 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)Cl 22a_100000210052_100000210189 [0,1,0,0,0,1|2,0,0]=4 992 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)F 11a_100000185862_100000210189 [0,1,0,0,0,1|2,0,0]=4 993 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)F 1626a_100000185862_100000210189 [0,1,0,0,0,1|2,0,0]=4 994 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)F 22a_100000185862_100000210189 [0,1,0,0,0,1|2,0,0]=4 995 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)I 11a_100000185761_100000210189 [0,1,0,0,0,1|2,0,0]=4 996 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)I 1626a_100000185761_100000210189 [0,1,0,0,0,1|2,0,0]=4 997 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)I 22a_100000185761_100000210189 [0,1,0,0,0,1|2,0,0]=4 998 B17R2.347 O=C(Cc1cccs1)Nc2ccc(cc2)O 22a_100000185829_100000210189 [0,1,0,0,0,1|2,0,0]=4 999 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Br 11a_100000210018_100000752941 [0,1,0,0,0,1|0,0,2]=4 1000 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Br 1626a_100000210018_100000752941 [0,1,0,0,0,1|0,0,2]=4 1001 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Br 22a_100000210018_100000752941 [0,1,0,0,0,1|0,0,2]=4 1002 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Br 527a_100000210018_100000752941 [0,1,0,0,0,1|0,0,2]=4 1003 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Cl 11a_100000210052_100000752941 [0,1,0,0,0,1|0,0,2]=4 1004 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Cl 1626a_100000210052_100000752941 [0,1,0,0,0,1|0,0,2]=4 1005 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Cl 22a_100000210052_100000752941 [0,1,0,0,0,1|0,0,2]=4 1006 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)Cl 527a_100000210052_100000752941 [0,1,0,0,0,1|0,0,2]=4 1007 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)F 11a_100000185862_100000752941 [0,1,0,0,0,1|0,0,2]=4 1008 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)F 1626a_100000185862_100000752941 [0,1,0,0,0,1|0,0,2]=4 1009 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)F 22a_100000185862_100000752941 [0,1,0,0,0,1|0,0,2]=4 1010 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)F 527a_100000185862_100000752941 [0,1,0,0,0,1|0,0,2]=4 1011 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)I 11a_100000185761_100000752941 [0,1,0,0,0,1|0,0,2]=4 1012 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)I 1626a_100000185761_100000752941 [0,1,0,0,0,1|0,0,2]=4 1013 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)I 22a_100000185761_100000752941 [0,1,0,0,0,1|0,0,2]=4 1014 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)I 527a_100000185761_100000752941 [0,1,0,0,0,1|0,0,2]=4 1015 B17R2.347 O=C(Cc1ccn[nH]1)Nc2ccc(cc2)O 22a_100000185829_100000752941 [0,1,0,0,0,1|0,0,2]=4 1016 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Br 11a_100000210018_100000684892 [0,1,0,0,0,1|2,0,0]=4 1017 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Br 1626a_100000210018_100000684892 [0,1,0,0,0,1|2,0,0]=4 1018 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Br 22a_100000210018_100000684892 [0,1,0,0,0,1|2,0,0]=4 1019 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Br 527a_100000210018_100000684892 [0,1,0,0,0,1|2,0,0]=4 1020 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Cl 11a_100000210052_100000684892 [0,1,0,0,0,1|2,0,0]=4 1021 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Cl 1626a_100000210052_100000684892 [0,1,0,0,0,1|2,0,0]=4 1022 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Cl 22a_100000210052_100000684892 [0,1,0,0,0,1|2,0,0]=4 1023 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)Cl 527a_100000210052_100000684892 [0,1,0,0,0,1|2,0,0]=4 1024 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)F 11a_100000185862_100000684892 [0,1,0,0,0,1|2,0,0]=4 1025 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)F 1626a_100000185862_100000684892 [0,1,0,0,0,1|2,0,0]=4 1026 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)F 22a_100000185862_100000684892 [0,1,0,0,0,1|2,0,0]=4 1027 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)F 527a_100000185862_100000684892 [0,1,0,0,0,1|2,0,0]=4 1028 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)I 11a_100000185761_100000684892 [0,1,0,0,0,1|2,0,0]=4 1029 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)I 1626a_100000185761_100000684892 [0,1,0,0,0,1|2,0,0]=4 1030 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)I 22a_100000185761_100000684892 [0,1,0,0,0,1|2,0,0]=4 1031 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)I 527a_100000185761_100000684892 [0,1,0,0,0,1|2,0,0]=4 1032 B17R2.347 O=C(Cc1ccoc1)Nc2ccc(cc2)O 22a_100000185829_100000684892 [0,1,0,0,0,1|2,0,0]=4 1033 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Br 11a_100000210018_100000184062 [0,1,0,0,0,1|2,0,0]=4 1034 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Br 1626a_100000210018_100000184062 [0,1,0,0,0,1|2,0,0]=4 1035 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Br 22a_100000210018_100000184062 [0,1,0,0,0,1|2,0,0]=4 1036 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Br 527a_100000210018_100000184062 [0,1,0,0,0,1|2,0,0]=4 1037 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Cl 11a_100000210052_100000184062 [0,1,0,0,0,1|2,0,0]=4 1038 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Cl 1626a_100000210052_100000184062 [0,1,0,0,0,1|2,0,0]=4 1039 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Cl 22a_100000210052_100000184062 [0,1,0,0,0,1|2,0,0]=4 1040 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)Cl 527a_100000210052_100000184062 [0,1,0,0,0,1|2,0,0]=4 1041 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)F 11a_100000185862_100000184062 [0,1,0,0,0,1|2,0,0]=4 1042 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)F 1626a_100000185862_100000184062 [0,1,0,0,0,1|2,0,0]=4 1043 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)F 22a_100000185862_100000184062 [0,1,0,0,0,1|2,0,0]=4 1044 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)F 527a_100000185862_100000184062 [0,1,0,0,0,1|2,0,0]=4 1045 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)I 11a_100000185761_100000184062 [0,1,0,0,0,1|2,0,0]=4 1046 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)I 1626a_100000185761_100000184062 [0,1,0,0,0,1|2,0,0]=4 1047 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)I 22a_100000185761_100000184062 [0,1,0,0,0,1|2,0,0]=4 1048 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)I 527a_100000185761_100000184062 [0,1,0,0,0,1|2,0,0]=4 1049 B17R2.347 O=C(Cc1ccsc1)Nc2ccc(cc2)O 22a_100000185829_100000184062 [0,1,0,0,0,1|2,0,0]=4 1050 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Br 11a_100000210018_100011438297 [0,1,0,0,0,1|2,0,0]=4 1051 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Br 1626a_100000210018_100011438297 [0,1,0,0,0,1|2,0,0]=4 1052 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Br 22a_100000210018_100011438297 [0,1,0,0,0,1|2,0,0]=4 1053 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Br 527a_100000210018_100011438297 [0,1,0,0,0,1|2,0,0]=4 1054 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Cl 11a_100000210052_100011438297 [0,1,0,0,0,1|2,0,0]=4 1055 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Cl 1626a_100000210052_100011438297 [0,1,0,0,0,1|2,0,0]=4 1056 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Cl 22a_100000210052_100011438297 [0,1,0,0,0,1|2,0,0]=4 1057 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)Cl 527a_100000210052_100011438297 [0,1,0,0,0,1|2,0,0]=4 1058 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)F 11a_100000185862_100011438297 [0,1,0,0,0,1|2,0,0]=4 1059 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)F 1626a_100000185862_100011438297 [0,1,0,0,0,1|2,0,0]=4 1060 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)F 22a_100000185862_100011438297 [0,1,0,0,0,1|2,0,0]=4 1061 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)F 527a_100000185862_100011438297 [0,1,0,0,0,1|2,0,0]=4 1062 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)I 11a_100000185761_100011438297 [0,1,0,0,0,1|2,0,0]=4 1063 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)I 1626a_100000185761_100011438297 [0,1,0,0,0,1|2,0,0]=4 1064 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)I 22a_100000185761_100011438297 [0,1,0,0,0,1|2,0,0]=4 1065 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)I 527a_100000185761_100011438297 [0,1,0,0,0,1|2,0,0]=4 1066 B17R2.347 O=C(Cc1cscn1)Nc2ccc(cc2)O 22a_100000185829_100011438297 [0,1,0,0,0,1|2,0,0]=4 1067 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Br 11a_100000210018_100000233772 [0,1,0,0,0,1|2,0,0]=4 1068 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Br 1626a_100000210018_100000233772 [0,1,0,0,0,1|2,0,0]=4 1069 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Br 22a_100000210018_100000233772 [0,1,0,0,0,1|2,0,0]=4 1070 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Br 527a_100000210018_100000233772 [0,1,0,0,0,1|2,0,0]=4 1071 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Cl 11a_100000210052_100000233772 [0,1,0,0,0,1|2,0,0]=4 1072 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Cl 1626a_100000210052_100000233772 [0,1,0,0,0,1|2,0,0]=4 1073 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Cl 22a_100000210052_100000233772 [0,1,0,0,0,1|2,0,0]=4 1074 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)Cl 527a_100000210052_100000233772 [0,1,0,0,0,1|2,0,0]=4 1075 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)F 11a_100000185862_100000233772 [0,1,0,0,0,1|2,0,0]=4 1076 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)F 1626a_100000185862_100000233772 [0,1,0,0,0,1|2,0,0]=4 1077 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)F 22a_100000185862_100000233772 [0,1,0,0,0,1|2,0,0]=4 1078 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)F 527a_100000185862_100000233772 [0,1,0,0,0,1|2,0,0]=4 1079 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)I 11a_100000185761_100000233772 [0,1,0,0,0,1|2,0,0]=4 1080 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)I 1626a_100000185761_100000233772 [0,1,0,0,0,1|2,0,0]=4 1081 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)I 22a_100000185761_100000233772 [0,1,0,0,0,1|2,0,0]=4 1082 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)I 527a_100000185761_100000233772 [0,1,0,0,0,1|2,0,0]=4 1083 B17R2.347 O=C(Cn1cccn1)Nc2ccc(cc2)O 22a_100000185829_100000233772 [0,1,0,0,0,1|2,0,0]=4 1084 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)Br 11a_100000210018_100000080816 [0,1,0,0,0,1|1,0,1]=4 1085 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)Br 1626a_100000210018_100000080816 [0,1,0,0,0,1|1,0,1]=4 1086 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)Br 22a_100000210018_100000080816 [0,1,0,0,0,1|1,0,1]=4 1087 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)Cl 11a_100000210052_100000080816 [0,1,0,0,0,1|1,0,1]=4 1088 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)Cl 1626a_100000210052_100000080816 [0,1,0,0,0,1|1,0,1]=4 1089 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)Cl 22a_100000210052_100000080816 [0,1,0,0,0,1|1,0,1]=4 1090 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)F 11a_100000185862_100000080816 [0,1,0,0,0,1|1,0,1]=4 1091 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)F 1626a_100000185862_100000080816 [0,1,0,0,0,1|1,0,1]=4 1092 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)F 22a_100000185862_100000080816 [0,1,0,0,0,1|1,0,1]=4 1093 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)I 11a_100000185761_100000080816 [0,1,0,0,0,1|1,0,1]=4 1094 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)I 1626a_100000185761_100000080816 [0,1,0,0,0,1|1,0,1]=4 1095 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)I 22a_100000185761_100000080816 [0,1,0,0,0,1|1,0,1]=4 1096 B17R2.347 O=C(Cn1ccnn1)Nc2ccc(cc2)O 22a_100000185829_100000080816 [0,1,0,0,0,1|1,0,1]=4 1097 B17R2.347 O=C(Nc1ccc(cc1)Br)NC2C=CN=N2 2430a_100000210018_100134613517 [0,1,0,0,0,1|0,0,2]=4 1098 B17R2.347 O=C(Nc1ccc(cc1)Cl)NC2C=CN=N2 2430a_100000210052_100134613517 [0,1,0,0,0,1|0,0,2]=4 1099 B17R2.347 O=C(Nc1ccc(cc1)F)NC2C=CN=N2 2430a_100000185862_100134613517 [0,1,0,0,0,1|0,0,2]=4 1100 B17R2.347 O=C(Nc1ccc(cc1)I)NC2C=CN=N2 2430a_100000185761_100134613517 [0,1,0,0,0,1|0,0,2]=4 1101 B17R2.347 O=C(Nc1ccc(cc1)O)NC2C=CN=N2 2430a_100000185829_100134613517 [0,1,0,0,0,1|0,0,2]=4 1102 B17R2.3229 CN1C=C[NH+](C1)CC(=O)Nc2ccccc2 22a_100000106764_100121571517 [0,1,0,0,0,1|2,0,0]=4 1103 B17R2.3229 CN1C=C[NH+](C1)CC(=O)Nc2ccccc2 527a_100000106764_100121571517 [0,1,0,0,0,1|2,0,0]=4 1104 B17R2.3229 Cc1cc(on1)CC(=O)Nc2ccccc2 11a_100000106764_100000037866 [0,1,0,0,0,1|1,0,1]=4 1105 B17R2.3229 Cc1cc(on1)CC(=O)Nc2ccccc2 1626a_100000106764_100000037866 [0,1,0,0,0,1|1,0,1]=4 1106 B17R2.3229 Cc1cc(on1)CC(=O)Nc2ccccc2 22a_100000106764_100000037866 [0,1,0,0,0,1|1,0,1]=4 1107 B17R2.3229 Cc1ccn(n1)CC(=O)Nc2ccccc2 11a_100000106764_100000238720 [0,1,0,0,0,1|2,0,0]=4 1108 B17R2.3229 Cc1ccn(n1)CC(=O)Nc2ccccc2 1626a_100000106764_100000238720 [0,1,0,0,0,1|2,0,0]=4 1109 B17R2.3229 Cc1ccn(n1)CC(=O)Nc2ccccc2 22a_100000106764_100000238720 [0,1,0,0,0,1|2,0,0]=4 1110 B17R2.3229 Cc1ccn(n1)CC(=O)Nc2ccccc2 527a_100000106764_100000238720 [0,1,0,0,0,1|2,0,0]=4 1111 B17R2.3229 Cc1cn(nn1)CC(=O)Nc2ccccc2 274090a_100000182850_200000242740 [0,1,0,0,0,1|1,0,1]=4 1112 B17R2.3229 Cc1cnn(c1)CC(=O)Nc2ccccc2 11a_100000106764_100000743463 [0,1,0,0,0,1|2,0,0]=4 1113 B17R2.3229 Cc1cnn(c1)CC(=O)Nc2ccccc2 1626a_100000106764_100000743463 [0,1,0,0,0,1|2,0,0]=4 1114 B17R2.3229 Cc1cnn(c1)CC(=O)Nc2ccccc2 22a_100000106764_100000743463 [0,1,0,0,0,1|2,0,0]=4 1115 B17R2.3229 Cc1cnn(c1)CC(=O)Nc2ccccc2 527a_100000106764_100000743463 [0,1,0,0,0,1|2,0,0]=4 1116 B17R2.3229 Cc1csc(n1)CC(=O)Nc2ccccc2 1626a_100000106764_100000734950 [0,1,0,0,0,1|2,0,0]=4 1117 B17R2.3229 Cc1csc(n1)CC(=O)Nc2ccccc2 22a_100000106764_100000734950 [0,1,0,0,0,1|2,0,0]=4 1118 B17R2.3229 Cc1nc(cs1)CC(=O)Nc2ccccc2 11a_100000106764_100000184407 [0,1,0,0,0,1|2,0,0]=4 1119 B17R2.3229 Cc1nc(cs1)CC(=O)Nc2ccccc2 1626a_100000106764_100000184407 [0,1,0,0,0,1|2,0,0]=4 1120 B17R2.3229 Cc1nc(cs1)CC(=O)Nc2ccccc2 22a_100000106764_100000184407 [0,1,0,0,0,1|2,0,0]=4 1121 B17R2.3229 Cc1nc(cs1)CC(=O)Nc2ccccc2 527a_100000106764_100000184407 [0,1,0,0,0,1|2,0,0]=4 1122 B17R2.3229 Cc1nc(n[nH]1)CC(=O)Cc2ccccc2 1458a_100011457670_100015291786 [0,1,0,0,0,1|2,0,0]=4 1123 B17R2.3229 Cc1nc(n[nH]1)CC(=O)Nc2ccccc2 22a_100000106764_100011457670 [0,1,0,0,0,1|1,0,0]=3 1124 B17R2.3229 Cc1nc(no1)CC(=O)Nc2ccccc2 11a_100000106764_100000105485 [0,1,0,0,0,1|2,0,0]=4 1125 B17R2.3229 Cc1nc(no1)CC(=O)Nc2ccccc2 1626a_100000106764_100000105485 [0,1,0,0,0,1|2,0,0]=4 1126 B17R2.3229 Cc1nc(no1)CC(=O)Nc2ccccc2 22a_100000106764_100000105485 [0,1,0,0,0,1|2,0,0]=4 1127 B17R2.3229 Cc1nc(no1)CC(=O)Nc2ccccc2 270196a_100000182397_100000070787 [0,1,0,0,0,1|2,0,0]=4 1128 B17R2.3229 Cn1cc[n+](c1)CC(=O)Nc2ccccc2 11a_100000106764_100000765871 [0,1,0,0,0,1|2,0,0]=4 1129 B17R2.3229 Cn1cc[n+](c1)CC(=O)Nc2ccccc2 22a_100000106764_100000765871 [0,1,0,0,0,1|2,0,0]=4 1130 B17R2.3229 Cn1cc[n+](c1)CC(=O)Nc2ccccc2 527a_100000106764_100000765871 [0,1,0,0,0,1|2,0,0]=4 1131 B17R2.3229 Cn1ccc(n1)CC(=O)C[n+]2ccccc2 1458a_200000086051_100000726502 [0,1,0,0,0,1|2,0,0]=4 1132 B17R2.3229 Cn1ccc(n1)CC(=O)Cc2ccccn2 1458a_100000233486_100000726502 [0,1,0,0,0,1|2,0,0]=4 1133 B17R2.3229 Cn1ccc(n1)CC(=O)Cc2cccnc2 1458a_100000737805_100000726502 [0,1,0,0,0,1|2,0,0]=4 1134 B17R2.3229 Cn1cnc(c1)CC(=O)Nc2ccccc2 11a_100000106764_100011512828 [0,1,0,0,0,1|2,0,0]=4 1135 B17R2.3229 Cn1cnc(c1)CC(=O)Nc2ccccc2 1626a_100000106764_100011512828 [0,1,0,0,0,1|2,0,0]=4 1136 B17R2.3229 Cn1cnc(c1)CC(=O)Nc2ccccc2 22a_100000106764_100011512828 [0,1,0,0,0,1|2,0,0]=4 1137 B17R2.3229 Cn1cnc(c1)CC(=O)Nc2ccccc2 527a_100000106764_100011512828 [0,1,0,0,0,1|2,0,0]=4 1138 B17R2.3229 O=C(Cc1cc(cs1)Br)Nc2ccccc2 11a_100000106764_100011542370 [0,1,0,0,0,1|2,0,0]=4 1139 B17R2.3229 O=C(Cc1cc(cs1)Br)Nc2ccccc2 1626a_100000106764_100011542370 [0,1,0,0,0,1|2,0,0]=4 1140 B17R2.3229 O=C(Cc1cc(cs1)Br)Nc2ccccc2 22a_100000106764_100011542370 [0,1,0,0,0,1|2,0,0]=4 1141 B17R2.3229 O=C(Cc1ccc(s1)Br)Nc2ccccc2 11a_100000106764_100000238643 [0,1,0,0,0,1|2,0,0]=4 1142 B17R2.3229 O=C(Cc1ccc(s1)Br)Nc2ccccc2 1626a_100000106764_100000238643 [0,1,0,0,0,1|2,0,0]=4 1143 B17R2.3229 O=C(Cc1ccc(s1)Br)Nc2ccccc2 22a_100000106764_100000238643 [0,1,0,0,0,1|2,0,0]=4 1144 B17R2.3229 O=C(Cc1ccc(s1)Cl)Nc2ccccc2 11a_100000106764_100000238644 [0,1,0,0,0,1|2,0,0]=4 1145 B17R2.3229 O=C(Cc1ccc(s1)Cl)Nc2ccccc2 1626a_100000106764_100000238644 [0,1,0,0,0,1|2,0,0]=4 1146 B17R2.3229 O=C(Cc1ccc(s1)Cl)Nc2ccccc2 22a_100000106764_100000238644 [0,1,0,0,0,1|2,0,0]=4 1147 B17R2.3229 O=C(Cc1noc(n1)O)Nc2ccccc2 270196a_100000182397_100015183105 [0,1,0,0,0,1|2,0,0]=4 1148 B17R2.3229 O=C(Cn1cc(cn1)Br)Nc2ccccc2 11a_100000106764_100000238729 [0,1,0,0,0,1|2,0,0]=4 1149 B17R2.3229 O=C(Cn1cc(cn1)Br)Nc2ccccc2 1626a_100000106764_100000238729 [0,1,0,0,0,1|2,0,0]=4 1150 B17R2.3229 O=C(Cn1cc(cn1)Br)Nc2ccccc2 22a_100000106764_100000238729 [0,1,0,0,0,1|2,0,0]=4 1151 B17R2.3229 O=C(Cn1cc(cn1)Br)Nc2ccccc2 527a_100000106764_100000238729 [0,1,0,0,0,1|2,0,0]=4 1152 B17R2.3229 O=C(Cn1cc(cn1)Cl)Nc2ccccc2 11a_100000106764_100000759256 [0,1,0,0,0,1|2,0,0]=4 1153 B17R2.3229 O=C(Cn1cc(cn1)Cl)Nc2ccccc2 1626a_100000106764_100000759256 [0,1,0,0,0,1|2,0,0]=4 1154 B17R2.3229 O=C(Cn1cc(cn1)Cl)Nc2ccccc2 22a_100000106764_100000759256 [0,1,0,0,0,1|2,0,0]=4 1155 B17R2.3229 O=C(Cn1cc(cn1)Cl)Nc2ccccc2 527a_100000106764_100000759256 [0,1,0,0,0,1|2,0,0]=4 1156 B17R2.3229 O=C(Cn1cc(cn1)I)Nc2ccccc2 11a_100000106764_100012072407 [0,1,0,0,0,1|2,0,0]=4 1157 B17R2.3229 O=C(Cn1cc(cn1)I)Nc2ccccc2 1626a_100000106764_100012072407 [0,1,0,0,0,1|2,0,0]=4 1158 B17R2.3229 O=C(Cn1cc(cn1)I)Nc2ccccc2 22a_100000106764_100012072407 [0,1,0,0,0,1|2,0,0]=4 1159 B17R2.3229 O=C(Cn1cc(cn1)I)Nc2ccccc2 527a_100000106764_100012072407 [0,1,0,0,0,1|2,0,0]=4 1160 B17R2.3372 Cc1cccc(c1)CC(=O)Cc2ccon2 1458a_100011206899_100000234950 [0,1,0,0,0,1|2,0,0]=4 1161 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2c[nH]cn2 22a_100000188690_100015291406 [0,1,0,0,0,1|2,0,0]=4 1162 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccc[nH]2 11a_100000188690_100000238377 [0,1,0,0,0,1|1,0,1]=4 1163 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccc[nH]2 22a_100000188690_100000238377 [0,1,0,0,0,1|1,0,1]=4 1164 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccc[nH]2 527a_100000188690_100000238377 [0,1,0,0,0,1|1,0,1]=4 1165 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccco2 11a_100000188690_100011217309 [0,1,0,0,0,1|2,0,0]=4 1166 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccco2 22a_100000188690_100011217309 [0,1,0,0,0,1|2,0,0]=4 1167 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccco2 527a_100000188690_100011217309 [0,1,0,0,0,1|2,0,0]=4 1168 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2cccs2 11a_100000188690_100000210189 [0,1,0,0,0,1|2,0,0]=4 1169 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2cccs2 1626a_100000188690_100000210189 [0,1,0,0,0,1|2,0,0]=4 1170 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2cccs2 22a_100000188690_100000210189 [0,1,0,0,0,1|2,0,0]=4 1171 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccn[nH]2 11a_100000188690_100000752941 [0,1,0,0,0,1|0,0,2]=4 1172 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccn[nH]2 1626a_100000188690_100000752941 [0,1,0,0,0,1|0,0,2]=4 1173 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccn[nH]2 22a_100000188690_100000752941 [0,1,0,0,0,1|0,0,2]=4 1174 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccn[nH]2 527a_100000188690_100000752941 [0,1,0,0,0,1|0,0,2]=4 1175 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccoc2 11a_100000188690_100000684892 [0,1,0,0,0,1|2,0,0]=4 1176 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccoc2 1626a_100000188690_100000684892 [0,1,0,0,0,1|2,0,0]=4 1177 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccoc2 22a_100000188690_100000684892 [0,1,0,0,0,1|2,0,0]=4 1178 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccoc2 527a_100000188690_100000684892 [0,1,0,0,0,1|2,0,0]=4 1179 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccsc2 11a_100000188690_100000184062 [0,1,0,0,0,1|2,0,0]=4 1180 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccsc2 1626a_100000188690_100000184062 [0,1,0,0,0,1|2,0,0]=4 1181 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccsc2 22a_100000188690_100000184062 [0,1,0,0,0,1|2,0,0]=4 1182 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2ccsc2 527a_100000188690_100000184062 [0,1,0,0,0,1|2,0,0]=4 1183 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2cscn2 11a_100000188690_100011438297 [0,1,0,0,0,1|2,0,0]=4 1184 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2cscn2 1626a_100000188690_100011438297 [0,1,0,0,0,1|2,0,0]=4 1185 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2cscn2 22a_100000188690_100011438297 [0,1,0,0,0,1|2,0,0]=4 1186 B17R2.3372 Cc1cccc(c1)NC(=O)Cc2cscn2 527a_100000188690_100011438297 [0,1,0,0,0,1|2,0,0]=4 1187 B17R2.3372 Cc1cccc(c1)NC(=O)Cn2cccn2 11a_100000188690_100000233772 [0,1,0,0,0,1|2,0,0]=4 1188 B17R2.3372 Cc1cccc(c1)NC(=O)Cn2cccn2 1626a_100000188690_100000233772 [0,1,0,0,0,1|2,0,0]=4 1189 B17R2.3372 Cc1cccc(c1)NC(=O)Cn2cccn2 22a_100000188690_100000233772 [0,1,0,0,0,1|2,0,0]=4 1190 B17R2.3372 Cc1cccc(c1)NC(=O)Cn2cccn2 527a_100000188690_100000233772 [0,1,0,0,0,1|2,0,0]=4 1191 B17R2.3372 Cc1cccc(c1)NC(=O)Cn2ccnn2 11a_100000188690_100000080816 [0,1,0,0,0,1|1,0,1]=4 1192 B17R2.3372 Cc1cccc(c1)NC(=O)Cn2ccnn2 1626a_100000188690_100000080816 [0,1,0,0,0,1|1,0,1]=4 1193 B17R2.3372 Cc1cccc(c1)NC(=O)Cn2ccnn2 22a_100000188690_100000080816 [0,1,0,0,0,1|1,0,1]=4 1194 B17R2.3372 Cc1cccc(c1)NC(=O)NC2C=CN=N2 2430a_100000188690_100134613517 [0,1,0,0,0,1|0,0,2]=4 1195 B17R2.3372 Cc1cccc(c1)NC(=O)NC2C=CN=N2 512a_100000188690_100134613517 [0,1,0,0,0,1|0,0,2]=4 1196 B17R2.3372 O=C(Cc1c[nH]cn1)Nc2cccc(c2)Br 22a_100000210019_100015291406 [0,1,0,0,0,1|2,0,0]=4 1197 B17R2.3372 O=C(Cc1c[nH]cn1)Nc2cccc(c2)Cl 22a_100000185859_100015291406 [0,1,0,0,0,1|2,0,0]=4 1198 B17R2.3372 O=C(Cc1c[nH]cn1)Nc2cccc(c2)F 22a_100000210047_100015291406 [0,1,0,0,0,1|2,0,0]=4 1199 B17R2.3372 O=C(Cc1c[nH]cn1)Nc2cccc(c2)I 22a_100000211102_100015291406 [0,1,0,0,0,1|2,0,0]=4 1200 B17R2.3372 O=C(Cc1c[nH]cn1)Nc2cccc(c2)O 22a_100000210217_100015291406 [0,1,0,0,0,1|2,0,0]=4 1201 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)Br 11a_100000210019_100000238377 [0,1,0,0,0,1|1,0,1]=4 1202 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)Br 22a_100000210019_100000238377 [0,1,0,0,0,1|1,0,1]=4 1203 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)Br 527a_100000210019_100000238377 [0,1,0,0,0,1|1,0,1]=4 1204 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)Cl 11a_100000185859_100000238377 [0,1,0,0,0,1|1,0,1]=4 1205 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)Cl 22a_100000185859_100000238377 [0,1,0,0,0,1|1,0,1]=4 1206 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)F 11a_100000210047_100000238377 [0,1,0,0,0,1|1,0,1]=4 1207 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)F 22a_100000210047_100000238377 [0,1,0,0,0,1|1,0,1]=4 1208 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)F 527a_100000210047_100000238377 [0,1,0,0,0,1|1,0,1]=4 1209 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)I 11a_100000211102_100000238377 [0,1,0,0,0,1|1,0,1]=4 1210 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)I 22a_100000211102_100000238377 [0,1,0,0,0,1|1,0,1]=4 1211 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)I 527a_100000211102_100000238377 [0,1,0,0,0,1|1,0,1]=4 1212 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)O 22a_100000210217_100000238377 [0,1,0,0,0,1|1,0,1]=4 1213 B17R2.3372 O=C(Cc1ccc[nH]1)Nc2cccc(c2)O 527a_100000210217_100000238377 [0,1,0,0,0,1|1,0,1]=4 1214 B17R2.3372 O=C(Cc1cccc(c1)Br)Cc2ccon2 1458a_100000747190_100000234950 [0,1,0,0,0,1|2,0,0]=4 1215 B17R2.3372 O=C(Cc1cccc(c1)Cl)Cc2ccon2 1458a_100000749307_100000234950 [0,1,0,0,0,1|2,0,0]=4 1216 B17R2.3372 O=C(Cc1cccc(c1)F)Cc2ccon2 1458a_100000211661_100000234950 [0,1,0,0,0,1|2,0,0]=4 1217 B17R2.3372 O=C(Cc1cccc(c1)I)Cc2ccon2 1458a_100000238430_100000234950 [0,1,0,0,0,1|2,0,0]=4 1218 B17R2.3372 O=C(Cc1cccc(c1)O)Cc2ccon2 1458a_100000745134_100000234950 [0,1,0,0,0,1|2,0,0]=4 1219 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)Br 11a_100000210019_100011217309 [0,1,0,0,0,1|2,0,0]=4 1220 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)Br 22a_100000210019_100011217309 [0,1,0,0,0,1|2,0,0]=4 1221 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)Br 527a_100000210019_100011217309 [0,1,0,0,0,1|2,0,0]=4 1222 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)Cl 11a_100000185859_100011217309 [0,1,0,0,0,1|2,0,0]=4 1223 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)Cl 22a_100000185859_100011217309 [0,1,0,0,0,1|2,0,0]=4 1224 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)F 11a_100000210047_100011217309 [0,1,0,0,0,1|2,0,0]=4 1225 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)F 22a_100000210047_100011217309 [0,1,0,0,0,1|2,0,0]=4 1226 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)F 527a_100000210047_100011217309 [0,1,0,0,0,1|2,0,0]=4 1227 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)I 11a_100000211102_100011217309 [0,1,0,0,0,1|2,0,0]=4 1228 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)I 22a_100000211102_100011217309 [0,1,0,0,0,1|2,0,0]=4 1229 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)I 527a_100000211102_100011217309 [0,1,0,0,0,1|2,0,0]=4 1230 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)O 22a_100000210217_100011217309 [0,1,0,0,0,1|2,0,0]=4 1231 B17R2.3372 O=C(Cc1ccco1)Nc2cccc(c2)O 527a_100000210217_100011217309 [0,1,0,0,0,1|2,0,0]=4 1232 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)Br 11a_100000210019_100000210189 [0,1,0,0,0,1|2,0,0]=4 1233 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)Br 1626a_100000210019_100000210189 [0,1,0,0,0,1|2,0,0]=4 1234 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)Br 22a_100000210019_100000210189 [0,1,0,0,0,1|2,0,0]=4 1235 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)Cl 11a_100000185859_100000210189 [0,1,0,0,0,1|2,0,0]=4 1236 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)Cl 1626a_100000185859_100000210189 [0,1,0,0,0,1|2,0,0]=4 1237 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)Cl 22a_100000185859_100000210189 [0,1,0,0,0,1|2,0,0]=4 1238 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)F 11a_100000210047_100000210189 [0,1,0,0,0,1|2,0,0]=4 1239 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)F 1626a_100000210047_100000210189 [0,1,0,0,0,1|2,0,0]=4 1240 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)F 22a_100000210047_100000210189 [0,1,0,0,0,1|2,0,0]=4 1241 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)I 11a_100000211102_100000210189 [0,1,0,0,0,1|2,0,0]=4 1242 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)I 1626a_100000211102_100000210189 [0,1,0,0,0,1|2,0,0]=4 1243 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)I 22a_100000211102_100000210189 [0,1,0,0,0,1|2,0,0]=4 1244 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)O 1626a_100000210217_100000210189 [0,1,0,0,0,1|2,0,0]=4 1245 B17R2.3372 O=C(Cc1cccs1)Nc2cccc(c2)O 22a_100000210217_100000210189 [0,1,0,0,0,1|2,0,0]=4 1246 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)Br 11a_100000210019_100000752941 [0,1,0,0,0,1|0,0,2]=4 1247 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)Br 1626a_100000210019_100000752941 [0,1,0,0,0,1|0,0,2]=4 1248 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)Br 22a_100000210019_100000752941 [0,1,0,0,0,1|0,0,2]=4 1249 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)Br 527a_100000210019_100000752941 [0,1,0,0,0,1|0,0,2]=4 1250 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)Cl 11a_100000185859_100000752941 [0,1,0,0,0,1|0,0,2]=4 1251 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)Cl 1626a_100000185859_100000752941 [0,1,0,0,0,1|0,0,2]=4 1252 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)Cl 22a_100000185859_100000752941 [0,1,0,0,0,1|0,0,2]=4 1253 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)F 11a_100000210047_100000752941 [0,1,0,0,0,1|0,0,2]=4 1254 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)F 1626a_100000210047_100000752941 [0,1,0,0,0,1|0,0,2]=4 1255 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)F 22a_100000210047_100000752941 [0,1,0,0,0,1|0,0,2]=4 1256 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)F 527a_100000210047_100000752941 [0,1,0,0,0,1|0,0,2]=4 1257 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)I 11a_100000211102_100000752941 [0,1,0,0,0,1|0,0,2]=4 1258 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)I 1626a_100000211102_100000752941 [0,1,0,0,0,1|0,0,2]=4 1259 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)I 22a_100000211102_100000752941 [0,1,0,0,0,1|0,0,2]=4 1260 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)I 527a_100000211102_100000752941 [0,1,0,0,0,1|0,0,2]=4 1261 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)O 1626a_100000210217_100000752941 [0,1,0,0,0,1|0,0,2]=4 1262 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)O 22a_100000210217_100000752941 [0,1,0,0,0,1|0,0,2]=4 1263 B17R2.3372 O=C(Cc1ccn[nH]1)Nc2cccc(c2)O 527a_100000210217_100000752941 [0,1,0,0,0,1|0,0,2]=4 1264 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)Br 11a_100000210019_100000684892 [0,1,0,0,0,1|2,0,0]=4 1265 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)Br 1626a_100000210019_100000684892 [0,1,0,0,0,1|2,0,0]=4 1266 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)Br 22a_100000210019_100000684892 [0,1,0,0,0,1|2,0,0]=4 1267 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)Br 527a_100000210019_100000684892 [0,1,0,0,0,1|2,0,0]=4 1268 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)Cl 11a_100000185859_100000684892 [0,1,0,0,0,1|2,0,0]=4 1269 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)Cl 1626a_100000185859_100000684892 [0,1,0,0,0,1|2,0,0]=4 1270 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)Cl 22a_100000185859_100000684892 [0,1,0,0,0,1|2,0,0]=4 1271 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)F 11a_100000210047_100000684892 [0,1,0,0,0,1|2,0,0]=4 1272 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)F 1626a_100000210047_100000684892 [0,1,0,0,0,1|2,0,0]=4 1273 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)F 22a_100000210047_100000684892 [0,1,0,0,0,1|2,0,0]=4 1274 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)F 527a_100000210047_100000684892 [0,1,0,0,0,1|2,0,0]=4 1275 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)I 11a_100000211102_100000684892 [0,1,0,0,0,1|2,0,0]=4 1276 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)I 1626a_100000211102_100000684892 [0,1,0,0,0,1|2,0,0]=4 1277 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)I 22a_100000211102_100000684892 [0,1,0,0,0,1|2,0,0]=4 1278 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)I 527a_100000211102_100000684892 [0,1,0,0,0,1|2,0,0]=4 1279 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)O 1626a_100000210217_100000684892 [0,1,0,0,0,1|2,0,0]=4 1280 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)O 22a_100000210217_100000684892 [0,1,0,0,0,1|2,0,0]=4 1281 B17R2.3372 O=C(Cc1ccoc1)Nc2cccc(c2)O 527a_100000210217_100000684892 [0,1,0,0,0,1|2,0,0]=4 1282 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)Br 11a_100000210019_100000184062 [0,1,0,0,0,1|2,0,0]=4 1283 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)Br 1626a_100000210019_100000184062 [0,1,0,0,0,1|2,0,0]=4 1284 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)Br 22a_100000210019_100000184062 [0,1,0,0,0,1|2,0,0]=4 1285 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)Br 527a_100000210019_100000184062 [0,1,0,0,0,1|2,0,0]=4 1286 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)Cl 11a_100000185859_100000184062 [0,1,0,0,0,1|2,0,0]=4 1287 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)Cl 1626a_100000185859_100000184062 [0,1,0,0,0,1|2,0,0]=4 1288 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)Cl 22a_100000185859_100000184062 [0,1,0,0,0,1|2,0,0]=4 1289 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)F 11a_100000210047_100000184062 [0,1,0,0,0,1|2,0,0]=4 1290 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)F 1626a_100000210047_100000184062 [0,1,0,0,0,1|2,0,0]=4 1291 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)F 22a_100000210047_100000184062 [0,1,0,0,0,1|2,0,0]=4 1292 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)F 527a_100000210047_100000184062 [0,1,0,0,0,1|2,0,0]=4 1293 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)I 11a_100000211102_100000184062 [0,1,0,0,0,1|2,0,0]=4 1294 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)I 1626a_100000211102_100000184062 [0,1,0,0,0,1|2,0,0]=4 1295 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)I 22a_100000211102_100000184062 [0,1,0,0,0,1|2,0,0]=4 1296 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)I 527a_100000211102_100000184062 [0,1,0,0,0,1|2,0,0]=4 1297 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)O 1626a_100000210217_100000184062 [0,1,0,0,0,1|2,0,0]=4 1298 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)O 22a_100000210217_100000184062 [0,1,0,0,0,1|2,0,0]=4 1299 B17R2.3372 O=C(Cc1ccsc1)Nc2cccc(c2)O 527a_100000210217_100000184062 [0,1,0,0,0,1|2,0,0]=4 1300 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)Br 11a_100000210019_100011438297 [0,1,0,0,0,1|2,0,0]=4 1301 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)Br 1626a_100000210019_100011438297 [0,1,0,0,0,1|2,0,0]=4 1302 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)Br 22a_100000210019_100011438297 [0,1,0,0,0,1|2,0,0]=4 1303 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)Br 527a_100000210019_100011438297 [0,1,0,0,0,1|2,0,0]=4 1304 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)Cl 11a_100000185859_100011438297 [0,1,0,0,0,1|2,0,0]=4 1305 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)Cl 1626a_100000185859_100011438297 [0,1,0,0,0,1|2,0,0]=4 1306 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)Cl 22a_100000185859_100011438297 [0,1,0,0,0,1|2,0,0]=4 1307 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)F 11a_100000210047_100011438297 [0,1,0,0,0,1|2,0,0]=4 1308 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)F 1626a_100000210047_100011438297 [0,1,0,0,0,1|2,0,0]=4 1309 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)F 22a_100000210047_100011438297 [0,1,0,0,0,1|2,0,0]=4 1310 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)F 527a_100000210047_100011438297 [0,1,0,0,0,1|2,0,0]=4 1311 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)I 11a_100000211102_100011438297 [0,1,0,0,0,1|2,0,0]=4 1312 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)I 1626a_100000211102_100011438297 [0,1,0,0,0,1|2,0,0]=4 1313 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)I 22a_100000211102_100011438297 [0,1,0,0,0,1|2,0,0]=4 1314 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)I 527a_100000211102_100011438297 [0,1,0,0,0,1|2,0,0]=4 1315 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)O 1626a_100000210217_100011438297 [0,1,0,0,0,1|2,0,0]=4 1316 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)O 22a_100000210217_100011438297 [0,1,0,0,0,1|2,0,0]=4 1317 B17R2.3372 O=C(Cc1cscn1)Nc2cccc(c2)O 527a_100000210217_100011438297 [0,1,0,0,0,1|2,0,0]=4 1318 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)Br 11a_100000210019_100000233772 [0,1,0,0,0,1|2,0,0]=4 1319 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)Br 1626a_100000210019_100000233772 [0,1,0,0,0,1|2,0,0]=4 1320 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)Br 22a_100000210019_100000233772 [0,1,0,0,0,1|2,0,0]=4 1321 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)Br 527a_100000210019_100000233772 [0,1,0,0,0,1|2,0,0]=4 1322 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)Cl 11a_100000185859_100000233772 [0,1,0,0,0,1|2,0,0]=4 1323 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)Cl 1626a_100000185859_100000233772 [0,1,0,0,0,1|2,0,0]=4 1324 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)Cl 22a_100000185859_100000233772 [0,1,0,0,0,1|2,0,0]=4 1325 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)F 11a_100000210047_100000233772 [0,1,0,0,0,1|2,0,0]=4 1326 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)F 1626a_100000210047_100000233772 [0,1,0,0,0,1|2,0,0]=4 1327 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)F 22a_100000210047_100000233772 [0,1,0,0,0,1|2,0,0]=4 1328 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)F 527a_100000210047_100000233772 [0,1,0,0,0,1|2,0,0]=4 1329 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)I 11a_100000211102_100000233772 [0,1,0,0,0,1|2,0,0]=4 1330 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)I 1626a_100000211102_100000233772 [0,1,0,0,0,1|2,0,0]=4 1331 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)I 22a_100000211102_100000233772 [0,1,0,0,0,1|2,0,0]=4 1332 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)I 527a_100000211102_100000233772 [0,1,0,0,0,1|2,0,0]=4 1333 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)O 1626a_100000210217_100000233772 [0,1,0,0,0,1|2,0,0]=4 1334 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)O 22a_100000210217_100000233772 [0,1,0,0,0,1|2,0,0]=4 1335 B17R2.3372 O=C(Cn1cccn1)Nc2cccc(c2)O 527a_100000210217_100000233772 [0,1,0,0,0,1|2,0,0]=4 1336 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)Br 11a_100000210019_100000080816 [0,1,0,0,0,1|1,0,1]=4 1337 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)Br 1626a_100000210019_100000080816 [0,1,0,0,0,1|1,0,1]=4 1338 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)Br 22a_100000210019_100000080816 [0,1,0,0,0,1|1,0,1]=4 1339 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)Cl 11a_100000185859_100000080816 [0,1,0,0,0,1|1,0,1]=4 1340 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)Cl 1626a_100000185859_100000080816 [0,1,0,0,0,1|1,0,1]=4 1341 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)Cl 22a_100000185859_100000080816 [0,1,0,0,0,1|1,0,1]=4 1342 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)F 11a_100000210047_100000080816 [0,1,0,0,0,1|1,0,1]=4 1343 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)F 1626a_100000210047_100000080816 [0,1,0,0,0,1|1,0,1]=4 1344 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)F 22a_100000210047_100000080816 [0,1,0,0,0,1|1,0,1]=4 1345 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)I 11a_100000211102_100000080816 [0,1,0,0,0,1|1,0,1]=4 1346 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)I 1626a_100000211102_100000080816 [0,1,0,0,0,1|1,0,1]=4 1347 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)I 22a_100000211102_100000080816 [0,1,0,0,0,1|1,0,1]=4 1348 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)O 1626a_100000210217_100000080816 [0,1,0,0,0,1|1,0,1]=4 1349 B17R2.3372 O=C(Cn1ccnn1)Nc2cccc(c2)O 22a_100000210217_100000080816 [0,1,0,0,0,1|1,0,1]=4 1350 B17R2.3372 O=C(Nc1cccc(c1)Br)NC2C=CN=N2 2430a_100000210019_100134613517 [0,1,0,0,0,1|0,0,2]=4 1351 B17R2.3372 O=C(Nc1cccc(c1)Br)NC2C=CN=N2 512a_100000210019_100134613517 [0,1,0,0,0,1|0,0,2]=4 1352 B17R2.3372 O=C(Nc1cccc(c1)Cl)NC2C=CN=N2 2430a_100000185859_100134613517 [0,1,0,0,0,1|0,0,2]=4 1353 B17R2.3372 O=C(Nc1cccc(c1)F)NC2C=CN=N2 2430a_100000210047_100134613517 [0,1,0,0,0,1|0,0,2]=4 1354 B17R2.3372 O=C(Nc1cccc(c1)F)NC2C=CN=N2 512a_100000210047_100134613517 [0,1,0,0,0,1|0,0,2]=4 1355 B17R2.3372 O=C(Nc1cccc(c1)I)NC2C=CN=N2 2430a_100000211102_100134613517 [0,1,0,0,0,1|0,0,2]=4 1356 B17R2.3372 O=C(Nc1cccc(c1)I)NC2C=CN=N2 512a_100000211102_100134613517 [0,1,0,0,0,1|0,0,2]=4 1357 B17R2.3372 O=C(Nc1cccc(c1)O)NC2C=CN=N2 2430a_100000210217_100134613517 [0,1,0,0,0,1|0,0,2]=4 1358 B17R2.3372 O=C(Nc1cccc(c1)O)NC2C=CN=N2 512a_100000210217_100134613517 [0,1,0,0,0,1|0,0,2]=4 1359 B17R2.3431 Cc1ccccc1CC(=O)Cc2ccon2 1458a_100000212180_100000234950 [0,1,0,0,0,1|2,0,0]=4 1360 B17R2.3431 Cc1ccccc1NC(=O)Cc2c[nH]cn2 22a_100015192222_100015291406 [0,1,0,0,0,1|2,0,0]=4 1361 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccc[nH]2 11a_100015192222_100000238377 [0,1,0,0,0,1|1,0,1]=4 1362 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccc[nH]2 22a_100015192222_100000238377 [0,1,0,0,0,1|1,0,1]=4 1363 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccc[nH]2 527a_100015192222_100000238377 [0,1,0,0,0,1|1,0,1]=4 1364 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccco2 11a_100015192222_100011217309 [0,1,0,0,0,1|2,0,0]=4 1365 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccco2 22a_100015192222_100011217309 [0,1,0,0,0,1|2,0,0]=4 1366 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccco2 527a_100015192222_100011217309 [0,1,0,0,0,1|2,0,0]=4 1367 B17R2.3431 Cc1ccccc1NC(=O)Cc2cccs2 11a_100015192222_100000210189 [0,1,0,0,0,1|2,0,0]=4 1368 B17R2.3431 Cc1ccccc1NC(=O)Cc2cccs2 1626a_100015192222_100000210189 [0,1,0,0,0,1|2,0,0]=4 1369 B17R2.3431 Cc1ccccc1NC(=O)Cc2cccs2 22a_100015192222_100000210189 [0,1,0,0,0,1|2,0,0]=4 1370 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccn[nH]2 11a_100015192222_100000752941 [0,1,0,0,0,1|0,0,2]=4 1371 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccn[nH]2 1626a_100015192222_100000752941 [0,1,0,0,0,1|0,0,2]=4 1372 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccn[nH]2 22a_100015192222_100000752941 [0,1,0,0,0,1|0,0,2]=4 1373 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccn[nH]2 527a_100015192222_100000752941 [0,1,0,0,0,1|0,0,2]=4 1374 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccoc2 11a_100015192222_100000684892 [0,1,0,0,0,1|2,0,0]=4 1375 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccoc2 1626a_100015192222_100000684892 [0,1,0,0,0,1|2,0,0]=4 1376 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccoc2 22a_100015192222_100000684892 [0,1,0,0,0,1|2,0,0]=4 1377 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccoc2 527a_100015192222_100000684892 [0,1,0,0,0,1|2,0,0]=4 1378 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccsc2 11a_100015192222_100000184062 [0,1,0,0,0,1|2,0,0]=4 1379 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccsc2 1626a_100015192222_100000184062 [0,1,0,0,0,1|2,0,0]=4 1380 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccsc2 22a_100015192222_100000184062 [0,1,0,0,0,1|2,0,0]=4 1381 B17R2.3431 Cc1ccccc1NC(=O)Cc2ccsc2 527a_100015192222_100000184062 [0,1,0,0,0,1|2,0,0]=4 1382 B17R2.3431 Cc1ccccc1NC(=O)Cc2cscn2 11a_100015192222_100011438297 [0,1,0,0,0,1|2,0,0]=4 1383 B17R2.3431 Cc1ccccc1NC(=O)Cc2cscn2 1626a_100015192222_100011438297 [0,1,0,0,0,1|2,0,0]=4 1384 B17R2.3431 Cc1ccccc1NC(=O)Cc2cscn2 22a_100015192222_100011438297 [0,1,0,0,0,1|2,0,0]=4 1385 B17R2.3431 Cc1ccccc1NC(=O)Cc2cscn2 527a_100015192222_100011438297 [0,1,0,0,0,1|2,0,0]=4 1386 B17R2.3431 Cc1ccccc1NC(=O)Cn2cccn2 11a_100015192222_100000233772 [0,1,0,0,0,1|2,0,0]=4 1387 B17R2.3431 Cc1ccccc1NC(=O)Cn2cccn2 1626a_100015192222_100000233772 [0,1,0,0,0,1|2,0,0]=4 1388 B17R2.3431 Cc1ccccc1NC(=O)Cn2cccn2 22a_100015192222_100000233772 [0,1,0,0,0,1|2,0,0]=4 1389 B17R2.3431 Cc1ccccc1NC(=O)Cn2cccn2 527a_100015192222_100000233772 [0,1,0,0,0,1|2,0,0]=4 1390 B17R2.3431 Cc1ccccc1NC(=O)Cn2ccnn2 11a_100015192222_100000080816 [0,1,0,0,0,1|1,0,1]=4 1391 B17R2.3431 Cc1ccccc1NC(=O)Cn2ccnn2 1626a_100015192222_100000080816 [0,1,0,0,0,1|1,0,1]=4 1392 B17R2.3431 Cc1ccccc1NC(=O)Cn2ccnn2 22a_100015192222_100000080816 [0,1,0,0,0,1|1,0,1]=4 1393 B17R2.3431 Cc1ccccc1NC(=O)NC2C=CN=N2 2430a_100015192222_100134613517 [0,1,0,0,0,1|0,0,2]=4 1394 B17R2.3431 O=C(Cc1c[nH]cn1)Nc2ccccc2Cl 22a_100000185783_100015291406 [0,1,0,0,0,1|2,0,0]=4 1395 B17R2.3431 O=C(Cc1c[nH]cn1)Nc2ccccc2F 22a_100000210422_100015291406 [0,1,0,0,0,1|2,0,0]=4 1396 B17R2.3431 O=C(Cc1c[nH]cn1)Nc2ccccc2O 22a_100000185747_100015291406 [0,1,0,0,0,1|2,0,0]=4 1397 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2Br 11a_100000210017_100000238377 [0,1,0,0,0,1|1,0,1]=4 1398 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2Cl 11a_100000185783_100000238377 [0,1,0,0,0,1|1,0,1]=4 1399 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2Cl 22a_100000185783_100000238377 [0,1,0,0,0,1|1,0,1]=4 1400 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2Cl 527a_100000185783_100000238377 [0,1,0,0,0,1|1,0,1]=4 1401 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2F 11a_100000210422_100000238377 [0,1,0,0,0,1|1,0,1]=4 1402 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2F 22a_100000210422_100000238377 [0,1,0,0,0,1|1,0,1]=4 1403 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2F 527a_100000210422_100000238377 [0,1,0,0,0,1|1,0,1]=4 1404 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2I 11a_100000210053_100000238377 [0,1,0,0,0,1|1,0,1]=4 1405 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2O 22a_100000185747_100000238377 [0,1,0,0,0,1|1,0,1]=4 1406 B17R2.3431 O=C(Cc1ccc[nH]1)Nc2ccccc2O 527a_100000185747_100000238377 [0,1,0,0,0,1|1,0,1]=4 1407 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2Br 11a_100000210017_100011217309 [0,1,0,0,0,1|2,0,0]=4 1408 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2Cl 11a_100000185783_100011217309 [0,1,0,0,0,1|2,0,0]=4 1409 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2Cl 22a_100000185783_100011217309 [0,1,0,0,0,1|2,0,0]=4 1410 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2Cl 527a_100000185783_100011217309 [0,1,0,0,0,1|2,0,0]=4 1411 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2F 11a_100000210422_100011217309 [0,1,0,0,0,1|2,0,0]=4 1412 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2F 22a_100000210422_100011217309 [0,1,0,0,0,1|2,0,0]=4 1413 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2F 527a_100000210422_100011217309 [0,1,0,0,0,1|2,0,0]=4 1414 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2I 11a_100000210053_100011217309 [0,1,0,0,0,1|2,0,0]=4 1415 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2O 22a_100000185747_100011217309 [0,1,0,0,0,1|2,0,0]=4 1416 B17R2.3431 O=C(Cc1ccco1)Nc2ccccc2O 527a_100000185747_100011217309 [0,1,0,0,0,1|2,0,0]=4 1417 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2Br 11a_100000210017_100000210189 [0,1,0,0,0,1|2,0,0]=4 1418 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2Br 1626a_100000210017_100000210189 [0,1,0,0,0,1|2,0,0]=4 1419 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2Cl 11a_100000185783_100000210189 [0,1,0,0,0,1|2,0,0]=4 1420 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2Cl 1626a_100000185783_100000210189 [0,1,0,0,0,1|2,0,0]=4 1421 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2Cl 22a_100000185783_100000210189 [0,1,0,0,0,1|2,0,0]=4 1422 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2F 11a_100000210422_100000210189 [0,1,0,0,0,1|2,0,0]=4 1423 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2F 1626a_100000210422_100000210189 [0,1,0,0,0,1|2,0,0]=4 1424 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2F 22a_100000210422_100000210189 [0,1,0,0,0,1|2,0,0]=4 1425 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2I 11a_100000210053_100000210189 [0,1,0,0,0,1|2,0,0]=4 1426 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2I 1626a_100000210053_100000210189 [0,1,0,0,0,1|2,0,0]=4 1427 B17R2.3431 O=C(Cc1cccs1)Nc2ccccc2O 22a_100000185747_100000210189 [0,1,0,0,0,1|2,0,0]=4 1428 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2Br 11a_100000210017_100000752941 [0,1,0,0,0,1|0,0,2]=4 1429 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2Br 1626a_100000210017_100000752941 [0,1,0,0,0,1|0,0,2]=4 1430 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2Cl 11a_100000185783_100000752941 [0,1,0,0,0,1|0,0,2]=4 1431 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2Cl 1626a_100000185783_100000752941 [0,1,0,0,0,1|0,0,2]=4 1432 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2Cl 22a_100000185783_100000752941 [0,1,0,0,0,1|0,0,2]=4 1433 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2Cl 527a_100000185783_100000752941 [0,1,0,0,0,1|0,0,2]=4 1434 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2F 11a_100000210422_100000752941 [0,1,0,0,0,1|0,0,2]=4 1435 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2F 1626a_100000210422_100000752941 [0,1,0,0,0,1|0,0,2]=4 1436 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2F 22a_100000210422_100000752941 [0,1,0,0,0,1|0,0,2]=4 1437 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2F 527a_100000210422_100000752941 [0,1,0,0,0,1|0,0,2]=4 1438 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2I 11a_100000210053_100000752941 [0,1,0,0,0,1|0,0,2]=4 1439 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2I 1626a_100000210053_100000752941 [0,1,0,0,0,1|0,0,2]=4 1440 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2O 22a_100000185747_100000752941 [0,1,0,0,0,1|0,0,2]=4 1441 B17R2.3431 O=C(Cc1ccn[nH]1)Nc2ccccc2O 527a_100000185747_100000752941 [0,1,0,0,0,1|0,0,2]=4 1442 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2Br 11a_100000210017_100000684892 [0,1,0,0,0,1|2,0,0]=4 1443 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2Br 1626a_100000210017_100000684892 [0,1,0,0,0,1|2,0,0]=4 1444 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2Cl 11a_100000185783_100000684892 [0,1,0,0,0,1|2,0,0]=4 1445 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2Cl 1626a_100000185783_100000684892 [0,1,0,0,0,1|2,0,0]=4 1446 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2Cl 22a_100000185783_100000684892 [0,1,0,0,0,1|2,0,0]=4 1447 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2Cl 527a_100000185783_100000684892 [0,1,0,0,0,1|2,0,0]=4 1448 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2F 11a_100000210422_100000684892 [0,1,0,0,0,1|2,0,0]=4 1449 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2F 1626a_100000210422_100000684892 [0,1,0,0,0,1|2,0,0]=4 1450 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2F 22a_100000210422_100000684892 [0,1,0,0,0,1|2,0,0]=4 1451 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2F 527a_100000210422_100000684892 [0,1,0,0,0,1|2,0,0]=4 1452 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2I 11a_100000210053_100000684892 [0,1,0,0,0,1|2,0,0]=4 1453 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2I 1626a_100000210053_100000684892 [0,1,0,0,0,1|2,0,0]=4 1454 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2O 22a_100000185747_100000684892 [0,1,0,0,0,1|2,0,0]=4 1455 B17R2.3431 O=C(Cc1ccoc1)Nc2ccccc2O 527a_100000185747_100000684892 [0,1,0,0,0,1|2,0,0]=4 1456 B17R2.3431 O=C(Cc1ccon1)Cc2ccccc2Br 1458a_100000751119_100000234950 [0,1,0,0,0,1|2,0,0]=4 1457 B17R2.3431 O=C(Cc1ccon1)Cc2ccccc2Cl 1458a_100000183793_100000234950 [0,1,0,0,0,1|2,0,0]=4 1458 B17R2.3431 O=C(Cc1ccon1)Cc2ccccc2F 1458a_100000212012_100000234950 [0,1,0,0,0,1|2,0,0]=4 1459 B17R2.3431 O=C(Cc1ccon1)Cc2ccccc2I 1458a_100000036491_100000234950 [0,1,0,0,0,1|2,0,0]=4 1460 B17R2.3431 O=C(Cc1ccon1)Cc2ccccc2O 1458a_100000743006_100000234950 [0,1,0,0,0,1|2,0,0]=4 1461 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2Br 11a_100000210017_100000184062 [0,1,0,0,0,1|2,0,0]=4 1462 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2Br 1626a_100000210017_100000184062 [0,1,0,0,0,1|2,0,0]=4 1463 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2Cl 11a_100000185783_100000184062 [0,1,0,0,0,1|2,0,0]=4 1464 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2Cl 1626a_100000185783_100000184062 [0,1,0,0,0,1|2,0,0]=4 1465 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2Cl 22a_100000185783_100000184062 [0,1,0,0,0,1|2,0,0]=4 1466 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2Cl 527a_100000185783_100000184062 [0,1,0,0,0,1|2,0,0]=4 1467 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2F 11a_100000210422_100000184062 [0,1,0,0,0,1|2,0,0]=4 1468 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2F 1626a_100000210422_100000184062 [0,1,0,0,0,1|2,0,0]=4 1469 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2F 22a_100000210422_100000184062 [0,1,0,0,0,1|2,0,0]=4 1470 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2F 527a_100000210422_100000184062 [0,1,0,0,0,1|2,0,0]=4 1471 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2I 11a_100000210053_100000184062 [0,1,0,0,0,1|2,0,0]=4 1472 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2I 1626a_100000210053_100000184062 [0,1,0,0,0,1|2,0,0]=4 1473 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2O 22a_100000185747_100000184062 [0,1,0,0,0,1|2,0,0]=4 1474 B17R2.3431 O=C(Cc1ccsc1)Nc2ccccc2O 527a_100000185747_100000184062 [0,1,0,0,0,1|2,0,0]=4 1475 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2Br 11a_100000210017_100011438297 [0,1,0,0,0,1|2,0,0]=4 1476 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2Br 1626a_100000210017_100011438297 [0,1,0,0,0,1|2,0,0]=4 1477 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2Cl 11a_100000185783_100011438297 [0,1,0,0,0,1|2,0,0]=4 1478 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2Cl 1626a_100000185783_100011438297 [0,1,0,0,0,1|2,0,0]=4 1479 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2Cl 22a_100000185783_100011438297 [0,1,0,0,0,1|2,0,0]=4 1480 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2Cl 527a_100000185783_100011438297 [0,1,0,0,0,1|2,0,0]=4 1481 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2F 11a_100000210422_100011438297 [0,1,0,0,0,1|2,0,0]=4 1482 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2F 1626a_100000210422_100011438297 [0,1,0,0,0,1|2,0,0]=4 1483 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2F 22a_100000210422_100011438297 [0,1,0,0,0,1|2,0,0]=4 1484 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2F 527a_100000210422_100011438297 [0,1,0,0,0,1|2,0,0]=4 1485 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2I 11a_100000210053_100011438297 [0,1,0,0,0,1|2,0,0]=4 1486 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2I 1626a_100000210053_100011438297 [0,1,0,0,0,1|2,0,0]=4 1487 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2O 22a_100000185747_100011438297 [0,1,0,0,0,1|2,0,0]=4 1488 B17R2.3431 O=C(Cc1cscn1)Nc2ccccc2O 527a_100000185747_100011438297 [0,1,0,0,0,1|2,0,0]=4 1489 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2Br 11a_100000210017_100000233772 [0,1,0,0,0,1|2,0,0]=4 1490 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2Br 1626a_100000210017_100000233772 [0,1,0,0,0,1|2,0,0]=4 1491 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2Cl 11a_100000185783_100000233772 [0,1,0,0,0,1|2,0,0]=4 1492 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2Cl 1626a_100000185783_100000233772 [0,1,0,0,0,1|2,0,0]=4 1493 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2Cl 22a_100000185783_100000233772 [0,1,0,0,0,1|2,0,0]=4 1494 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2Cl 527a_100000185783_100000233772 [0,1,0,0,0,1|2,0,0]=4 1495 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2F 11a_100000210422_100000233772 [0,1,0,0,0,1|2,0,0]=4 1496 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2F 1626a_100000210422_100000233772 [0,1,0,0,0,1|2,0,0]=4 1497 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2F 22a_100000210422_100000233772 [0,1,0,0,0,1|2,0,0]=4 1498 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2F 527a_100000210422_100000233772 [0,1,0,0,0,1|2,0,0]=4 1499 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2I 11a_100000210053_100000233772 [0,1,0,0,0,1|2,0,0]=4 1500 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2I 1626a_100000210053_100000233772 [0,1,0,0,0,1|2,0,0]=4 1501 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2O 22a_100000185747_100000233772 [0,1,0,0,0,1|2,0,0]=4 1502 B17R2.3431 O=C(Cn1cccn1)Nc2ccccc2O 527a_100000185747_100000233772 [0,1,0,0,0,1|2,0,0]=4 1503 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2Br 11a_100000210017_100000080816 [0,1,0,0,0,1|1,0,1]=4 1504 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2Br 1626a_100000210017_100000080816 [0,1,0,0,0,1|1,0,1]=4 1505 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2Cl 11a_100000185783_100000080816 [0,1,0,0,0,1|1,0,1]=4 1506 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2Cl 1626a_100000185783_100000080816 [0,1,0,0,0,1|1,0,1]=4 1507 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2Cl 22a_100000185783_100000080816 [0,1,0,0,0,1|1,0,1]=4 1508 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2F 11a_100000210422_100000080816 [0,1,0,0,0,1|1,0,1]=4 1509 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2F 1626a_100000210422_100000080816 [0,1,0,0,0,1|1,0,1]=4 1510 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2F 22a_100000210422_100000080816 [0,1,0,0,0,1|1,0,1]=4 1511 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2I 11a_100000210053_100000080816 [0,1,0,0,0,1|1,0,1]=4 1512 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2I 1626a_100000210053_100000080816 [0,1,0,0,0,1|1,0,1]=4 1513 B17R2.3431 O=C(Cn1ccnn1)Nc2ccccc2O 22a_100000185747_100000080816 [0,1,0,0,0,1|1,0,1]=4 1514 B17R2.3431 O=C(Nc1ccccc1Br)NC2C=CN=N2 2430a_100000210017_100134613517 [0,1,0,0,0,1|0,0,2]=4 1515 B17R2.3431 O=C(Nc1ccccc1Cl)NC2C=CN=N2 2430a_100000185783_100134613517 [0,1,0,0,0,1|0,0,2]=4 1516 B17R2.3431 O=C(Nc1ccccc1F)NC2C=CN=N2 2430a_100000210422_100134613517 [0,1,0,0,0,1|0,0,2]=4 1517 B17R2.3431 O=C(Nc1ccccc1I)NC2C=CN=N2 2430a_100000210053_100134613517 [0,1,0,0,0,1|0,0,2]=4 1518 B17R2.3431 O=C(Nc1ccccc1O)NC2C=CN=N2 2430a_100000185747_100134613517 [0,1,0,0,0,1|0,0,2]=4 1519 B17R2.3512 Cc1ccnn1CC(=O)Nc2ccccc2 11a_100000106764_100000759144 [0,1,0,0,0,1|2,0,0]=4 1520 B17R2.3512 Cc1ccnn1CC(=O)Nc2ccccc2 1626a_100000106764_100000759144 [0,1,0,0,0,1|2,0,0]=4 1521 B17R2.3512 Cc1ccnn1CC(=O)Nc2ccccc2 22a_100000106764_100000759144 [0,1,0,0,0,1|2,0,0]=4 1522 B17R2.3512 Cc1ccnn1CC(=O)Nc2ccccc2 527a_100000106764_100000759144 [0,1,0,0,0,1|2,0,0]=4 1523 B17R2.3512 Cc1nonc1CC(=O)Nc2ccccc2 11a_100000106764_100000238572 [0,1,0,0,0,1|2,0,0]=4 1524 B17R2.3512 Cc1nonc1CC(=O)Nc2ccccc2 1626a_100000106764_100000238572 [0,1,0,0,0,1|2,0,0]=4 1525 B17R2.3512 Cc1nonc1CC(=O)Nc2ccccc2 22a_100000106764_100000238572 [0,1,0,0,0,1|2,0,0]=4 1526 B17R2.3512 Cn1ccnc1CC(=O)Nc2ccccc2 11a_100000106764_200015194843 [0,1,0,0,0,1|2,0,0]=4 1527 B17R2.3512 Cn1ccnc1CC(=O)Nc2ccccc2 22a_100000106764_200015194843 [0,1,0,0,0,1|2,0,0]=4 1528 B17R2.5724 C=C(C(=O)Cc1ccon1)c2ccccc2 1458a_100000065200_100000234950 [0,1,0,0,0,1|2,0,0]=4 1529 B17R2.5724 CN(C(=O)Cc1c[nH]cn1)c2ccccc2 22a_100000210012_100015291406 [0,1,0,0,0,1|2,0,0]=4 1530 B17R2.5724 CN(C(=O)Cc1ccc[nH]1)c2ccccc2 11a_100000210012_100000238377 [0,1,0,0,0,1|1,0,1]=4 1531 B17R2.5724 CN(C(=O)Cc1ccc[nH]1)c2ccccc2 22a_100000210012_100000238377 [0,1,0,0,0,1|1,0,1]=4 1532 B17R2.5724 CN(C(=O)Cc1ccco1)c2ccccc2 11a_100000210012_100011217309 [0,1,0,0,0,1|2,0,0]=4 1533 B17R2.5724 CN(C(=O)Cc1ccco1)c2ccccc2 22a_100000210012_100011217309 [0,1,0,0,0,1|2,0,0]=4 1534 B17R2.5724 CN(C(=O)Cc1cccs1)c2ccccc2 11a_100000210012_100000210189 [0,1,0,0,0,1|2,0,0]=4 1535 B17R2.5724 CN(C(=O)Cc1cccs1)c2ccccc2 1626a_100000210012_100000210189 [0,1,0,0,0,1|2,0,0]=4 1536 B17R2.5724 CN(C(=O)Cc1cccs1)c2ccccc2 22a_100000210012_100000210189 [0,1,0,0,0,1|2,0,0]=4 1537 B17R2.5724 CN(C(=O)Cc1ccn[nH]1)c2ccccc2 11a_100000210012_100000752941 [0,1,0,0,0,1|0,0,2]=4 1538 B17R2.5724 CN(C(=O)Cc1ccn[nH]1)c2ccccc2 1626a_100000210012_100000752941 [0,1,0,0,0,1|0,0,2]=4 1539 B17R2.5724 CN(C(=O)Cc1ccn[nH]1)c2ccccc2 22a_100000210012_100000752941 [0,1,0,0,0,1|0,0,2]=4 1540 B17R2.5724 CN(C(=O)Cc1ccoc1)c2ccccc2 11a_100000210012_100000684892 [0,1,0,0,0,1|2,0,0]=4 1541 B17R2.5724 CN(C(=O)Cc1ccoc1)c2ccccc2 1626a_100000210012_100000684892 [0,1,0,0,0,1|2,0,0]=4 1542 B17R2.5724 CN(C(=O)Cc1ccoc1)c2ccccc2 22a_100000210012_100000684892 [0,1,0,0,0,1|2,0,0]=4 1543 B17R2.5724 CN(C(=O)Cc1ccsc1)c2ccccc2 11a_100000210012_100000184062 [0,1,0,0,0,1|2,0,0]=4 1544 B17R2.5724 CN(C(=O)Cc1ccsc1)c2ccccc2 1626a_100000210012_100000184062 [0,1,0,0,0,1|2,0,0]=4 1545 B17R2.5724 CN(C(=O)Cc1ccsc1)c2ccccc2 22a_100000210012_100000184062 [0,1,0,0,0,1|2,0,0]=4 1546 B17R2.5724 CN(C(=O)Cc1cscn1)c2ccccc2 11a_100000210012_100011438297 [0,1,0,0,0,1|2,0,0]=4 1547 B17R2.5724 CN(C(=O)Cc1cscn1)c2ccccc2 1626a_100000210012_100011438297 [0,1,0,0,0,1|2,0,0]=4 1548 B17R2.5724 CN(C(=O)Cc1cscn1)c2ccccc2 22a_100000210012_100011438297 [0,1,0,0,0,1|2,0,0]=4 1549 B17R2.5724 CN(C(=O)Cn1cccn1)c2ccccc2 11a_100000210012_100000233772 [0,1,0,0,0,1|2,0,0]=4 1550 B17R2.5724 CN(C(=O)Cn1cccn1)c2ccccc2 1626a_100000210012_100000233772 [0,1,0,0,0,1|2,0,0]=4 1551 B17R2.5724 CN(C(=O)Cn1cccn1)c2ccccc2 22a_100000210012_100000233772 [0,1,0,0,0,1|2,0,0]=4 1552 B17R2.5724 CN(C(=O)Cn1ccnn1)c2ccccc2 11a_100000210012_100000080816 [0,1,0,0,0,1|1,0,1]=4 1553 B17R2.5724 CN(C(=O)Cn1ccnn1)c2ccccc2 1626a_100000210012_100000080816 [0,1,0,0,0,1|1,0,1]=4 1554 B17R2.5724 CN(C(=O)Cn1ccnn1)c2ccccc2 22a_100000210012_100000080816 [0,1,0,0,0,1|1,0,1]=4 1555 B17R2.5724 C[C@H](C(=O)Cc1ccon1)c2ccccc2 1458a_100000751047_100000234950 [0,1,0,0,0,1|2,0,0]=4 1556 B17R2.5724 O=C(Cc1ccon1)C(F)c2ccccc2 1458a_100000698975_100000234950 [0,1,0,0,0,1|2,0,0]=4 1557 B17R2.5724 O=C(Cc1ccon1)[C@H](O)c2ccccc2 1458a_100000684486_100000234950 [0,1,0,0,0,1|2,0,0]=4 1558 B17R2.202 CC(=NNc1ccc(cc1)Br)c2cc[nH]c2 4a_100000735608_100000753940 [0,1,0,0,0,1|2,0,0]=4 1559 B17R2.202 CC(=NNc1ccc(cc1)C)c2cc[nH]c2 4a_100000683527_100000753940 [0,1,0,0,0,1|2,0,0]=4 1560 B17R2.202 CC(=NNc1ccc(cc1)Cl)c2cc[nH]c2 4a_100000683521_100000753940 [0,1,0,0,0,1|2,0,0]=4 1561 B17R2.202 CC(=NNc1ccc(cc1)F)c2cc[nH]c2 4a_100000728448_100000753940 [0,1,0,0,0,1|2,0,0]=4 1562 B17R2.202 CC(=NNc1ccc(cc1)I)c2cc[nH]c2 4a_100016988836_100000753940 [0,1,0,0,0,1|2,0,0]=4 1563 B17R2.202 Cc1ccc(cc1)NCC(=O)c2ccsc2 34a_100000124888_100011219462 [0,1,0,0,0,1|2,0,0]=4 1564 B17R2.202 O=C(CNc1ccc(cc1)Br)c2cccs2 2230a_100000210018_100000211436 [0,1,0,0,0,1|2,0,0]=4 1565 B17R2.202 O=C(CNc1ccc(cc1)Br)c2ccsc2 2230a_100000210018_100011219462 [0,1,0,0,0,1|2,0,0]=4 1566 B17R2.202 O=C(CNc1ccc(cc1)Br)c2ccsc2 34a_100000210018_100011219462 [0,1,0,0,0,1|2,0,0]=4 1567 B17R2.202 O=C(CNc1ccc(cc1)Br)n2cccn2 2230a_100000210018_100000077511 [0,1,0,0,0,1|2,0,0]=4 1568 B17R2.202 O=C(CNc1ccc(cc1)Cl)c2cccs2 2230a_100000210052_100000211436 [0,1,0,0,0,1|2,0,0]=4 1569 B17R2.202 O=C(CNc1ccc(cc1)Cl)c2ccsc2 2230a_100000210052_100011219462 [0,1,0,0,0,1|2,0,0]=4 1570 B17R2.202 O=C(CNc1ccc(cc1)Cl)c2ccsc2 34a_100000210052_100011219462 [0,1,0,0,0,1|2,0,0]=4 1571 B17R2.202 O=C(CNc1ccc(cc1)Cl)n2cccn2 2230a_100000210052_100000077511 [0,1,0,0,0,1|2,0,0]=4 1572 B17R2.202 O=C(CNc1ccc(cc1)F)c2ccsc2 34a_100000185862_100011219462 [0,1,0,0,0,1|2,0,0]=4 1573 B17R2.202 O=C(CNc1ccc(cc1)I)c2ccsc2 34a_100000185761_100011219462 [0,1,0,0,0,1|2,0,0]=4 1574 B17R2.202 O=C(CNc1ccc(cc1)O)c2ccsc2 34a_100000185829_100011219462 [0,1,0,0,0,1|2,0,0]=4 1575 B17R2.3231 CC(=NNc1ccccc1)c2c[nH]c(c2)C 4a_100015195140_100000133040 [0,1,0,0,0,1|2,0,0]=4 1576 B17R2.3231 CC(=NNc1ccccc1)c2cc(on2)C 4a_100015195140_100000723125 [0,1,0,0,0,1|2,0,0]=4 1577 B17R2.3231 CC(=NNc1ccccc1)c2ccn(c2)C 4a_100015195140_100000732535 [0,1,0,0,0,1|2,0,0]=4 1578 B17R2.3231 Cc1ccc(s1)C(=O)CNc2ccccc2 34a_100000106764_100011262362 [0,1,0,0,0,1|2,0,0]=4 1579 B17R2.3231 O=C(NCc1ccccc1)c2ccc(o2)O 271570a_203496583355_100000153180 [0,1,0,0,0,1|2,0,0]=4 1580 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2ccccc2 240690a_100015324214_200000752725 [0,1,0,0,0,1|0,0,1]=3 1581 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2ccccc2 527a_100015324214_200000752725 [0,1,0,0,0,1|0,0,1]=3 1582 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2ccccn2 240690a_100000210449_200000752725 [0,1,0,0,0,1|1,0,1]=4 1583 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2ccccn2 527a_100000210449_200000752725 [0,1,0,0,0,1|1,0,1]=4 1584 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2cccnc2 240690a_100000210453_200000752725 [0,1,0,0,0,1|1,0,1]=4 1585 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2cccnc2 527a_100000210453_200000752725 [0,1,0,0,0,1|1,0,1]=4 1586 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2ccncc2 240690a_100000210450_200000752725 [0,1,0,0,0,1|1,0,1]=4 1587 B17R2.3231 O=C1CC(=NN1)C(=O)NCc2ccncc2 527a_100000210450_200000752725 [0,1,0,0,0,1|1,0,1]=4 1588 B17R2.3231 O=C1CC(=NN1)C(=O)NNc2ccccc2 22a_100015195140_200000752725 [0,1,0,0,0,1|0,0,1]=3 1589 B17R2.3231 O=C1CC(=NN1)C(=O)NNc2ccccn2 22a_100000183288_200000752725 [0,1,0,0,0,1|1,0,1]=4 1590 B17R2.3231 O=C1CC(=NN1)C(=O)NNc2cccnc2 22a_100000728903_200000752725 [0,1,0,0,0,1|1,0,1]=4 1591 B17R2.3231 O=C1CC(=NN1)C(=O)NNc2ccncc2 22a_100000698918_200000752725 [0,1,0,0,0,1|1,0,1]=4 1592 B17R2.3429 CC(=NNc1ccccc1Br)c2cc[nH]c2 4a_100000241748_100000753940 [0,1,0,0,0,1|2,0,0]=4 1593 B17R2.3429 CC(=NNc1ccccc1C)c2cc[nH]c2 4a_100000184220_100000753940 [0,1,0,0,0,1|2,0,0]=4 1594 B17R2.3429 CC(=NNc1ccccc1Cl)c2cc[nH]c2 4a_100000683529_100000753940 [0,1,0,0,0,1|2,0,0]=4 1595 B17R2.3429 CC(=NNc1ccccc1F)c2cc[nH]c2 4a_100000239246_100000753940 [0,1,0,0,0,1|2,0,0]=4 1596 B17R2.3429 CC(=NNc1ccccc1I)c2cc[nH]c2 4a_100011218156_100000753940 [0,1,0,0,0,1|2,0,0]=4 1597 B17R2.3429 Cc1ccccc1NCC(=O)c2ccsc2 34a_100015192222_100011219462 [0,1,0,0,0,1|2,0,0]=4 1598 B17R2.3429 O=C(CNc1ccccc1Br)c2ccsc2 34a_100000210017_100011219462 [0,1,0,0,0,1|2,0,0]=4 1599 B17R2.3429 O=C(CNc1ccccc1Cl)c2ccsc2 34a_100000185783_100011219462 [0,1,0,0,0,1|2,0,0]=4 1600 B17R2.3429 O=C(CNc1ccccc1F)c2ccsc2 34a_100000210422_100011219462 [0,1,0,0,0,1|2,0,0]=4 1601 B17R2.3429 O=C(CNc1ccccc1I)c2ccsc2 34a_100000210053_100011219462 [0,1,0,0,0,1|2,0,0]=4 1602 B17R2.3429 O=C(CNc1ccccc1O)c2ccsc2 34a_100000185747_100011219462 [0,1,0,0,0,1|2,0,0]=4 1603 B17R2.3530 CC(=NNc1ccccc1)c2c[nH]cc2C 4a_100015195140_100000074850 [0,1,0,0,0,1|2,0,0]=4 1604 B17R2.3530 Cn1cccc1C(=O)CNc2ccccc2 34a_100000106764_200011262399 [0,1,0,0,0,1|1,0,1]=4 1605 B17R2.3530 Cn1ccnc1C(=O)CNc2ccccc2 34a_100000106764_100010243886 [0,1,0,0,0,1|2,0,0]=4 1606 B17R2.3530 O=C(CNc1ccccc1)c2sccc2Br 34a_100000106764_100000740827 [0,1,0,0,0,1|2,0,0]=4 1607 B17R2.5287 CC(=NNc1cccc(c1)Br)c2cc[nH]c2 4a_100000217339_100000753940 [0,1,0,0,0,1|2,0,0]=4 1608 B17R2.5287 CC(=NNc1cccc(c1)C)c2cc[nH]c2 4a_100000681630_100000753940 [0,1,0,0,0,1|2,0,0]=4 1609 B17R2.5287 CC(=NNc1cccc(c1)Cl)c2cc[nH]c2 4a_100000184277_100000753940 [0,1,0,0,0,1|2,0,0]=4 1610 B17R2.5287 CC(=NNc1cccc(c1)F)c2cc[nH]c2 4a_100000745080_100000753940 [0,1,0,0,0,1|2,0,0]=4 1611 B17R2.5287 CC(=NNc1cccc(c1)I)c2cc[nH]c2 4a_100020605690_100000753940 [0,1,0,0,0,1|2,0,0]=4 1612 B17R2.5287 Cc1cccc(c1)NCC(=O)c2cccs2 2230a_100000188690_100000211436 [0,1,0,0,0,1|2,0,0]=4 1613 B17R2.5287 Cc1cccc(c1)NCC(=O)c2ccsc2 2230a_100000188690_100011219462 [0,1,0,0,0,1|2,0,0]=4 1614 B17R2.5287 Cc1cccc(c1)NCC(=O)c2ccsc2 34a_100000188690_100011219462 [0,1,0,0,0,1|2,0,0]=4 1615 B17R2.5287 Cc1cccc(c1)NCC(=O)n2cccn2 2230a_100000188690_100000077511 [0,1,0,0,0,1|2,0,0]=4 1616 B17R2.5287 O=C(CNc1cccc(c1)Br)c2ccsc2 34a_100000210019_100011219462 [0,1,0,0,0,1|2,0,0]=4 1617 B17R2.5287 O=C(CNc1cccc(c1)Cl)c2ccsc2 34a_100000185859_100011219462 [0,1,0,0,0,1|2,0,0]=4 1618 B17R2.5287 O=C(CNc1cccc(c1)F)c2ccsc2 34a_100000210047_100011219462 [0,1,0,0,0,1|2,0,0]=4 1619 B17R2.5287 O=C(CNc1cccc(c1)I)c2ccsc2 34a_100000211102_100011219462 [0,1,0,0,0,1|2,0,0]=4 1620 B17R2.5287 O=C(CNc1cccc(c1)O)c2ccsc2 34a_100000210217_100011219462 [0,1,0,0,0,1|2,0,0]=4 1621 B17R2.5287 O=C1CC(=NNC(=O)c2cc[nH]n2)C=CN1 4a_100011273208_100000133659 [0,1,0,0,0,1|1,0,1]=4 1622 B17R2.18474 CN(CC(=O)c1ccc[nH]1)c2ccccc2 269982a_100000210012_200011262396 [0,1,0,0,0,1|1,0,1]=4 1623 B17R2.18474 CN(CC(=O)c1ccco1)c2ccccc2 269982a_100000210012_100000211439 [0,1,0,0,0,1|2,0,0]=4 1624 B17R2.18474 CN(CC(=O)c1cccs1)c2ccccc2 2230a_100000210012_100000211436 [0,1,0,0,0,1|2,0,0]=4 1625 B17R2.18474 CN(CC(=O)c1cccs1)c2ccccc2 269982a_100000210012_100000211436 [0,1,0,0,0,1|2,0,0]=4 1626 B17R2.18474 CN(CC(=O)c1ccsc1)c2ccccc2 2230a_100000210012_100011219462 [0,1,0,0,0,1|2,0,0]=4 1627 B17R2.18474 CN(CC(=O)c1ccsc1)c2ccccc2 269982a_100000210012_100011219462 [0,1,0,0,0,1|2,0,0]=4 1628 B17R2.18474 CN(CC(=O)c1ccsc1)c2ccccc2 34a_100000210012_100011219462 [0,1,0,0,0,1|2,0,0]=4 1629 B17R2.18474 CN(CC(=O)c1nccs1)c2ccccc2 269982a_100000210012_100000718653 [0,1,0,0,0,1|2,0,0]=4 1630 B17R2.18474 CN(CC(=O)n1cccn1)c2ccccc2 2230a_100000210012_100000077511 [0,1,0,0,0,1|2,0,0]=4 1631 B17R2.18474 CN(CC(=O)n1cccn1)c2ccccc2 269982a_100000210012_100000077511 [0,1,0,0,0,1|2,0,0]=4 1632 B17R2.52 CNc1ccc(cc1)NC(=O)c2ccco2 34a_100000189023_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B17R2.52 CNc1ccc(cc1)NC(=O)c2cccs2 34a_100000186507_200000210301 [0,2,0,0,0,0|2,0,0]=4 1634 B17R2.52 COc1ccc(cc1)NC(=O)c2ccco2 34a_100000184334_200000210301 [0,2,0,0,0,0|2,0,0]=4 1635 B17R2.52 COc1ccc(cc1)NC(=O)c2cccs2 34a_100000193058_200000210301 [0,2,0,0,0,0|2,0,0]=4 1636 B17R2.52 [13CH3]Nc1ccc(cc1)NC(=O)c2ccco2 34a_100000189023_200025704644 [0,2,0,0,0,0|2,0,0]=4 1637 B17R2.52 [13CH3]Nc1ccc(cc1)NC(=O)c2cccs2 34a_100000186507_200025704644 [0,2,0,0,0,0|2,0,0]=4 1638 B17R2.52 [13CH3]Oc1ccc(cc1)NC(=O)c2ccco2 34a_100000184334_200025704644 [0,2,0,0,0,0|2,0,0]=4 1639 B17R2.52 [13CH3]Oc1ccc(cc1)NC(=O)c2cccs2 34a_100000193058_200025704644 [0,2,0,0,0,0|2,0,0]=4 1640 B17R2.210 Cc1ccc(cc1)NC(=O)C2=NNC(=O)C2 22a_100000124888_200000752725 [0,2,0,0,0,0|0,0,1]=3 1641 B17R2.210 Cc1ccc(cc1)NC(=O)C2=NNC(=O)C2 527a_100000124888_200000752725 [0,2,0,0,0,0|0,0,1]=3 1642 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)Br 22a_100000210018_200000752725 [0,2,0,0,0,0|0,0,1]=3 1643 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)Br 527a_100000210018_200000752725 [0,2,0,0,0,0|0,0,1]=3 1644 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)Cl 22a_100000210052_200000752725 [0,2,0,0,0,0|0,0,1]=3 1645 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)Cl 527a_100000210052_200000752725 [0,2,0,0,0,0|0,0,1]=3 1646 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)F 22a_100000185862_200000752725 [0,2,0,0,0,0|0,0,1]=3 1647 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)F 527a_100000185862_200000752725 [0,2,0,0,0,0|0,0,1]=3 1648 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)I 22a_100000185761_200000752725 [0,2,0,0,0,0|0,0,1]=3 1649 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)I 527a_100000185761_200000752725 [0,2,0,0,0,0|0,0,1]=3 1650 B17R2.210 O=C1CC(=NN1)C(=O)Nc2ccc(cc2)O 22a_100000185829_200000752725 [0,2,0,0,0,0|0,0,1]=3 1651 B17R2.1821 CNc1cccc(c1)NC(=O)c2ccco2 34a_100000186508_200000210301 [0,2,0,0,0,0|2,0,0]=4 1652 B17R2.1821 CNc1cccc(c1)NC(=O)c2cccs2 34a_100000188680_200000210301 [0,2,0,0,0,0|2,0,0]=4 1653 B17R2.1821 COc1cccc(c1)NC(=O)c2ccco2 34a_100000158606_200000210301 [0,2,0,0,0,0|2,0,0]=4 1654 B17R2.1821 COc1cccc(c1)NC(=O)c2ccco2 7a_100000158606_200000210301 [0,2,0,0,0,0|2,0,0]=4 1655 B17R2.1821 COc1cccc(c1)NC(=O)c2cccs2 34a_100000158617_200000210301 [0,2,0,0,0,0|2,0,0]=4 1656 B17R2.1821 COc1cccc(c1)NC(=O)c2cccs2 7a_100000158617_200000210301 [0,2,0,0,0,0|2,0,0]=4 1657 B17R2.1821 [13CH3]Nc1cccc(c1)NC(=O)c2ccco2 34a_100000186508_200025704644 [0,2,0,0,0,0|2,0,0]=4 1658 B17R2.1821 [13CH3]Nc1cccc(c1)NC(=O)c2cccs2 34a_100000188680_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B17R2.1821 [13CH3]Oc1cccc(c1)NC(=O)c2ccco2 34a_100000158606_200025704644 [0,2,0,0,0,0|2,0,0]=4 1660 B17R2.1821 [13CH3]Oc1cccc(c1)NC(=O)c2ccco2 7a_100000158606_200025704644 [0,2,0,0,0,0|2,0,0]=4 1661 B17R2.1821 [13CH3]Oc1cccc(c1)NC(=O)c2cccs2 34a_100000158617_200025704644 [0,2,0,0,0,0|2,0,0]=4 1662 B17R2.1821 [13CH3]Oc1cccc(c1)NC(=O)c2cccs2 7a_100000158617_200025704644 [0,2,0,0,0,0|2,0,0]=4 1663 B17R2.5294 Cc1cccc(c1)NC(=O)C2=NNC(=O)C2 22a_100000188690_200000752725 [0,2,0,0,0,0|0,0,1]=3 1664 B17R2.5294 Cc1cccc(c1)NC(=O)C2=NNC(=O)C2 527a_100000188690_200000752725 [0,2,0,0,0,0|0,0,1]=3 1665 B17R2.5294 Cc1cccc(c1)NC(=O)c2ccc(o2)O 271570a_203496583355_100000153658 [0,2,0,0,0,0|2,0,0]=4 1666 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)Br 22a_100000210019_200000752725 [0,2,0,0,0,0|0,0,1]=3 1667 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)Br 527a_100000210019_200000752725 [0,2,0,0,0,0|0,0,1]=3 1668 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)Cl 22a_100000185859_200000752725 [0,2,0,0,0,0|0,0,1]=3 1669 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)F 22a_100000210047_200000752725 [0,2,0,0,0,0|0,0,1]=3 1670 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)F 527a_100000210047_200000752725 [0,2,0,0,0,0|0,0,1]=3 1671 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)I 22a_100000211102_200000752725 [0,2,0,0,0,0|0,0,1]=3 1672 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)I 527a_100000211102_200000752725 [0,2,0,0,0,0|0,0,1]=3 1673 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)O 22a_100000210217_200000752725 [0,2,0,0,0,0|0,0,1]=3 1674 B17R2.5294 O=C1CC(=NN1)C(=O)Nc2cccc(c2)O 527a_100000210217_200000752725 [0,2,0,0,0,0|0,0,1]=3 1675 B17R2.2542 C=Cc1ccc(o1)C(=O)Nc2ccccc2 271570a_100011290941_100000153498 [0,2,0,0,0,0|2,0,0]=4 1676 B17R2.2542 CSc1ccc(o1)C(=O)Nc2ccccc2 62a_200000210301_100000153498 [0,2,0,0,0,0|2,0,0]=4 1677 B17R2.2542 [13CH3]Sc1ccc(o1)C(=O)Nc2ccccc2 62a_200025704644_100000153498 [0,2,0,0,0,0|2,0,0]=4 1678 B17R2.3235 Cn1ccc(n1)S(=O)(=O)Nc2ccccc2 20a_100000106764_100011361809 [0,2,0,0,0,0|1,0,0]=3 1679 B17R2.3235 Cn1ccc(n1)S(=O)(=O)Nc2ccccc2 232682a_100000106764_100011361809 [0,2,0,0,0,0|1,0,0]=3 1680 B17R2.8654 CN(C(=O)C1=NNC(=O)C1)c2ccccc2 22a_100000210012_200000752725 [0,2,0,0,0,0|0,0,1]=3 1681 B17R2.18667 Cc1ccccc1NC(=O)C2=NNC(=O)C2 22a_100015192222_200000752725 [0,2,0,0,0,0|0,0,1]=3 1682 B17R2.18667 Cc1ccccc1NC(=O)C2=NNC(=O)C2 527a_100015192222_200000752725 [0,2,0,0,0,0|0,0,1]=3 1683 B17R2.18667 O=C(Nc1ccccc1F)c2ccc(o2)O 271570a_203496583355_200000154232 [0,2,0,0,0,0|2,0,0]=4 1684 B17R2.18667 O=C1CC(=NN1)C(=O)Nc2ccccc2Cl 22a_100000185783_200000752725 [0,2,0,0,0,0|0,0,1]=3 1685 B17R2.18667 O=C1CC(=NN1)C(=O)Nc2ccccc2Cl 527a_100000185783_200000752725 [0,2,0,0,0,0|0,0,1]=3 1686 B17R2.18667 O=C1CC(=NN1)C(=O)Nc2ccccc2F 22a_100000210422_200000752725 [0,2,0,0,0,0|0,0,1]=3 1687 B17R2.18667 O=C1CC(=NN1)C(=O)Nc2ccccc2F 527a_100000210422_200000752725 [0,2,0,0,0,0|0,0,1]=3 1688 B17R2.18667 O=C1CC(=NN1)C(=O)Nc2ccccc2O 22a_100000185747_200000752725 [0,2,0,0,0,0|0,0,1]=3 1689 B17R2.18667 O=C1CC(=NN1)C(=O)Nc2ccccc2O 527a_100000185747_200000752725 [0,2,0,0,0,0|0,0,1]=3 1690 B17R2.2737 CNc1ccccc1NC(=O)c2cccs2 2230a_100000749252_200000210301 [0,2,0,0,0,0|2,0,0]=4 1691 B17R2.2737 CNc1ccccc1NC(=O)c2cccs2 34a_100000749252_200000210301 [0,2,0,0,0,0|2,0,0]=4 1692 B17R2.2737 [13CH3]Nc1ccccc1NC(=O)c2cccs2 2230a_100000749252_200025704644 [0,2,0,0,0,0|2,0,0]=4 1693 B17R2.2737 [13CH3]Nc1ccccc1NC(=O)c2cccs2 34a_100000749252_200025704644 [0,2,0,0,0,0|2,0,0]=4 1694 B15R2.15 C=Cn1cc(cn1)Sc2ccccc2 62a_100000123030_100000041952 [0,0,1,1,0,0|2,0,0]=4 1695 B15R2.15 C=Cn1cc(cn1)Sc2ccccc2 62a_100000719477_100000123030 [0,0,1,1,0,0|2,0,0]=4 1696 B15R2.1435 CCNN=C1C(=O)Nc2c1cccc2 4a_100000756455_100000185742 [0,0,1,1,0,0|0,0,2]=4 1697 B15R2.4392 C=C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100015277604_100000075698 [0,0,1,1,0,0|2,0,0]=4 1698 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016259895_100000075698 [0,0,1,1,0,0|2,0,0]=4 1699 B17R3.8708 c1ccc(nc1)c2cc3ccccc3[nH]2 271570a_100010206980_100011216584 [0,0,0,1,0,1|2,0,0]=4 1700 B17R3.8708 c1ccc(nc1)c2cc3ccccc3[nH]2 271570a_100011264011_100010232065 [0,0,0,1,0,1|2,0,0]=4 1701 B17R3.8708 c1ccc(nc1)c2nc3ccccc3[nH]2 271570a_100011264011_100009814255 [0,0,0,1,0,1|2,0,0]=4 1702 B17R3.8708 c1ccc2[nH]c(cc2c1)c3ccncn3 271570a_100010206980_100000703185 [0,0,0,1,0,1|1,0,1]=4 1703 B17R3.8708 c1ccc2[nH]c(cc2c1)c3ccnnc3 271570a_100010206980_100000732662 [0,0,0,1,0,1|1,0,1]=4 1704 B17R3.8708 c1ccc2[nH]c(cc2c1)c3cnccn3 271570a_100010206980_100000758340 [0,0,0,1,0,1|2,0,0]=4 1705 B17R3.8708 c1ccc2[nH]c(cc2c1)c3cnccn3 271570a_100011962566_100010232065 [0,0,0,1,0,1|2,0,0]=4 1706 B17R3.8708 c1ccc2[nH]c(nc2c1)c3cnccn3 271570a_100011962566_100009814255 [0,0,0,1,0,1|2,0,0]=4 1707 B17R3.8708 c1cnc(nc1)c2cc3ccccc3[nH]2 271570a_100010206980_100000211032 [0,0,0,1,0,1|2,0,0]=4 1708 B17R3.8708 c1cncc(c1)c2cc3ccccc3[nH]2 271570a_100000757648_100010232065 [0,0,0,1,0,1|2,0,0]=4 1709 B17R3.8708 c1cncc(c1)c2cc3ccccc3[nH]2 271570a_100010206980_100000752921 [0,0,0,1,0,1|2,0,0]=4 1710 B17R3.8708 c1cncc(c1)c2nc3ccccc3[nH]2 271570a_100000757648_100009814255 [0,0,0,1,0,1|2,0,0]=4 1711 B17R3.8708 c1cnnc(c1)c2cc3ccccc3[nH]2 271570a_100010206980_100016991348 [0,0,0,1,0,1|1,0,1]=4 1712 B17R3.109 Cc1oc2ccccc2c1c3cc[nH]n3 271570a_100000062414_200010236113 [0,0,0,1,0,1|2,0,0]=4 1713 B17R3.109 Cc1sc2ccccc2c1c3cc[nH]n3 271570a_100000062414_100010002616 [0,0,0,1,0,1|2,0,0]=4 1714 B17R3.8685 c1ccc2[nH]c(cc2c1)Sc3cc[nH]n3 62a_100000062575_100010232065 [0,0,0,1,0,1|1,0,0]=3 1715 B17R3.8685 c1ccc2[nH]c(cc2c1)Sc3ccon3 62a_100009818083_100010232065 [0,0,0,1,0,1|2,0,0]=4 1716 B17R3.8685 c1ccc2[nH]c(cc2c1)Sc3ccsn3 62a_100009818082_100010232065 [0,0,0,1,0,1|2,0,0]=4 1717 B17R3.8685 c1ccc2[nH]c(cc2c1)Sc3nc[nH]n3 62a_100000761765_100010232065 [0,0,0,1,0,1|2,0,0]=4 1718 B17R3.8685 c1ccc2[nH]c(nc2c1)Sc3cc[nH]n3 62a_100000062575_100009814255 [0,0,0,1,0,1|1,0,0]=3 1719 B17R3.8685 c1ccc2[nH]c(nc2c1)Sc3ccon3 62a_100009818083_100009814255 [0,0,0,1,0,1|2,0,0]=4 1720 B17R3.8685 c1ccc2[nH]c(nc2c1)Sc3ccsn3 62a_100009818082_100009814255 [0,0,0,1,0,1|2,0,0]=4 1721 B17R3.8685 c1ccc2[nH]c(nc2c1)Sc3nc[nH]n3 62a_100000761765_100009814255 [0,0,0,1,0,1|2,0,0]=4 1722 B17R3.8685 c1ccc2oc(cc2c1)Sc3cc[nH]n3 62a_100000062575_100010159458 [0,0,0,1,0,1|1,0,1]=4 1723 B17R3.8685 c1ccc2sc(cc2c1)Sc3cc[nH]n3 62a_100000062575_100009816949 [0,0,0,1,0,1|1,1,0]=4 1724 B17R3.8685 c1ccc2sc(nc2c1)Sc3cc[nH]n3 62a_100000062575_100000751744 [0,0,0,1,0,1|0,1,1]=4 1725 B17R3.8685 c1cnc2[nH]c(cc2c1)Sc3cc[nH]n3 62a_100000062575_100010079843 [0,0,0,1,0,1|2,0,0]=4 1726 B17R3.1917 c1ccc2cc(ccc2c1)c3cc[nH]n3 271570a_100000062414_100000233703 [0,0,0,1,0,1|2,0,0]=4 1727 B17R3.1917 c1ccc2cc(ccc2c1)c3cc[nH]n3 271570a_100011218693_100000062575 [0,0,0,1,0,1|2,0,0]=4 1728 B17R3.1917 c1ccc2cc(ncc2c1)c3cc[nH]n3 271570a_100000062414_100000047361 [0,0,0,1,0,1|1,0,1]=4 1729 B17R3.1917 c1ccc2nc(ccc2c1)c3cc[nH]n3 271570a_100000062414_100011291633 [0,0,0,1,0,1|2,0,0]=4 1730 B17R3.1917 c1ccc2nc(cnc2c1)c3cc[nH]n3 271570a_100000062414_100000756483 [0,0,0,1,0,1|1,0,1]=4 1731 B17R3.1917 c1ccc2nc(ncc2c1)c3cc[nH]n3 271570a_100000062414_100000097389 [0,0,0,1,0,1|1,0,1]=4 1732 B17R3.1917 c1ccc2ncc(cc2c1)c3cc[nH]n3 271570a_100000062414_100000737414 [0,0,0,1,0,1|1,0,1]=4 1733 B17R3.1917 c1ccc2ncc(cc2c1)c3cc[nH]n3 271570a_100012350238_100000062575 [0,0,0,1,0,1|1,0,1]=4 1734 B17R3.3423 Cc1c(oc2c1cccc2)c3cc[nH]n3 271570a_100009874717_100000062575 [0,1,0,1,0,0|1,0,1]=4 1735 B17R3.3423 Cc1c(sc2c1cccc2)c3cc[nH]n3 271570a_100000062414_200010198769 [0,1,0,1,0,0|1,1,0]=4 1736 B17R3.3423 Cn1c(cc2c1cccc2)c3cc[nH]n3 271570a_100010171889_100000062575 [0,1,0,1,0,0|1,0,0]=3 1737 B17R3.3423 Cn1c(cc2c1cccc2)c3ccsn3 271570a_100010171889_100009818082 [0,1,0,1,0,0|2,0,0]=4 1738 B17R3.3423 Cn1c(cc2c1cccc2)c3nc[nH]n3 271570a_100010171889_100000761765 [0,1,0,1,0,0|2,0,0]=4 1739 B17R3.3423 Cn1c(nc2c1cccc2)c3cc[nH]c3 271570a_100000102155_200000239431 [0,1,0,1,0,0|2,0,0]=4 1740 B17R3.3423 Cn1c(nc2c1cccc2)c3cc[nH]n3 271570a_100000062414_200000239431 [0,1,0,1,0,0|1,0,0]=3 1741 B17R3.30918 Brc1ccc2[nH]c(cc2c1)c3cc[nH]c3 271570a_100000102155_100011012855 [0,1,0,1,0,0|2,0,0]=4 1742 B17R3.30918 Brc1ccc2[nH]c(cc2c1)c3cc[nH]n3 271570a_100000062414_100011012855 [0,1,0,1,0,0|1,0,0]=3 1743 B17R3.30918 Brc1ccc2cc([nH]c2c1)c3cc[nH]n3 271570a_200010246288_100000062575 [0,1,0,1,0,0|1,0,0]=3 1744 B17R3.30918 Brc1ccc2cc([nH]c2c1)c3ccsn3 271570a_200010246288_100009818082 [0,1,0,1,0,0|2,0,0]=4 1745 B17R3.30918 Brc1ccc2cc([nH]c2c1)c3nc[nH]n3 271570a_200010246288_100000761765 [0,1,0,1,0,0|2,0,0]=4 1746 B17R3.30918 Brc1ccc2cc(sc2c1)c3cc[nH]n3 271570a_100015653926_100000062575 [0,1,0,1,0,0|1,1,0]=4 1747 B17R3.30918 Brc1ccc2oc(cc2c1)c3cc[nH]n3 271570a_100010176198_100000062575 [0,1,0,1,0,0|1,0,1]=4 1748 B17R3.30918 Brc1ccc2sc(cc2c1)c3cc[nH]n3 271570a_100000062414_200010198765 [0,1,0,1,0,0|1,1,0]=4 1749 B17R3.30918 Cc1ccc2cc([nH]c2c1)c3cc[nH]n3 271570a_100010246276_100000062575 [0,1,0,1,0,0|1,0,0]=3 1750 B17R3.30918 Cc1ccc2cc([nH]c2c1)c3ccsn3 271570a_100010246276_100009818082 [0,1,0,1,0,0|2,0,0]=4 1751 B17R3.30918 Cc1ccc2cc([nH]c2c1)c3nc[nH]n3 271570a_100010246276_100000761765 [0,1,0,1,0,0|2,0,0]=4 1752 B17R3.30918 Cc1ccc2nc(sc2c1)c3cc[nH]n3 271570a_100000062414_100010186437 [0,1,0,1,0,0|0,1,1]=4 1753 B17R3.30918 Cc1ccc2oc(cc2c1)c3cc[nH]n3 271570a_200013722915_100000062575 [0,1,0,1,0,0|1,0,1]=4 1754 B17R3.30918 Cc1ccc2sc(cc2c1)c3cc[nH]n3 271570a_100000057607_100000062575 [0,1,0,1,0,0|1,1,0]=4 1755 B17R3.30918 Clc1ccc2[nH]c(cc2c1)c3cc[nH]n3 271570a_100010246260_100000062575 [0,1,0,1,0,0|1,0,0]=3 1756 B17R3.30918 Clc1ccc2[nH]c(cc2c1)c3ccsn3 271570a_100010246260_100009818082 [0,1,0,1,0,0|2,0,0]=4 1757 B17R3.30918 Clc1ccc2[nH]c(cc2c1)c3nc[nH]n3 271570a_100010246260_100000761765 [0,1,0,1,0,0|2,0,0]=4 1758 B17R3.30918 Clc1ccc2oc(cc2c1)c3cc[nH]n3 271570a_100012186365_100000062575 [0,1,0,1,0,0|1,0,1]=4 1759 B17R3.30918 Fc1ccc2[nH]c(cc2c1)c3cc[nH]n3 271570a_100010246264_100000062575 [0,1,0,1,0,0|1,0,0]=3 1760 B17R3.30918 Fc1ccc2[nH]c(cc2c1)c3ccsn3 271570a_100010246264_100009818082 [0,1,0,1,0,0|2,0,0]=4 1761 B17R3.30918 Fc1ccc2[nH]c(cc2c1)c3nc[nH]n3 271570a_100010246264_100000761765 [0,1,0,1,0,0|2,0,0]=4 1762 B17R3.30918 Fc1ccc2nc(sc2c1)c3cc[nH]n3 271570a_100000062414_100000751617 [0,1,0,1,0,0|0,1,1]=4 1763 B17R3.30918 Fc1ccc2oc(cc2c1)c3cc[nH]n3 271570a_100012185221_100000062575 [0,1,0,1,0,0|1,0,1]=4 1764 B17R3.30918 Fc1ccc2sc(nc2c1)c3cc[nH]n3 271570a_100000062414_200010206605 [0,1,0,1,0,0|0,1,1]=4 1765 B17R3.30918 Nc1ccc2nc(sc2c1)c3cc[nH]n3 271570a_100000062414_100010253933 [0,1,0,1,0,0|0,1,1]=4 1766 B17R3.30918 Nc1ccc2sc(nc2c1)c3cc[nH]n3 271570a_100000062414_100010329861 [0,1,0,1,0,0|0,1,1]=4 1767 B17R3.30918 Oc1ccc2nc(sc2c1)c3cc[nH]n3 271570a_100000062414_100010063415 [0,1,0,1,0,0|0,1,1]=4 1768 B17R3.4464 Brc1cccc2c1[nH]c(c2)c3cc[nH]c3 271570a_100000102155_100135389745 [0,1,0,1,0,0|2,0,0]=4 1769 B17R3.4464 Brc1cccc2c1[nH]c(c2)c3cc[nH]n3 271570a_100000062414_100135389745 [0,1,0,1,0,0|1,0,0]=3 1770 B17R3.4464 Brc1cccc2c1[nH]c(c2)c3cc[nH]n3 271570a_200010246277_100000062575 [0,1,0,1,0,0|1,0,0]=3 1771 B17R3.4464 Brc1cccc2c1[nH]c(c2)c3ccsn3 271570a_200010246277_100009818082 [0,1,0,1,0,0|2,0,0]=4 1772 B17R3.4464 Brc1cccc2c1[nH]c(c2)c3nc[nH]n3 271570a_200010246277_100000761765 [0,1,0,1,0,0|2,0,0]=4 1773 B17R3.4464 Cc1cccc2c1[nH]c(c2)c3cc[nH]n3 271570a_100010246273_100000062575 [0,1,0,1,0,0|1,0,0]=3 1774 B17R3.4464 Cc1cccc2c1[nH]c(c2)c3ccsn3 271570a_100010246273_100009818082 [0,1,0,1,0,0|2,0,0]=4 1775 B17R3.4464 Cc1cccc2c1[nH]c(c2)c3nc[nH]n3 271570a_100010246273_100000761765 [0,1,0,1,0,0|2,0,0]=4 1776 B17R3.4464 Cc1cccc2c1nc(s2)c3cc[nH]n3 271570a_100000062414_100010008827 [0,1,0,1,0,0|0,1,1]=4 1777 B17R3.4464 Clc1cccc2c1[nH]c(c2)c3cc[nH]n3 271570a_100015811879_100000062575 [0,1,0,1,0,0|1,0,0]=3 1778 B17R3.4464 Clc1cccc2c1[nH]c(c2)c3ccsn3 271570a_100015811879_100009818082 [0,1,0,1,0,0|2,0,0]=4 1779 B17R3.4464 Clc1cccc2c1[nH]c(c2)c3nc[nH]n3 271570a_100015811879_100000761765 [0,1,0,1,0,0|2,0,0]=4 1780 B17R3.4464 Clc1cccc2c1cc([nH]2)c3cc[nH]n3 271570a_100010246266_100000062575 [0,1,0,1,0,0|1,0,0]=3 1781 B17R3.4464 Clc1cccc2c1cc([nH]2)c3ccsn3 271570a_100010246266_100009818082 [0,1,0,1,0,0|2,0,0]=4 1782 B17R3.4464 Clc1cccc2c1cc([nH]2)c3nc[nH]n3 271570a_100010246266_100000761765 [0,1,0,1,0,0|2,0,0]=4 1783 B17R3.4464 Clc1ccnc2c1cc([nH]2)c3cc[nH]n3 271570a_100000062414_100010234028 [0,1,0,1,0,0|2,0,0]=4 1784 B17R3.4464 Fc1cccc2c1[nH]c(c2)c3cc[nH]n3 271570a_100010082618_100000062575 [0,1,0,1,0,0|1,0,0]=3 1785 B17R3.4464 Fc1cccc2c1[nH]c(c2)c3ccsn3 271570a_100010082618_100009818082 [0,1,0,1,0,0|2,0,0]=4 1786 B17R3.4464 Fc1cccc2c1[nH]c(c2)c3nc[nH]n3 271570a_100010082618_100000761765 [0,1,0,1,0,0|2,0,0]=4 1787 B17R3.4464 Fc1cccc2c1cc([nH]2)c3cc[nH]n3 271570a_100010071326_100000062575 [0,1,0,1,0,0|1,0,0]=3 1788 B17R3.4464 Fc1cccc2c1cc([nH]2)c3ccsn3 271570a_100010071326_100009818082 [0,1,0,1,0,0|2,0,0]=4 1789 B17R3.4464 Fc1cccc2c1cc([nH]2)c3nc[nH]n3 271570a_100010071326_100000761765 [0,1,0,1,0,0|2,0,0]=4 1790 B17R3.4464 Fc1cccc2c1cc(o2)c3cc[nH]n3 271570a_200011102740_100000062575 [0,1,0,1,0,0|1,0,1]=4 1791 B17R3.4464 Fc1cccc2c1nc(s2)c3cc[nH]n3 271570a_100000062414_100010008856 [0,1,0,1,0,0|0,1,1]=4 1792 B17R3.17530 Cc1cc(n[nH]1)C2=Cc3ccccc3C2 271570a_100010239756_100015199547 [0,1,0,1,0,0|2,0,0]=4 1793 B17R3.17530 Cc1cc(n[nH]1)c2cc3ccccc3[nH]2 271570a_100009872134_100010232065 [0,1,0,1,0,0|1,0,0]=3 1794 B17R3.17530 Cc1cc(n[nH]1)c2cc3ccccc3[nH]2 271570a_100010206980_100015199547 [0,1,0,1,0,0|1,0,0]=3 1795 B17R3.17530 Cc1cc(n[nH]1)c2cc3ccccc3o2 271570a_100009872134_100010159458 [0,1,0,1,0,0|1,0,1]=4 1796 B17R3.17530 Cc1cc(n[nH]1)c2cc3ccccc3o2 271570a_100011328764_100015199547 [0,1,0,1,0,0|1,0,1]=4 1797 B17R3.17530 Cc1cc(n[nH]1)c2cc3ccccc3s2 271570a_100000034353_100015199547 [0,1,0,1,0,0|1,1,0]=4 1798 B17R3.17530 Cc1cc(n[nH]1)c2cc3ccccc3s2 271570a_100009872134_100009816949 [0,1,0,1,0,0|1,1,0]=4 1799 B17R3.17530 Cc1cc(n[nH]1)c2cc3cccnc3[nH]2 271570a_100009872134_100010079843 [0,1,0,1,0,0|2,0,0]=4 1800 B17R3.17530 Cc1cc(n[nH]1)c2nc3ccccc3[nH]2 271570a_100009872134_100009814255 [0,1,0,1,0,0|1,0,0]=3 1801 B17R3.17530 Cc1cc(n[nH]1)c2nc3ccccc3s2 271570a_100009872134_100000751744 [0,1,0,1,0,0|0,1,1]=4 1802 B17R3.17530 Cc1cc(n[nH]1)c2nc3ccccc3s2 271570a_200000082171_100015199547 [0,1,0,1,0,0|0,1,1]=4 1803 B17R3.17530 Cc1nc(n[nH]1)c2cc3ccccc3[nH]2 271570a_100010206980_100000732540 [0,1,0,1,0,0|2,0,0]=4 1804 B17R3.17530 Cn1ccc(c1)c2cc3ccccc3[nH]2 271570a_100010172022_100010232065 [0,1,0,1,0,0|2,0,0]=4 1805 B17R3.17530 Cn1ccc(c1)c2nc3ccccc3[nH]2 271570a_100010172022_100009814255 [0,1,0,1,0,0|2,0,0]=4 1806 B17R3.17530 Cn1ccc(n1)C2=Cc3ccccc3C2 271570a_100010239756_100000752436 [0,1,0,1,0,0|2,0,0]=4 1807 B17R3.17530 Cn1ccc(n1)c2cc3ccccc3[nH]2 271570a_100010206980_100000752436 [0,1,0,1,0,0|1,0,0]=3 1808 B17R3.17530 Cn1ccc(n1)c2cc3ccccc3[nH]2 271570a_100012348833_100010232065 [0,1,0,1,0,0|1,0,0]=3 1809 B17R3.17530 Cn1ccc(n1)c2cc3ccccc3o2 271570a_100011328764_100000752436 [0,1,0,1,0,0|1,0,1]=4 1810 B17R3.17530 Cn1ccc(n1)c2cc3ccccc3o2 271570a_100012348833_100010159458 [0,1,0,1,0,0|1,0,1]=4 1811 B17R3.17530 Cn1ccc(n1)c2cc3ccccc3s2 271570a_100000034353_100000752436 [0,1,0,1,0,0|1,1,0]=4 1812 B17R3.17530 Cn1ccc(n1)c2cc3ccccc3s2 271570a_100012348833_100009816949 [0,1,0,1,0,0|1,1,0]=4 1813 B17R3.17530 Cn1ccc(n1)c2cc3cccnc3[nH]2 271570a_100012348833_100010079843 [0,1,0,1,0,0|2,0,0]=4 1814 B17R3.17530 Cn1ccc(n1)c2nc3ccccc3[nH]2 271570a_100012348833_100009814255 [0,1,0,1,0,0|1,0,0]=3 1815 B17R3.17530 Cn1ccc(n1)c2nc3ccccc3s2 271570a_100012348833_100000751744 [0,1,0,1,0,0|0,1,1]=4 1816 B17R3.17530 Cn1ccc(n1)c2nc3ccccc3s2 271570a_200000082171_100000752436 [0,1,0,1,0,0|0,1,1]=4 1817 B17R3.17530 Cn1cnc(n1)c2cc3ccccc3[nH]2 271570a_100010206980_100009819955 [0,1,0,1,0,0|2,0,0]=4 1818 B17R3.17530 Cn1ncc(n1)c2cc3ccccc3[nH]2 271570a_100010206980_100000733932 [0,1,0,1,0,0|2,0,0]=4 1819 B17R3.17530 Nc1cc(n[nH]1)C2=Cc3ccccc3C2 271570a_100010239756_100009822546 [0,1,0,1,0,0|2,0,0]=4 1820 B17R3.17530 Nc1cc(n[nH]1)c2cc3ccccc3[nH]2 271570a_100010206980_100009822546 [0,1,0,1,0,0|1,0,0]=3 1821 B17R3.17530 Nc1cc(n[nH]1)c2cc3ccccc3o2 271570a_100011328764_100009822546 [0,1,0,1,0,0|1,0,1]=4 1822 B17R3.17530 Nc1cc(n[nH]1)c2cc3ccccc3s2 271570a_100000034353_100009822546 [0,1,0,1,0,0|1,1,0]=4 1823 B17R3.17530 Nc1cc(n[nH]1)c2nc3ccccc3s2 271570a_200000082171_100009822546 [0,1,0,1,0,0|0,1,1]=4 1824 B17R3.17530 Nc1nc(n[nH]1)c2cc3ccccc3[nH]2 271570a_100010206980_100015184587 [0,1,0,1,0,0|2,0,0]=4 1825 B17R3.24914 Brc1c[nH]nc1C2=Cc3ccccc3C2 271570a_100010239756_100015839836 [0,1,0,1,0,0|2,0,0]=4 1826 B17R3.24914 Brc1c[nH]nc1c2cc3ccccc3[nH]2 271570a_100010206980_100015839836 [0,1,0,1,0,0|1,0,0]=3 1827 B17R3.24914 Brc1c[nH]nc1c2cc3ccccc3o2 271570a_100011328764_100015839836 [0,1,0,1,0,0|1,0,1]=4 1828 B17R3.24914 Brc1c[nH]nc1c2cc3ccccc3s2 271570a_100000034353_100015839836 [0,1,0,1,0,0|1,1,0]=4 1829 B17R3.24914 Brc1c[nH]nc1c2nc3ccccc3s2 271570a_200000082171_100015839836 [0,1,0,1,0,0|0,1,1]=4 1830 B17R3.24914 Cc1c[nH]nc1C2=Cc3ccccc3C2 271570a_100010239756_100009871783 [0,1,0,1,0,0|2,0,0]=4 1831 B17R3.24914 Cc1c[nH]nc1c2cc3ccccc3[nH]2 271570a_100010206980_100009871783 [0,1,0,1,0,0|1,0,0]=3 1832 B17R3.24914 Cc1c[nH]nc1c2cc3ccccc3[nH]2 271570a_100102527747_100010232065 [0,1,0,1,0,0|1,0,0]=3 1833 B17R3.24914 Cc1c[nH]nc1c2cc3ccccc3o2 271570a_100011328764_100009871783 [0,1,0,1,0,0|1,0,1]=4 1834 B17R3.24914 Cc1c[nH]nc1c2cc3ccccc3o2 271570a_100102527747_100010159458 [0,1,0,1,0,0|1,0,1]=4 1835 B17R3.24914 Cc1c[nH]nc1c2cc3ccccc3s2 271570a_100000034353_100009871783 [0,1,0,1,0,0|1,1,0]=4 1836 B17R3.24914 Cc1c[nH]nc1c2cc3ccccc3s2 271570a_100102527747_100009816949 [0,1,0,1,0,0|1,1,0]=4 1837 B17R3.24914 Cc1c[nH]nc1c2cc3cccnc3[nH]2 271570a_100102527747_100010079843 [0,1,0,1,0,0|2,0,0]=4 1838 B17R3.24914 Cc1c[nH]nc1c2nc3ccccc3[nH]2 271570a_100102527747_100009814255 [0,1,0,1,0,0|1,0,0]=3 1839 B17R3.24914 Cc1c[nH]nc1c2nc3ccccc3s2 271570a_100102527747_100000751744 [0,1,0,1,0,0|0,1,1]=4 1840 B17R3.24914 Cc1c[nH]nc1c2nc3ccccc3s2 271570a_200000082171_100009871783 [0,1,0,1,0,0|0,1,1]=4 1841 B17R3.24914 Nc1c[nH]nc1C2=Cc3ccccc3C2 271570a_100010239756_100010894806 [0,1,0,1,0,0|2,0,0]=4 1842 B17R3.24914 Nc1c[nH]nc1c2cc3ccccc3[nH]2 271570a_100010206980_100010894806 [0,1,0,1,0,0|1,0,0]=3 1843 B17R3.24914 Nc1c[nH]nc1c2cc3ccccc3o2 271570a_100011328764_100010894806 [0,1,0,1,0,0|1,0,1]=4 1844 B17R3.24914 Nc1c[nH]nc1c2cc3ccccc3s2 271570a_100000034353_100010894806 [0,1,0,1,0,0|1,1,0]=4 1845 B17R3.24914 Nc1c[nH]nc1c2nc3ccccc3s2 271570a_200000082171_100010894806 [0,1,0,1,0,0|0,1,1]=4 1846 B13R2.64 c1cc(ccn1)Sc2cc[nH]n2 62a_100000062575_100000728582 [1,0,0,0,1,0|2,0,0]=4 1847 B13R2.64 c1cc(ccn1)Sc2cc[nH]n2 62a_100000728582_100000062575 [1,0,0,0,1,0|2,0,0]=4 1848 B13R2.64 c1ccc(cc1)Nc2nncs2 27a_100000106764_100000739804 [1,0,0,0,1,0|1,0,1]=4 1849 B13R2.64 c1ccc(cc1)Sc2cc[nH]n2 62a_100000062575_100000041952 [1,0,0,0,1,0|1,0,0]=3 1850 B13R2.64 c1ccc(cc1)Sc2cc[nH]n2 62a_100000719477_100000062575 [1,0,0,0,1,0|1,0,0]=3 1851 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100000719477_100009818083 [1,0,0,0,1,0|2,0,0]=4 1852 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100009818083_100000041952 [1,0,0,0,1,0|2,0,0]=4 1853 B13R2.64 c1ccc(cc1)Sc2ccsn2 62a_100000719477_100009818082 [1,0,0,0,1,0|2,0,0]=4 1854 B13R2.64 c1ccc(cc1)Sc2ccsn2 62a_100009818082_100000041952 [1,0,0,0,1,0|2,0,0]=4 1855 B13R2.64 c1ccc(cc1)Sc2nc[nH]n2 62a_100000719477_100000761765 [1,0,0,0,1,0|2,0,0]=4 1856 B13R2.64 c1ccc(cc1)Sc2nc[nH]n2 62a_100000761765_100000041952 [1,0,0,0,1,0|2,0,0]=4 1857 B13R2.64 c1ccc(nc1)Sc2cc[nH]n2 62a_100000062575_100011216584 [1,0,0,0,1,0|2,0,0]=4 1858 B13R2.64 c1ccc(nc1)Sc2cc[nH]n2 62a_100011216584_100000062575 [1,0,0,0,1,0|2,0,0]=4 1859 B13R2.64 c1cncc(c1)Sc2cc[nH]n2 62a_100000062575_100000210063 [1,0,0,0,1,0|2,0,0]=4 1860 B13R2.64 c1cncc(c1)Sc2cc[nH]n2 62a_100000210063_100000062575 [1,0,0,0,1,0|2,0,0]=4 1861 B15R1.78 C/C=C/C=CC(=O)NCc1ccccc1 11a_100015324214_100000185730 [0,0,1,0,0,1|2,0,0]=4 1862 B15R1.78 C/C=C/C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185730 [0,0,1,0,0,1|2,0,0]=4 1863 B15R1.78 C/C=C/C=CC(=O)NCc1ccccc1 240690a_100015324214_100000185730 [0,0,1,0,0,1|2,0,0]=4 1864 B15R1.78 C/C=C/C=CC(=O)NNc1ccccc1 22a_100015195140_100000185730 [0,0,1,0,0,1|2,0,0]=4 1865 B15R2.2195 C(=Cc1ccccn1)c2ccccc2 271570a_100102527694_100011216584 [1,0,0,0,0,1|2,0,0]=4 1866 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102525586_100000210277 [1,0,0,0,0,1|2,0,0]=4 1867 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102527694_100000752921 [1,0,0,0,0,1|2,0,0]=4 1868 B15R2.2195 C(=Cc1cccnn1)c2ccccc2 271570a_100102527694_100016991348 [1,0,0,0,0,1|1,0,1]=4 1869 B15R2.2195 C(=Cc1ccncn1)c2ccccc2 271570a_100102527694_100000703185 [1,0,0,0,0,1|1,0,1]=4 1870 B15R2.2195 C(=Cc1ccnnc1)c2ccccc2 271570a_100102527694_100000732662 [1,0,0,0,0,1|1,0,1]=4 1871 B15R2.2195 C(=Cc1cnccn1)c2ccccc2 271570a_100102527694_100000758340 [1,0,0,0,0,1|2,0,0]=4 1872 B15R2.2195 C(=Cc1ncccn1)c2ccccc2 271570a_100102527694_100000211032 [1,0,0,0,0,1|2,0,0]=4 1873 B15R2.2195 c1ccc(cc1)NCc2ccccn2 207a_100000106764_100000209966 [1,0,0,0,0,1|1,0,1]=4 1874 B15R2.2195 c1ccc(cc1)NCc2ccccn2 270302a_100000106764_100000209966 [1,0,0,0,0,1|1,0,1]=4 1875 B15R2.2195 c1ccc(cc1)NCc2ccccn2 34a_100000106764_100000721315 [1,0,0,0,0,1|1,0,1]=4 1876 B15R2.2195 c1ccc(cc1)NCc2cccnc2 207a_100000106764_100000209961 [1,0,0,0,0,1|1,0,1]=4 1877 B15R2.2195 c1ccc(cc1)NCc2cccnc2 270302a_100000106764_100000209961 [1,0,0,0,0,1|1,0,1]=4 1878 B15R2.2195 c1ccc(cc1)NCc2cccnc2 34a_100000106764_100000733263 [1,0,0,0,0,1|1,0,1]=4 1879 B15R2.2195 c1ccc(cc1)NCc2cccnn2 34a_100000106764_100016990269 [1,0,0,0,0,1|0,0,2]=4 1880 B15R2.2195 c1ccc(cc1)NCc2ccnnc2 270302a_100000106764_100011934578 [1,0,0,0,0,1|0,0,2]=4 1881 B15R2.2195 c1ccc(cc1)NCc2cnccn2 34a_100000106764_100016995436 [1,0,0,0,0,1|1,0,1]=4 1882 B15R2.2195 c1ccc(cc1)NCc2ncccn2 34a_100000106764_100000703007 [1,0,0,0,0,1|1,0,1]=4 1883 B15R2.2196 C(=Cc1cc[nH]n1)Cc2ccccc2 271570a_200016263579_100000062575 [1,0,0,0,0,1|1,0,0]=3 1884 B15R2.2196 C(=Cc1ccsn1)Cc2ccccc2 271570a_200016263579_100009818082 [1,0,0,0,0,1|2,0,0]=4 1885 B15R2.2196 C(=Cc1nc[nH]n1)Cc2ccccc2 271570a_200016263579_100000761765 [1,0,0,0,0,1|2,0,0]=4 1886 B15R2.2196 C(=NNc1ccccc1)c2cc[nH]c2 4a_100015195140_100000760201 [1,0,0,0,0,1|1,0,0]=3 1887 B15R2.2196 C(=NNc1ccccc1)c2cc[nH]n2 4a_100015195140_100000738523 [1,0,0,0,0,1|0,0,0]=2 1888 B15R2.2196 C(=NNc1ccccc1)c2ccc[nH]2 4a_100015195140_100000211237 [1,0,0,0,0,1|1,0,1]=4 1889 B15R2.2196 C(=NNc1ccccc1)c2ccco2 4a_100015195140_100000186105 [1,0,0,0,0,1|2,0,0]=4 1890 B15R2.2196 C(=NNc1ccccc1)c2cccs2 4a_100015195140_100000209959 [1,0,0,0,0,1|2,0,0]=4 1891 B15R2.2196 C(=NNc1ccccc1)c2ccoc2 4a_100015195140_100011215517 [1,0,0,0,0,1|2,0,0]=4 1892 B15R2.2196 C(=NNc1ccccc1)c2ccsc2 4a_100015195140_100000188534 [1,0,0,0,0,1|2,0,0]=4 1893 B15R2.2196 C(=NNc1ccccc1)c2cn[nH]c2 4a_100015195140_100016992096 [1,0,0,0,0,1|2,0,0]=4 1894 B15R2.2196 C(=NNc1ccccc1)c2cocn2 4a_100015195140_100000050382 [1,0,0,0,0,1|2,0,0]=4 1895 B15R2.2196 C(=NNc1ccccc1)c2cscn2 4a_100015195140_100000743575 [1,0,0,0,0,1|2,0,0]=4 1896 B15R2.2196 C(=NNc1ccccc1)c2csnn2 4a_100015195140_100000738508 [1,0,0,0,0,1|1,0,1]=4 1897 B15R2.2196 C(=NNc1ccccc1)c2ncc[nH]2 4a_100015195140_100000743867 [1,0,0,0,0,1|2,0,0]=4 1898 B15R2.2196 C(=NNc1ccccc1)c2ncco2 4a_100015195140_100000064290 [1,0,0,0,0,1|2,0,0]=4 1899 B15R2.2196 C(=NNc1ccccc1)c2nccs2 4a_100015195140_100000750902 [1,0,0,0,0,1|2,0,0]=4 1900 B15R2.2196 C(=NNc1ccccn1)c2cc[nH]c2 4a_100000183288_100000760201 [1,0,0,0,0,1|2,0,0]=4 1901 B15R2.2196 C(=NNc1ccccn1)c2cc[nH]n2 4a_100000183288_100000738523 [1,0,0,0,0,1|1,0,0]=3 1902 B15R2.2196 C(=NNc1cccnc1)c2cc[nH]c2 4a_100000728903_100000760201 [1,0,0,0,0,1|2,0,0]=4 1903 B15R2.2196 C(=NNc1cccnc1)c2cc[nH]n2 4a_100000728903_100000738523 [1,0,0,0,0,1|1,0,0]=3 1904 B15R2.2196 C(=NNc1cccnn1)c2cc[nH]n2 4a_100000757824_100000738523 [1,0,0,0,0,1|2,0,0]=4 1905 B15R2.2196 C(=NNc1ccncc1)c2cc[nH]c2 4a_100000698918_100000760201 [1,0,0,0,0,1|2,0,0]=4 1906 B15R2.2196 C(=NNc1ccncc1)c2cc[nH]n2 4a_100000698918_100000738523 [1,0,0,0,0,1|1,0,0]=3 1907 B15R2.2196 C(=NNc1ccncn1)c2cc[nH]n2 4a_100011438088_100000738523 [1,0,0,0,0,1|2,0,0]=4 1908 B15R2.2196 C(=NNc1cnccn1)c2cc[nH]n2 4a_100000736894_100000738523 [1,0,0,0,0,1|2,0,0]=4 1909 B15R2.2196 C(=NNc1ncccn1)c2cc[nH]n2 4a_100000736892_100000738523 [1,0,0,0,0,1|2,0,0]=4 1910 B15R2.2196 c1cc(ccn1)CNCc2cc[nH]n2 207a_100000739516_100000186114 [1,0,0,0,0,1|1,0,1]=4 1911 B15R2.2196 c1ccc(cc1)CCSc2cc[nH]n2 62a_100000062575_100011218657 [1,0,0,0,0,1|1,0,1]=4 1912 B15R2.2196 c1ccc(cc1)CCSc2cc[nH]n2 62a_100000765856_100000062575 [1,0,0,0,0,1|1,0,1]=4 1913 B15R2.2196 c1ccc(cc1)CNCc2cc[nH]n2 207a_100000739516_100015611070 [1,0,0,0,0,1|0,0,1]=3 1914 B15R2.2196 c1ccc(cc1)CNCc2cc[nH]n2 207a_100015324214_100000738523 [1,0,0,0,0,1|0,0,1]=3 1915 B15R2.2196 c1ccc(cc1)CNCc2cc[nH]n2 270004a_100015324214_100000738523 [1,0,0,0,0,1|0,0,1]=3 1916 B15R2.2196 c1ccc(cc1)CNCc2ccon2 207a_100000688301_100015611070 [1,0,0,0,0,1|1,0,1]=4 1917 B15R2.2196 c1ccc(cc1)CNCc2ccon2 2230a_100015324214_100000234950 [1,0,0,0,0,1|1,0,1]=4 1918 B15R2.2196 c1ccc(cc1)CNCc2ccon2 270004a_100000688301_100015611070 [1,0,0,0,0,1|1,0,1]=4 1919 B15R2.2196 c1ccc(cc1)CNCc2ccon2 34a_100015324214_100000234950 [1,0,0,0,0,1|1,0,1]=4 1920 B15R2.2196 c1ccc(cc1)SCSc2cc[nH]n2 62a_100000062575_100011218342 [1,0,0,0,0,1|1,0,1]=4 1921 B15R2.2196 c1ccc(cc1)SCSc2cc[nH]n2 62a_100011218342_100000062575 [1,0,0,0,0,1|1,0,1]=4 1922 B15R2.2196 c1ccc(nc1)CNCc2cc[nH]n2 207a_100000739516_100000209966 [1,0,0,0,0,1|1,0,1]=4 1923 B15R2.2196 c1ccc(nc1)CNCc2cc[nH]n2 270004a_100000210449_100000738523 [1,0,0,0,0,1|1,0,1]=4 1924 B15R2.2196 c1cncc(c1)CNCc2cc[nH]n2 207a_100000210453_100000738523 [1,0,0,0,0,1|1,0,1]=4 1925 B15R2.2196 c1cncc(c1)CNCc2cc[nH]n2 207a_100000739516_100000209961 [1,0,0,0,0,1|1,0,1]=4 1926 B15R2.2196 c1cncc(c1)CNCc2cc[nH]n2 270004a_100000210453_100000738523 [1,0,0,0,0,1|1,0,1]=4 1927 B15R2.2226 C=C(c1ccccc1)c2ccccn2 271570a_100000068269_100011216584 [0,0,0,0,1,1|2,0,0]=4 1928 B15R2.2226 C=C(c1ccccc1)c2cccnc2 271570a_100000068269_100000752921 [0,0,0,0,1,1|2,0,0]=4 1929 B15R2.2226 C=C(c1ccccc1)c2cccnn2 271570a_100000068269_100016991348 [0,0,0,0,1,1|1,0,1]=4 1930 B15R2.2226 C=C(c1ccccc1)c2ccncn2 271570a_100000068269_100000703185 [0,0,0,0,1,1|1,0,1]=4 1931 B15R2.2226 C=C(c1ccccc1)c2ccnnc2 271570a_100000068269_100000732662 [0,0,0,0,1,1|1,0,1]=4 1932 B15R2.2226 C=C(c1ccccc1)c2cnccn2 271570a_100000068269_100000758340 [0,0,0,0,1,1|2,0,0]=4 1933 B15R2.2226 C=C(c1ccccc1)c2ncccn2 271570a_100000068269_100000211032 [0,0,0,0,1,1|2,0,0]=4 1934 B17R2.143 O=C(Cc1ccccc1)Cc2ccccn2 1458a_100000233486_100015291786 [0,0,0,0,0,2|2,0,0]=4 1935 B17R2.143 O=C(Cc1ccccc1)Cc2cccnc2 1458a_100000737805_100015291786 [0,0,0,0,0,2|2,0,0]=4 1936 B17R2.143 O=C(Cc1ccccn1)Nc2ccccc2 11a_100000106764_100000233486 [0,0,0,0,0,2|1,0,0]=3 1937 B17R2.143 O=C(Cc1ccccn1)Nc2ccccc2 22a_100000106764_100000233486 [0,0,0,0,0,2|1,0,0]=3 1938 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 11a_100000106764_100000737805 [0,0,0,0,0,2|1,0,0]=3 1939 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 22a_100000106764_100000737805 [0,0,0,0,0,2|1,0,0]=3 1940 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 527a_100000106764_100000737805 [0,0,0,0,0,2|1,0,0]=3 1941 B17R2.143 O=C(Cc1ccncc1)Nc2ccccc2 11a_100000106764_100011201483 [0,0,0,0,0,2|1,0,1]=4 1942 B17R2.143 O=C(Cc1ccncc1)Nc2ccccc2 22a_100000106764_100011201483 [0,0,0,0,0,2|1,0,1]=4 1943 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 11a_100000106764_100000726051 [0,0,0,0,0,2|1,0,0]=3 1944 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 22a_100000106764_100000726051 [0,0,0,0,0,2|1,0,0]=3 1945 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 527a_100000106764_100000726051 [0,0,0,0,0,2|1,0,0]=3 1946 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 11a_100000106764_100000721575 [0,0,0,0,0,2|1,0,1]=4 1947 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 22a_100000106764_100000721575 [0,0,0,0,0,2|1,0,1]=4 1948 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 527a_100000106764_100000721575 [0,0,0,0,0,2|1,0,1]=4 1949 B17R2.2342 CC(=NNc1ccccc1)c2ccccn2 4a_100015195140_100000210467 [0,0,0,0,0,2|2,0,0]=4 1950 B17R2.2342 CC(=NNc1ccccc1)c2cccnc2 4a_100015195140_100000210468 [0,0,0,0,0,2|2,0,0]=4 1951 B17R2.2342 CC(=NNc1ccccc1)c2cccnn2 4a_100015195140_100009866853 [0,0,0,0,0,2|1,0,1]=4 1952 B17R2.2342 CC(=NNc1ccccc1)c2ccncn2 4a_100015195140_100011218417 [0,0,0,0,0,2|1,0,1]=4 1953 B17R2.2342 CC(=NNc1ccccc1)c2ccnnc2 4a_100015195140_100012182992 [0,0,0,0,0,2|1,0,1]=4 1954 B17R2.2342 CC(=NNc1ccccc1)c2cnccn2 4a_100015195140_100000751083 [0,0,0,0,0,2|2,0,0]=4 1955 B17R2.2342 CC(=NNc1ccccc1)c2ncccn2 4a_100015195140_100011350828 [0,0,0,0,0,2|2,0,0]=4 1956 B17R2.2342 O=C(CNc1ccccc1)c2ccccn2 34a_100000106764_100000027445 [0,0,0,0,0,2|1,0,0]=3 1957 B17R2.2342 O=C(COc1ccccc1)c2ccccn2 34a_100000210340_100000027445 [0,0,0,0,0,2|2,0,0]=4 1958 B17R2.2342 O=C(COc1ccccc1)c2ccccn2 7a_100000210340_100000027445 [0,0,0,0,0,2|2,0,0]=4 1959 B17R2.2342 O=C(CSc1ccccc1)c2ccccn2 62a_100000027445_100000041952 [0,0,0,0,0,2|2,0,0]=4 1960 B17R2.2342 O=C(CSc1ccccc1)c2ccccn2 62a_100000719477_100000027445 [0,0,0,0,0,2|2,0,0]=4 1961 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000719477_100000757877 [0,0,0,0,0,2|2,0,0]=4 1962 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000757877_100000041952 [0,0,0,0,0,2|2,0,0]=4 1963 B17R2.2342 O=C(CSc1ccccc1)c2ncccn2 62a_100000719477_100020636365 [0,0,0,0,0,2|2,0,0]=4 1964 B17R2.2342 O=C(CSc1ccccc1)c2ncccn2 62a_100020636365_100000041952 [0,0,0,0,0,2|2,0,0]=4 1965 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 11a_100015324214_100000185807 [0,0,0,0,0,2|2,0,0]=4 1966 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 1626a_100015324214_100000185807 [0,0,0,0,0,2|2,0,0]=4 1967 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 240690a_100015324214_100000185807 [0,0,0,0,0,2|2,0,0]=4 1968 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 527a_100015324214_100000185807 [0,0,0,0,0,2|2,0,0]=4 1969 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 22a_100015195140_100000185807 [0,0,0,0,0,2|2,0,0]=4 1970 B17R2.8341 O=C(C=Cc1c[nH]cn1)Nc2ccccc2 22a_100000106764_100102678534 [0,0,0,0,0,2|2,0,0]=4 1971 B17R2.8341 O=C(C=Cc1ccco1)Nc2ccccc2 22a_100000106764_100000720202 [0,0,0,0,0,2|2,0,0]=4 1972 B17R2.8341 O=C(C=Cc1cccs1)Nc2ccccc2 11a_100000106764_100000182767 [0,0,0,0,0,2|2,0,0]=4 1973 B17R2.8341 O=C(C=Cc1cccs1)Nc2ccccc2 1626a_100000106764_100000182767 [0,0,0,0,0,2|2,0,0]=4 1974 B17R2.8341 O=C(C=Cc1cccs1)Nc2ccccc2 22a_100000106764_100000182767 [0,0,0,0,0,2|2,0,0]=4 1975 B17R2.8341 O=C(C=Cc1ccoc1)Nc2ccccc2 11a_100000106764_100000238621 [0,0,0,0,0,2|2,0,0]=4 1976 B17R2.8341 O=C(C=Cc1ccoc1)Nc2ccccc2 1626a_100000106764_100000238621 [0,0,0,0,0,2|2,0,0]=4 1977 B17R2.8341 O=C(C=Cc1ccoc1)Nc2ccccc2 22a_100000106764_100000238621 [0,0,0,0,0,2|2,0,0]=4 1978 B17R2.8341 O=C(C=Cc1ccsc1)Nc2ccccc2 11a_100000106764_100000698588 [0,0,0,0,0,2|2,0,0]=4 1979 B17R2.8341 O=C(C=Cc1ccsc1)Nc2ccccc2 1626a_100000106764_100000698588 [0,0,0,0,0,2|2,0,0]=4 1980 B17R2.8341 O=C(C=Cc1ccsc1)Nc2ccccc2 22a_100000106764_100000698588 [0,0,0,0,0,2|2,0,0]=4 1981 B17R2.8341 O=C(C=Cc1ccsc1)Nc2ccccc2 527a_100000106764_100000698588 [0,0,0,0,0,2|2,0,0]=4 1982 B17R2.8341 O=C(C=Cc1cscn1)Nc2ccccc2 11a_100000106764_200000747928 [0,0,0,0,0,2|2,0,0]=4 1983 B17R2.8341 O=C(C=Cc1cscn1)Nc2ccccc2 1626a_100000106764_200000747928 [0,0,0,0,0,2|2,0,0]=4 1984 B17R2.8341 O=C(C=Cc1cscn1)Nc2ccccc2 22a_100000106764_200000747928 [0,0,0,0,0,2|2,0,0]=4 1985 B17R2.8341 O=C(C=Cc1nccs1)Nc2ccccc2 11a_100000106764_100102558208 [0,0,0,0,0,2|2,0,0]=4 1986 B17R2.8341 O=C(C=Cc1nccs1)Nc2ccccc2 22a_100000106764_100102558208 [0,0,0,0,0,2|2,0,0]=4 1987 B17R2.8341 O=C(CCc1cc[nH]c1)Cc2ccccc2 1458a_200000093579_100015291786 [0,0,0,0,0,2|2,0,0]=4 1988 B17R2.8341 O=C(CCc1cc[nH]c1)Nc2ccccc2 11a_100000106764_200000093579 [0,0,0,0,0,2|1,0,0]=3 1989 B17R2.8341 O=C(CCc1cc[nH]c1)Nc2ccccc2 22a_100000106764_200000093579 [0,0,0,0,0,2|1,0,0]=3 1990 B17R2.8341 O=C(CCc1cc[nH]c1)Nc2ccccc2 527a_100000106764_200000093579 [0,0,0,0,0,2|1,0,0]=3 1991 B17R2.8341 O=C(CCc1ccc[nH]1)Nc2ccccc2 11a_100000106764_200011998680 [0,0,0,0,0,2|1,0,1]=4 1992 B17R2.8341 O=C(CCc1ccc[nH]1)Nc2ccccc2 22a_100000106764_200011998680 [0,0,0,0,0,2|1,0,1]=4 1993 B17R2.8341 O=C(CCc1ccc[nH]1)Nc2ccccc2 527a_100000106764_200011998680 [0,0,0,0,0,2|1,0,1]=4 1994 B17R2.8341 O=C(CCc1ccco1)Nc2ccccc2 11a_100000106764_100000185103 [0,0,0,0,0,2|2,0,0]=4 1995 B17R2.8341 O=C(CCc1ccco1)Nc2ccccc2 1626a_100000106764_100000185103 [0,0,0,0,0,2|2,0,0]=4 1996 B17R2.8341 O=C(CCc1ccco1)Nc2ccccc2 22a_100000106764_100000185103 [0,0,0,0,0,2|2,0,0]=4 1997 B17R2.8341 O=C(CCc1ccco1)Nc2ccccc2 527a_100000106764_100000185103 [0,0,0,0,0,2|2,0,0]=4 1998 B17R2.8341 O=C(CCc1cccs1)Nc2ccccc2 11a_100000106764_100000185280 [0,0,0,0,0,2|2,0,0]=4 1999 B17R2.8341 O=C(CCc1cccs1)Nc2ccccc2 1626a_100000106764_100000185280 [0,0,0,0,0,2|2,0,0]=4 2000 B17R2.8341 O=C(CCc1cccs1)Nc2ccccc2 22a_100000106764_100000185280 [0,0,0,0,0,2|2,0,0]=4 2001 B17R2.8341 O=C(CCc1cccs1)Nc2ccccc2 527a_100000106764_100000185280 [0,0,0,0,0,2|2,0,0]=4 2002 B17R2.8341 O=C(CCc1ccsc1)Nc2ccccc2 11a_100000106764_100000195497 [0,0,0,0,0,2|2,0,0]=4 2003 B17R2.8341 O=C(CCc1ccsc1)Nc2ccccc2 1626a_100000106764_100000195497 [0,0,0,0,0,2|2,0,0]=4 2004 B17R2.8341 O=C(CCc1ccsc1)Nc2ccccc2 22a_100000106764_100000195497 [0,0,0,0,0,2|2,0,0]=4 2005 B17R2.8341 O=C(CCc1ccsc1)Nc2ccccc2 527a_100000106764_100000195497 [0,0,0,0,0,2|2,0,0]=4 2006 B17R2.8341 O=C(CCc1ncc[nH]1)Nc2ccccc2 22a_100000106764_100000722789 [0,0,0,0,0,2|2,0,0]=4 2007 B17R2.8341 O=C(CCc1ncc[nH]1)Nc2ccccc2 527a_100000106764_100000722789 [0,0,0,0,0,2|2,0,0]=4 2008 B17R2.8341 O=C(CCc1nccs1)Nc2ccccc2 11a_100000106764_100000742873 [0,0,0,0,0,2|2,0,0]=4 2009 B17R2.8341 O=C(CCc1nccs1)Nc2ccccc2 1626a_100000106764_100000742873 [0,0,0,0,0,2|2,0,0]=4 2010 B17R2.8341 O=C(CCc1nccs1)Nc2ccccc2 22a_100000106764_100000742873 [0,0,0,0,0,2|2,0,0]=4 2011 B17R2.8341 O=C(CCc1nccs1)Nc2ccccc2 527a_100000106764_100000742873 [0,0,0,0,0,2|2,0,0]=4 2012 B17R2.8341 O=C(CCn1cccn1)Nc2ccccc2 11a_100000106764_100000242649 [0,0,0,0,0,2|2,0,0]=4 2013 B17R2.8341 O=C(CCn1cccn1)Nc2ccccc2 1626a_100000106764_100000242649 [0,0,0,0,0,2|2,0,0]=4 2014 B17R2.8341 O=C(CCn1cccn1)Nc2ccccc2 22a_100000106764_100000242649 [0,0,0,0,0,2|2,0,0]=4 2015 B17R2.8341 O=C(CCn1cccn1)Nc2ccccc2 527a_100000106764_100000242649 [0,0,0,0,0,2|2,0,0]=4 2016 B17R2.8341 O=C(CCn1ccnn1)Nc2ccccc2 11a_100000106764_100000741450 [0,0,0,0,0,2|1,0,1]=4 2017 B17R2.8341 O=C(CCn1ccnn1)Nc2ccccc2 1626a_100000106764_100000741450 [0,0,0,0,0,2|1,0,1]=4 2018 B17R2.8341 O=C(CCn1ccnn1)Nc2ccccc2 22a_100000106764_100000741450 [0,0,0,0,0,2|1,0,1]=4 2019 B17R2.8341 O=C(CCn1ccnn1)Nc2ccccc2 527a_100000106764_100000741450 [0,0,0,0,0,2|1,0,1]=4 2020 B17R2.8341 O=C(CNc1nncs1)Nc2ccccc2 27a_100000742222_100000739804 [0,0,0,0,0,2|1,0,1]=4 2021 B17R2.8341 O=C(COc1ccsc1)Nc2ccccc2 34a_100000106738_100000182850 [0,0,0,0,0,2|2,0,0]=4 2022 B17R2.8341 O=C(COc1ccsc1)Nc2ccccc2 7a_100000106738_100000182850 [0,0,0,0,0,2|2,0,0]=4 2023 B17R2.8341 O=C(CSc1c[nH]cn1)Nc2ccccc2 62a_100000756875_100000182850 [0,0,0,0,0,2|2,0,0]=4 2024 B17R2.8341 O=C(CSc1c[nH]cn1)Nc2ccccc2 62a_100012148978_100000756875 [0,0,0,0,0,2|2,0,0]=4 2025 B17R2.8341 O=C(CSc1c[nH]nn1)Nc2ccccc2 62a_100009819707_100000182850 [0,0,0,0,0,2|1,0,1]=4 2026 B17R2.8341 O=C(CSc1c[nH]nn1)Nc2ccccc2 62a_100012148978_100009819707 [0,0,0,0,0,2|1,0,1]=4 2027 B17R2.8341 O=C(CSc1cc[nH]n1)Cc2ccccc2 62a_100000062575_100000233483 [0,0,0,0,0,2|1,0,0]=3 2028 B17R2.8341 O=C(CSc1cc[nH]n1)Cc2ccccc2 62a_100000233483_100000062575 [0,0,0,0,0,2|1,0,0]=3 2029 B17R2.8341 O=C(CSc1cc[nH]n1)Nc2ccccc2 62a_100000062575_100000182850 [0,0,0,0,0,2|0,0,0]=2 2030 B17R2.8341 O=C(CSc1cc[nH]n1)Nc2ccccc2 62a_100012148978_100000062575 [0,0,0,0,0,2|0,0,0]=2 2031 B17R2.8341 O=C(CSc1cc[nH]n1)Nc2ccccn2 62a_100000062575_100020662008 [0,0,0,0,0,2|1,0,0]=3 2032 B17R2.8341 O=C(CSc1cc[nH]n1)Nc2ccccn2 62a_100020662008_100000062575 [0,0,0,0,0,2|1,0,0]=3 2033 B17R2.8341 O=C(CSc1cc[nH]n1)Nc2ccncc2 62a_100000062575_100000754145 [0,0,0,0,0,2|1,0,0]=3 2034 B17R2.8341 O=C(CSc1cc[nH]n1)Nc2ncccn2 62a_100000062575_100000183248 [0,0,0,0,0,2|2,0,0]=4 2035 B17R2.8341 O=C(CSc1cc[nH]n1)Nc2ncccn2 62a_100000183248_100000062575 [0,0,0,0,0,2|2,0,0]=4 2036 B17R2.8341 O=C(CSc1cc[nH]n1)Oc2ccccc2 62a_100000062575_100009813826 [0,0,0,0,0,2|1,0,0]=3 2037 B17R2.8341 O=C(CSc1cc[nH]n1)Oc2ccccc2 62a_100009813826_100000062575 [0,0,0,0,0,2|1,0,0]=3 2038 B17R2.8341 O=C(CSc1ccco1)Nc2ccccc2 62a_100009814098_100000182850 [0,0,0,0,0,2|2,0,0]=4 2039 B17R2.8341 O=C(CSc1ccco1)Nc2ccccc2 62a_100012148978_100009814098 [0,0,0,0,0,2|2,0,0]=4 2040 B17R2.8341 O=C(CSc1cccs1)Nc2ccccc2 62a_100011215356_100000182850 [0,0,0,0,0,2|2,0,0]=4 2041 B17R2.8341 O=C(CSc1cccs1)Nc2ccccc2 62a_100012148978_100011215356 [0,0,0,0,0,2|2,0,0]=4 2042 B17R2.8341 O=C(CSc1ccoc1)Nc2ccccc2 62a_100011215275_100000182850 [0,0,0,0,0,2|2,0,0]=4 2043 B17R2.8341 O=C(CSc1ccoc1)Nc2ccccc2 62a_100012148978_100011215275 [0,0,0,0,0,2|2,0,0]=4 2044 B17R2.8341 O=C(CSc1ccon1)Cc2ccccc2 62a_100000233483_100009818083 [0,0,0,0,0,2|2,0,0]=4 2045 B17R2.8341 O=C(CSc1ccon1)Cc2ccccc2 62a_100009818083_100000233483 [0,0,0,0,0,2|2,0,0]=4 2046 B17R2.8341 O=C(CSc1ccon1)Nc2ccccc2 62a_100009818083_100000182850 [0,0,0,0,0,2|1,0,0]=3 2047 B17R2.8341 O=C(CSc1ccon1)Nc2ccccc2 62a_100012148978_100009818083 [0,0,0,0,0,2|1,0,0]=3 2048 B17R2.8341 O=C(CSc1ccon1)Nc2ccccn2 62a_100009818083_100020662008 [0,0,0,0,0,2|2,0,0]=4 2049 B17R2.8341 O=C(CSc1ccon1)Nc2ccccn2 62a_100020662008_100009818083 [0,0,0,0,0,2|2,0,0]=4 2050 B17R2.8341 O=C(CSc1ccon1)Nc2ccncc2 62a_100009818083_100000754145 [0,0,0,0,0,2|2,0,0]=4 2051 B17R2.8341 O=C(CSc1ccon1)Oc2ccccc2 62a_100009813826_100009818083 [0,0,0,0,0,2|2,0,0]=4 2052 B17R2.8341 O=C(CSc1ccon1)Oc2ccccc2 62a_100009818083_100009813826 [0,0,0,0,0,2|2,0,0]=4 2053 B17R2.8341 O=C(CSc1ccsc1)Nc2ccccc2 62a_100000738268_100000182850 [0,0,0,0,0,2|2,0,0]=4 2054 B17R2.8341 O=C(CSc1ccsc1)Nc2ccccc2 62a_100012148978_100000738268 [0,0,0,0,0,2|2,0,0]=4 2055 B17R2.8341 O=C(CSc1ccsn1)Cc2ccccc2 62a_100000233483_100009818082 [0,0,0,0,0,2|2,0,0]=4 2056 B17R2.8341 O=C(CSc1ccsn1)Cc2ccccc2 62a_100009818082_100000233483 [0,0,0,0,0,2|2,0,0]=4 2057 B17R2.8341 O=C(CSc1ccsn1)Nc2ccccc2 62a_100009818082_100000182850 [0,0,0,0,0,2|1,0,0]=3 2058 B17R2.8341 O=C(CSc1ccsn1)Nc2ccccc2 62a_100012148978_100009818082 [0,0,0,0,0,2|1,0,0]=3 2059 B17R2.8341 O=C(CSc1ccsn1)Nc2ccccn2 62a_100009818082_100020662008 [0,0,0,0,0,2|2,0,0]=4 2060 B17R2.8341 O=C(CSc1ccsn1)Nc2ccccn2 62a_100020662008_100009818082 [0,0,0,0,0,2|2,0,0]=4 2061 B17R2.8341 O=C(CSc1ccsn1)Nc2ccncc2 62a_100009818082_100000754145 [0,0,0,0,0,2|2,0,0]=4 2062 B17R2.8341 O=C(CSc1ccsn1)Oc2ccccc2 62a_100009813826_100009818082 [0,0,0,0,0,2|2,0,0]=4 2063 B17R2.8341 O=C(CSc1ccsn1)Oc2ccccc2 62a_100009818082_100009813826 [0,0,0,0,0,2|2,0,0]=4 2064 B17R2.8341 O=C(CSc1cn[nH]c1)Nc2ccccc2 62a_100000238712_100000182850 [0,0,0,0,0,2|2,0,0]=4 2065 B17R2.8341 O=C(CSc1cn[nH]c1)Nc2ccccc2 62a_100012148978_100000238712 [0,0,0,0,0,2|2,0,0]=4 2066 B17R2.8341 O=C(CSc1cscn1)Nc2ccccc2 62a_100000751502_100000182850 [0,0,0,0,0,2|2,0,0]=4 2067 B17R2.8341 O=C(CSc1cscn1)Nc2ccccc2 62a_100012148978_100000751502 [0,0,0,0,0,2|2,0,0]=4 2068 B17R2.8341 O=C(CSc1nc[nH]n1)Cc2ccccc2 62a_100000233483_100000761765 [0,0,0,0,0,2|2,0,0]=4 2069 B17R2.8341 O=C(CSc1nc[nH]n1)Cc2ccccc2 62a_100000761765_100000233483 [0,0,0,0,0,2|2,0,0]=4 2070 B17R2.8341 O=C(CSc1nc[nH]n1)Nc2ccccc2 62a_100000761765_100000182850 [0,0,0,0,0,2|1,0,0]=3 2071 B17R2.8341 O=C(CSc1nc[nH]n1)Nc2ccccc2 62a_100012148978_100000761765 [0,0,0,0,0,2|1,0,0]=3 2072 B17R2.8341 O=C(CSc1nc[nH]n1)Nc2ccccn2 62a_100000761765_100020662008 [0,0,0,0,0,2|2,0,0]=4 2073 B17R2.8341 O=C(CSc1nc[nH]n1)Nc2ccccn2 62a_100020662008_100000761765 [0,0,0,0,0,2|2,0,0]=4 2074 B17R2.8341 O=C(CSc1nc[nH]n1)Nc2ccncc2 62a_100000761765_100000754145 [0,0,0,0,0,2|2,0,0]=4 2075 B17R2.8341 O=C(CSc1nc[nH]n1)Oc2ccccc2 62a_100000761765_100009813826 [0,0,0,0,0,2|2,0,0]=4 2076 B17R2.8341 O=C(CSc1nc[nH]n1)Oc2ccccc2 62a_100009813826_100000761765 [0,0,0,0,0,2|2,0,0]=4 2077 B17R2.8341 O=C(CSc1ncc[nH]1)Nc2ccccc2 62a_100012148978_100025796157 [0,0,0,0,0,2|2,0,0]=4 2078 B17R2.8341 O=C(CSc1ncc[nH]1)Nc2ccccc2 62a_100025796157_100000182850 [0,0,0,0,0,2|2,0,0]=4 2079 B17R2.8341 O=C(CSc1ncco1)Nc2ccccc2 62a_100011787736_100000182850 [0,0,0,0,0,2|2,0,0]=4 2080 B17R2.8341 O=C(CSc1ncco1)Nc2ccccc2 62a_100012148978_100011787736 [0,0,0,0,0,2|2,0,0]=4 2081 B17R2.8341 O=C(CSc1nccs1)Nc2ccccc2 11a_100000106764_100000739254 [0,0,0,0,0,2|2,0,0]=4 2082 B17R2.8341 O=C(CSc1nccs1)Nc2ccccc2 1626a_100000106764_100000739254 [0,0,0,0,0,2|2,0,0]=4 2083 B17R2.8341 O=C(CSc1nccs1)Nc2ccccc2 22a_100000106764_100000739254 [0,0,0,0,0,2|2,0,0]=4 2084 B17R2.8341 O=C(CSc1nccs1)Nc2ccccc2 62a_100000211983_100000182850 [0,0,0,0,0,2|2,0,0]=4 2085 B17R2.8341 O=C(CSc1nccs1)Nc2ccccc2 62a_100012148978_100000211983 [0,0,0,0,0,2|2,0,0]=4 2086 B17R2.8341 O=C(CSc1nncs1)Nc2ccccc2 62a_100000739804_100000182850 [0,0,0,0,0,2|1,0,1]=4 2087 B17R2.8341 O=C(CSc1nncs1)Nc2ccccc2 62a_100012148978_100000739804 [0,0,0,0,0,2|1,0,1]=4 2088 B17R2.8341 O=C(C[n+]1ccccc1)NCc2cc[nH]n2 11a_100000739516_200000086051 [0,0,0,0,0,2|2,0,0]=4 2089 B17R2.8341 O=C(C[n+]1ccccc1)NCc2cc[nH]n2 240690a_100000739516_200000086051 [0,0,0,0,0,2|2,0,0]=4 2090 B17R2.8341 O=C(C[n+]1ccccc1)NCc2cc[nH]n2 527a_100000739516_200000086051 [0,0,0,0,0,2|2,0,0]=4 2091 B17R2.8341 O=C(Cc1ccccn1)NCc2cc[nH]n2 11a_100000739516_100000233486 [0,0,0,0,0,2|2,0,0]=4 2092 B17R2.8341 O=C(Cc1cccnc1)NCc2cc[nH]n2 11a_100000739516_100000737805 [0,0,0,0,0,2|2,0,0]=4 2093 B17R2.8341 O=C(Cc1cccnc1)NCc2cc[nH]n2 240690a_100000739516_100000737805 [0,0,0,0,0,2|2,0,0]=4 2094 B17R2.8341 O=C(Cc1cccnc1)NCc2cc[nH]n2 527a_100000739516_100000737805 [0,0,0,0,0,2|2,0,0]=4 2095 B17R2.8341 O=C(Cc1ccncc1)NCc2cc[nH]n2 11a_100000739516_100011201483 [0,0,0,0,0,2|2,0,0]=4 2096 B17R2.8341 O=C(Cc1ccncc1)NCc2cc[nH]n2 240690a_100000739516_100011201483 [0,0,0,0,0,2|2,0,0]=4 2097 B17R2.8341 O=C(NCc1c[nH]cn1)Nc2ccccc2 2430a_100000106764_100000758547 [0,0,0,0,0,2|2,0,0]=4 2098 B17R2.8341 O=C(NCc1c[nH]nn1)Nc2ccccc2 2430a_100000106764_100020620823 [0,0,0,0,0,2|1,0,1]=4 2099 B17R2.8341 O=C(NCc1cc[nH]n1)Nc2ccccc2 2430a_100000106764_100000739516 [0,0,0,0,0,2|0,0,0]=2 2100 B17R2.8341 O=C(NCc1ccc[nH]1)Nc2ccccc2 2430a_100000106764_100000764082 [0,0,0,0,0,2|1,0,1]=4 2101 B17R2.8341 O=C(NCc1ccco1)Nc2ccccc2 2430a_100000106764_100000185738 [0,0,0,0,0,2|2,0,0]=4 2102 B17R2.8341 O=C(NCc1cccs1)Nc2ccccc2 2430a_100000106764_100000211653 [0,0,0,0,0,2|2,0,0]=4 2103 B17R2.8341 O=C(NCc1ccoc1)Nc2ccccc2 2430a_100000106764_100015206860 [0,0,0,0,0,2|2,0,0]=4 2104 B17R2.8341 O=C(NCc1ccon1)Nc2ccccc2 2430a_100000106764_100000688301 [0,0,0,0,0,2|1,0,0]=3 2105 B17R2.8341 O=C(NCc1ccsc1)Nc2ccccc2 2430a_100000106764_100000186416 [0,0,0,0,0,2|2,0,0]=4 2106 B17R2.8341 O=C(NCc1cn[nH]c1)Nc2ccccc2 2430a_100000106764_100000737208 [0,0,0,0,0,2|2,0,0]=4 2107 B17R2.8341 O=C(NCc1cocn1)Nc2ccccc2 2430a_100000106764_100015188801 [0,0,0,0,0,2|2,0,0]=4 2108 B17R2.8341 O=C(NCc1ncc[nH]1)Nc2ccccc2 2430a_100000106764_100000754540 [0,0,0,0,0,2|2,0,0]=4 2109 B17R2.8341 O=C(NCc1ncco1)Nc2ccccc2 2430a_100000106764_100016994969 [0,0,0,0,0,2|2,0,0]=4 2110 B17R2.8341 O=C(NCc1nccs1)Nc2ccccc2 2430a_100000106764_100000740555 [0,0,0,0,0,2|2,0,0]=4 2111 B17R2.8341 O=C(NCc1nnc[nH]1)Nc2ccccc2 2430a_100000106764_200015183720 [0,0,0,0,0,2|1,0,1]=4 2112 B17R2.8343 O=C(C#Cc1ccccc1)Cc2ccon2 1458a_100000736102_100000234950 [0,0,0,0,0,2|2,0,0]=4 2113 B17R2.8343 O=C(C=Cc1ccccc1)Cc2ccon2 1458a_100000210462_100000234950 [0,0,0,0,0,2|2,0,0]=4 2114 B17R2.8343 O=C(CCc1ccccc1)Cc2ccon2 1458a_100000185753_100000234950 [0,0,0,0,0,2|2,0,0]=4 2115 B17R2.8343 O=C(COc1ccccc1)Cc2ccon2 1458a_100000186222_100000234950 [0,0,0,0,0,2|2,0,0]=4 2116 B17R2.8343 O=C(COc1ccccc1)Nc2ccon2 7a_100000210340_100000239699 [0,0,0,0,0,2|2,0,0]=4 2117 B17R2.8343 O=C(CSc1ccccc1)Cc2ccon2 1458a_100000211596_100000234950 [0,0,0,0,0,2|2,0,0]=4 2118 B17R2.8343 O=C(CSc1ccccc1)Nc2ccon2 62a_100000239699_100000041952 [0,0,0,0,0,2|2,0,0]=4 2119 B17R2.8343 O=C(CSc1ccccc1)Nc2ccon2 62a_100000719477_100000239699 [0,0,0,0,0,2|2,0,0]=4 2120 B17R2.8343 O=C(Cc1c[nH]cn1)NCc2ccccc2 240690a_100015324214_100015291406 [0,0,0,0,0,2|2,0,0]=4 2121 B17R2.8343 O=C(Cc1c[nH]cn1)NNc2ccccc2 22a_100015195140_100015291406 [0,0,0,0,0,2|2,0,0]=4 2122 B17R2.8343 O=C(Cc1ccc[nH]1)NCc2ccccc2 11a_100015324214_100000238377 [0,0,0,0,0,2|1,0,1]=4 2123 B17R2.8343 O=C(Cc1ccc[nH]1)NCc2ccccc2 240690a_100015324214_100000238377 [0,0,0,0,0,2|1,0,1]=4 2124 B17R2.8343 O=C(Cc1ccc[nH]1)NCc2ccccc2 527a_100015324214_100000238377 [0,0,0,0,0,2|1,0,1]=4 2125 B17R2.8343 O=C(Cc1ccc[nH]1)NNc2ccccc2 22a_100015195140_100000238377 [0,0,0,0,0,2|1,0,1]=4 2126 B17R2.8343 O=C(Cc1ccco1)NCc2ccccc2 11a_100015324214_100011217309 [0,0,0,0,0,2|2,0,0]=4 2127 B17R2.8343 O=C(Cc1ccco1)NCc2ccccc2 527a_100015324214_100011217309 [0,0,0,0,0,2|2,0,0]=4 2128 B17R2.8343 O=C(Cc1ccco1)NNc2ccccc2 22a_100015195140_100011217309 [0,0,0,0,0,2|2,0,0]=4 2129 B17R2.8343 O=C(Cc1cccs1)NCc2ccccc2 11a_100015324214_100000210189 [0,0,0,0,0,2|2,0,0]=4 2130 B17R2.8343 O=C(Cc1cccs1)NCc2ccccc2 1626a_100015324214_100000210189 [0,0,0,0,0,2|2,0,0]=4 2131 B17R2.8343 O=C(Cc1cccs1)NCc2ccccc2 240690a_100015324214_100000210189 [0,0,0,0,0,2|2,0,0]=4 2132 B17R2.8343 O=C(Cc1cccs1)NNc2ccccc2 22a_100015195140_100000210189 [0,0,0,0,0,2|2,0,0]=4 2133 B17R2.8343 O=C(Cc1ccn[nH]1)NCc2ccccc2 11a_100015324214_100000752941 [0,0,0,0,0,2|0,0,2]=4 2134 B17R2.8343 O=C(Cc1ccn[nH]1)NCc2ccccc2 1626a_100015324214_100000752941 [0,0,0,0,0,2|0,0,2]=4 2135 B17R2.8343 O=C(Cc1ccn[nH]1)NCc2ccccc2 240690a_100015324214_100000752941 [0,0,0,0,0,2|0,0,2]=4 2136 B17R2.8343 O=C(Cc1ccn[nH]1)NCc2ccccc2 527a_100015324214_100000752941 [0,0,0,0,0,2|0,0,2]=4 2137 B17R2.8343 O=C(Cc1ccn[nH]1)NNc2ccccc2 22a_100015195140_100000752941 [0,0,0,0,0,2|0,0,2]=4 2138 B17R2.8343 O=C(Cc1ccoc1)NCc2ccccc2 11a_100015324214_100000684892 [0,0,0,0,0,2|2,0,0]=4 2139 B17R2.8343 O=C(Cc1ccoc1)NCc2ccccc2 1626a_100015324214_100000684892 [0,0,0,0,0,2|2,0,0]=4 2140 B17R2.8343 O=C(Cc1ccoc1)NCc2ccccc2 240690a_100015324214_100000684892 [0,0,0,0,0,2|2,0,0]=4 2141 B17R2.8343 O=C(Cc1ccoc1)NCc2ccccc2 527a_100015324214_100000684892 [0,0,0,0,0,2|2,0,0]=4 2142 B17R2.8343 O=C(Cc1ccoc1)NNc2ccccc2 22a_100015195140_100000684892 [0,0,0,0,0,2|2,0,0]=4 2143 B17R2.8343 O=C(Cc1ccsc1)NCc2ccccc2 11a_100015324214_100000184062 [0,0,0,0,0,2|2,0,0]=4 2144 B17R2.8343 O=C(Cc1ccsc1)NCc2ccccc2 1626a_100015324214_100000184062 [0,0,0,0,0,2|2,0,0]=4 2145 B17R2.8343 O=C(Cc1ccsc1)NCc2ccccc2 240690a_100015324214_100000184062 [0,0,0,0,0,2|2,0,0]=4 2146 B17R2.8343 O=C(Cc1ccsc1)NCc2ccccc2 527a_100015324214_100000184062 [0,0,0,0,0,2|2,0,0]=4 2147 B17R2.8343 O=C(Cc1ccsc1)NNc2ccccc2 22a_100015195140_100000184062 [0,0,0,0,0,2|2,0,0]=4 2148 B17R2.8343 O=C(Cc1cscn1)NCc2ccccc2 11a_100015324214_100011438297 [0,0,0,0,0,2|2,0,0]=4 2149 B17R2.8343 O=C(Cc1cscn1)NCc2ccccc2 1626a_100015324214_100011438297 [0,0,0,0,0,2|2,0,0]=4 2150 B17R2.8343 O=C(Cc1cscn1)NCc2ccccc2 240690a_100015324214_100011438297 [0,0,0,0,0,2|2,0,0]=4 2151 B17R2.8343 O=C(Cc1cscn1)NCc2ccccc2 527a_100015324214_100011438297 [0,0,0,0,0,2|2,0,0]=4 2152 B17R2.8343 O=C(Cc1cscn1)NNc2ccccc2 22a_100015195140_100011438297 [0,0,0,0,0,2|2,0,0]=4 2153 B17R2.8343 O=C(Cn1cccn1)NCc2ccccc2 11a_100015324214_100000233772 [0,0,0,0,0,2|2,0,0]=4 2154 B17R2.8343 O=C(Cn1cccn1)NCc2ccccc2 1626a_100015324214_100000233772 [0,0,0,0,0,2|2,0,0]=4 2155 B17R2.8343 O=C(Cn1cccn1)NCc2ccccc2 240690a_100015324214_100000233772 [0,0,0,0,0,2|2,0,0]=4 2156 B17R2.8343 O=C(Cn1cccn1)NCc2ccccc2 527a_100015324214_100000233772 [0,0,0,0,0,2|2,0,0]=4 2157 B17R2.8343 O=C(Cn1cccn1)NNc2ccccc2 22a_100015195140_100000233772 [0,0,0,0,0,2|2,0,0]=4 2158 B17R2.8343 O=C(Cn1ccnn1)NCc2ccccc2 11a_100015324214_100000080816 [0,0,0,0,0,2|1,0,1]=4 2159 B17R2.8343 O=C(Cn1ccnn1)NCc2ccccc2 1626a_100015324214_100000080816 [0,0,0,0,0,2|1,0,1]=4 2160 B17R2.8343 O=C(Cn1ccnn1)NCc2ccccc2 240690a_100015324214_100000080816 [0,0,0,0,0,2|1,0,1]=4 2161 B17R2.8343 O=C(Cn1ccnn1)NNc2ccccc2 22a_100015195140_100000080816 [0,0,0,0,0,2|1,0,1]=4 2162 B17R2.8343 O=C(NCc1ccccc1)NC2C=CN=N2 2708a_100015324214_100134613517 [0,0,0,0,0,2|0,0,2]=4 2163 B17R2.8343 O=C(NCc1ccccc1)NC2C=CN=N2 273464a_100015324214_100134613517 [0,0,0,0,0,2|0,0,2]=4 2164 B17R2.8343 O=C(NCc1ccccc1)NC2C=CN=N2 273464a_100134613517_100015324214 [0,0,0,0,0,2|0,0,2]=4 2165 B17R2.8343 O=C(NCc1ccccc1)NC2C=CN=N2 512a_100015324214_100134613517 [0,0,0,0,0,2|0,0,2]=4 2166 B17R2.8343 O=C(NNc1ccccc1)NC2C=CN=N2 273464a_100134613517_100015195140 [0,0,0,0,0,2|0,0,2]=4 2167 B17R2.5714 CC(=NNCc1ccccc1)c2cc[nH]c2 4a_100000007032_100000753940 [0,0,0,0,0,2|2,0,0]=4 2168 B17R2.5714 O=C(CNCc1ccccc1)c2cccs2 2230a_100015324214_100000211436 [0,0,0,0,0,2|2,0,0]=4 2169 B17R2.5714 O=C(CNCc1ccccc1)c2ccsc2 2230a_100015324214_100011219462 [0,0,0,0,0,2|2,0,0]=4 2170 B17R2.5714 O=C(CNCc1ccccc1)c2ccsc2 34a_100015324214_100011219462 [0,0,0,0,0,2|2,0,0]=4 2171 B17R2.5714 O=C(CNCc1ccccc1)n2cccn2 2230a_100015324214_100000077511 [0,0,0,0,0,2|2,0,0]=4 2172 B17R2.5714 O=C(NN=Cc1ccccc1)c2cc[nH]n2 4a_100011273208_100015611070 [0,0,0,0,0,2|0,0,0]=2 2173 B17R2.5714 O=C(NN=Cc1ccccc1)c2ccc[nH]2 4a_100000018271_100015611070 [0,0,0,0,0,2|1,0,1]=4 2174 B17R2.5714 O=C(NN=Cc1ccccc1)c2ccco2 4a_100000185077_100015611070 [0,0,0,0,0,2|2,0,0]=4 2175 B17R2.5714 O=C(NN=Cc1ccccc1)c2cccs2 4a_100000184746_100015611070 [0,0,0,0,0,2|2,0,0]=4 2176 B17R2.5714 O=C(NN=Cc1ccccc1)c2ccoc2 4a_100000233958_100015611070 [0,0,0,0,0,2|2,0,0]=4 2177 B17R2.5714 O=C(NN=Cc1ccccc1)c2ccsc2 4a_100000193922_100015611070 [0,0,0,0,0,2|2,0,0]=4 2178 B17R2.5714 O=C(NN=Cc1ccccc1)c2cn[nH]c2 4a_100011317056_100015611070 [0,0,0,0,0,2|2,0,0]=4 2179 B17R2.5714 O=C(NN=Cc1ccccc1)c2cocn2 4a_100000084333_100015611070 [0,0,0,0,0,2|2,0,0]=4 2180 B17R2.5714 O=C(NN=Cc1ccccc1)c2cscn2 4a_100011794543_100015611070 [0,0,0,0,0,2|2,0,0]=4 2181 B17R2.5714 O=C(NN=Cc1ccccc1)c2nccs2 4a_100000077877_100015611070 [0,0,0,0,0,2|2,0,0]=4 2182 B17R2.5714 O=C(NN=Cc1ccccc1)c2nnc[nH]2 4a_100011787719_100015611070 [0,0,0,0,0,2|1,0,1]=4 2183 B17R2.5714 O=C(NN=Cc1ccccn1)c2cc[nH]n2 4a_100011273208_100000209966 [0,0,0,0,0,2|1,0,0]=3 2184 B17R2.5714 O=C(NN=Cc1cccnc1)c2cc[nH]n2 4a_100011273208_100000209961 [0,0,0,0,0,2|1,0,0]=3 2185 B17R2.5714 O=C(NN=Cc1ccncc1)c2cc[nH]n2 4a_100011273208_100000186114 [0,0,0,0,0,2|1,0,0]=3 2186 B17R2.5714 O=C(NN=Cc1ccncn1)c2cc[nH]n2 4a_100011273208_100011744739 [0,0,0,0,0,2|2,0,0]=4 2187 B17R2.5714 O=C(NN=Cc1ccnnc1)c2cc[nH]n2 4a_100011273208_100011934578 [0,0,0,0,0,2|2,0,0]=4 2188 B17R2.5714 O=C(NN=Cc1cnccn1)c2cc[nH]n2 4a_100011273208_100000749867 [0,0,0,0,0,2|2,0,0]=4 2189 B17R2.5714 O=C(NN=Cc1cncnc1)c2cc[nH]n2 4a_100011273208_100000749868 [0,0,0,0,0,2|2,0,0]=4 2190 B17R2.5714 O=C(NN=Cc1ncccn1)c2cc[nH]n2 4a_100011273208_100011532527 [0,0,0,0,0,2|2,0,0]=4