0 B15R2.2194 c1ccn(c1)CCSCc2ncco2 62a_103436540062_200000035178 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.2194 c1ccn(c1)CCSCc2ncco2 62a_200009811947_103436540062 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.2194 c1cnn(c1)CCSCc2ncco2 62a_100015204718_103436540062 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.2194 c1cnn(c1)CCSCc2ncco2 62a_103436540062_100000685285 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.2194 c1coc(c1)CCNCc2c[nH]cn2 2230a_100000694680_100000707719 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.2194 c1coc(c1)CCNCc2c[nH]cn2 34a_100000694680_100000707719 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.2194 c1coc(c1)CCNCc2cc[nH]n2 207a_100000694680_100000738523 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.2194 c1coc(c1)CCNCc2cc[nH]n2 270004a_100000694680_100000738523 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.2194 c1coc(c1)CCNCc2ccco2 207a_100000694680_100000186105 [0,0,0,0,0,0|2,0,0]=2 9 B15R2.2194 c1coc(c1)CCNCc2ccco2 270004a_100000694680_100000186105 [0,0,0,0,0,0|2,0,0]=2 10 B15R2.2194 c1coc(c1)CCNCc2cccs2 207a_100000694680_100000209959 [0,0,0,0,0,0|2,1,0]=3 11 B15R2.2194 c1coc(c1)CCNCc2cccs2 270004a_100000694680_100000209959 [0,0,0,0,0,0|2,1,0]=3 12 B15R2.2194 c1coc(c1)CCNCc2ccn[nH]2 2230a_100000694680_100000728653 [0,0,0,0,0,0|4,0,0]=4 13 B15R2.2194 c1coc(c1)CCNCc2ccn[nH]2 34a_100000694680_100000728653 [0,0,0,0,0,0|4,0,0]=4 14 B15R2.2194 c1coc(c1)CCNCc2ccoc2 207a_100000694680_100011215517 [0,0,0,0,0,0|4,0,0]=4 15 B15R2.2194 c1coc(c1)CCNCc2ccoc2 270004a_100000694680_100011215517 [0,0,0,0,0,0|4,0,0]=4 16 B15R2.2194 c1coc(c1)CCNCc2ccon2 2230a_100000694680_100000234950 [0,0,0,0,0,0|4,0,0]=4 17 B15R2.2194 c1coc(c1)CCNCc2ccon2 34a_100000694680_100000234950 [0,0,0,0,0,0|4,0,0]=4 18 B15R2.2194 c1coc(c1)CCNCc2ccsc2 207a_100000694680_100000188534 [0,0,0,0,0,0|4,0,0]=4 19 B15R2.2194 c1coc(c1)CCNCc2ccsc2 2230a_100000694680_100011261437 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.2194 c1coc(c1)CCNCc2ccsc2 270004a_100000694680_100000188534 [0,0,0,0,0,0|4,0,0]=4 21 B15R2.2194 c1coc(c1)CCNCc2ccsc2 34a_100000694680_100011261437 [0,0,0,0,0,0|4,0,0]=4 22 B15R2.2194 c1coc(c1)CCNCc2cnc[nH]2 207a_100000694680_100000742939 [0,0,0,0,0,0|4,0,0]=4 23 B15R2.2194 c1coc(c1)CCNCc2cnco2 270004a_100000694680_100000064291 [0,0,0,0,0,0|3,0,0]=3 24 B15R2.2194 c1coc(c1)CCNCc2cncs2 207a_100000694680_100000749870 [0,0,0,0,0,0|3,1,0]=4 25 B15R2.2194 c1coc(c1)CCNCc2cncs2 2230a_100000694680_100015185245 [0,0,0,0,0,0|3,1,0]=4 26 B15R2.2194 c1coc(c1)CCNCc2cncs2 270004a_100000694680_100000749870 [0,0,0,0,0,0|3,1,0]=4 27 B15R2.2194 c1coc(c1)CCNCc2cncs2 34a_100000694680_100015185245 [0,0,0,0,0,0|3,1,0]=4 28 B15R2.2194 c1coc(c1)CCNCc2cocn2 270004a_100000694680_100000050382 [0,0,0,0,0,0|4,0,0]=4 29 B15R2.2194 c1coc(c1)CCNCc2cscn2 207a_100000694680_100000743575 [0,0,0,0,0,0|4,0,0]=4 30 B15R2.2194 c1coc(c1)CCNCc2cscn2 2230a_100000694680_100000205941 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.2194 c1coc(c1)CCNCc2cscn2 270004a_100000694680_100000743575 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.2194 c1coc(c1)CCNCc2cscn2 34a_100000694680_100000205941 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.2194 c1coc(c1)CCNCc2ncc[nH]2 207a_100000694680_100000743867 [0,0,0,0,0,0|4,0,0]=4 34 B15R2.2194 c1coc(c1)CCNCc2ncc[nH]2 2230a_100000694680_100016991755 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.2194 c1coc(c1)CCNCc2ncc[nH]2 34a_100000694680_100016991755 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.2194 c1coc(c1)CCNCc2ncco2 2230a_100000694680_103436540062 [0,0,0,0,0,0|3,0,0]=3 37 B15R2.2194 c1coc(c1)CCNCc2ncco2 270004a_100000694680_100000064290 [0,0,0,0,0,0|3,0,0]=3 38 B15R2.2194 c1coc(c1)CCNCc2ncco2 34a_100000694680_103436540062 [0,0,0,0,0,0|3,0,0]=3 39 B15R2.2194 c1coc(c1)CCNCc2nccs2 207a_100000694680_100000750902 [0,0,0,0,0,0|3,1,0]=4 40 B15R2.2194 c1coc(c1)CCNCc2nccs2 2230a_100000694680_100015184050 [0,0,0,0,0,0|3,1,0]=4 41 B15R2.2194 c1coc(c1)CCNCc2nccs2 270004a_100000694680_100000750902 [0,0,0,0,0,0|3,1,0]=4 42 B15R2.2194 c1coc(c1)CCNCc2nccs2 34a_100000694680_100015184050 [0,0,0,0,0,0|3,1,0]=4 43 B15R2.2194 c1coc(c1)CNCCc2c[nH]cn2 2230a_100000185738_100020628418 [0,0,0,0,0,0|4,0,0]=4 44 B15R2.2194 c1coc(c1)CNCCc2c[nH]cn2 270004a_100000755092_100000186105 [0,0,0,0,0,0|4,0,0]=4 45 B15R2.2194 c1coc(c1)CNCCc2cccs2 207a_100000203755_100000186105 [0,0,0,0,0,0|2,1,0]=3 46 B15R2.2194 c1coc(c1)CNCCc2cccs2 2230a_100000185738_100000748579 [0,0,0,0,0,0|2,1,0]=3 47 B15R2.2194 c1coc(c1)CNCCc2cccs2 270004a_100000203755_100000186105 [0,0,0,0,0,0|2,1,0]=3 48 B15R2.2194 c1coc(c1)CNCCc2cccs2 34a_100000185738_100000748579 [0,0,0,0,0,0|2,1,0]=3 49 B15R2.2194 c1coc(c1)CNCCc2ccsc2 207a_100000692642_100000186105 [0,0,0,0,0,0|4,0,0]=4 50 B15R2.2194 c1coc(c1)CNCCc2ccsc2 270004a_100000692642_100000186105 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.2194 c1coc(c1)CNCCc2cncs2 207a_100016991637_100000186105 [0,0,0,0,0,0|3,1,0]=4 52 B15R2.2194 c1coc(c1)CNCCc2cncs2 270004a_100016991637_100000186105 [0,0,0,0,0,0|3,1,0]=4 53 B15R2.2194 c1coc(c1)CNCCc2ncc[nH]2 207a_100000754300_100000186105 [0,0,0,0,0,0|4,0,0]=4 54 B15R2.2194 c1coc(c1)CNCCc2ncc[nH]2 270004a_100000754300_100000186105 [0,0,0,0,0,0|4,0,0]=4 55 B15R2.2194 c1coc(c1)CNCCc2nccs2 207a_100015186391_100000186105 [0,0,0,0,0,0|3,1,0]=4 56 B15R2.2194 c1coc(c1)CNCCc2nccs2 270004a_100015186391_100000186105 [0,0,0,0,0,0|3,1,0]=4 57 B15R2.2194 c1coc(c1)CNCCn2cccc2 207a_100011368172_100000186105 [0,0,0,0,0,0|4,0,0]=4 58 B15R2.2194 c1coc(c1)CNCCn2cccc2 2230a_100000185738_200009811947 [0,0,0,0,0,0|4,0,0]=4 59 B15R2.2194 c1coc(c1)CNCCn2cccc2 270004a_100011368172_100000186105 [0,0,0,0,0,0|4,0,0]=4 60 B15R2.2194 c1coc(c1)CNCCn2cccn2 207a_100011200920_100000186105 [0,0,0,0,0,0|4,0,0]=4 61 B15R2.2194 c1coc(c1)CNCCn2cccn2 2230a_100000185738_100000685285 [0,0,0,0,0,0|4,0,0]=4 62 B15R2.2194 c1coc(c1)CNCCn2cccn2 270004a_100011200920_100000186105 [0,0,0,0,0,0|4,0,0]=4 63 B15R2.2194 c1coc(c1)CNCCn2cccn2 34a_100000185738_100015204718 [0,0,0,0,0,0|4,0,0]=4 64 B15R2.2194 c1coc(c1)COCCc2cccs2 34a_100000210059_100000748579 [0,0,0,0,0,0|1,2,0]=3 65 B15R2.2194 c1coc(c1)COCCn2cccn2 34a_100000210059_100015204718 [0,0,0,0,0,0|3,1,0]=4 66 B15R2.2194 c1coc(c1)SCCCc2cccs2 62a_100009814098_100010992444 [0,0,0,0,0,0|3,1,0]=4 67 B15R2.2194 c1coc(c1)SCCCc2cccs2 62a_100010992444_100009814098 [0,0,0,0,0,0|3,1,0]=4 68 B15R2.2194 c1coc(n1)CSCCc2c[nH]cn2 62a_100020628418_103436540062 [0,0,0,0,0,0|4,0,0]=4 69 B15R2.2194 c1coc(n1)CSCCc2c[nH]cn2 62a_103436540062_100020628418 [0,0,0,0,0,0|4,0,0]=4 70 B15R2.2194 c1csc(c1)CCNCc2cccs2 207a_100000203755_100000209959 [0,0,0,0,0,0|2,2,0]=4 71 B15R2.2194 c1csc(c1)CCNCc2cccs2 2230a_100000211653_100000748579 [0,0,0,0,0,0|2,2,0]=4 72 B15R2.2194 c1csc(c1)CCNCc2cccs2 270004a_100000203755_100000209959 [0,0,0,0,0,0|2,2,0]=4 73 B15R2.2194 c1csc(c1)CCNCc2cnco2 270004a_100000203755_100000064291 [0,0,0,0,0,0|3,1,0]=4 74 B15R2.2194 c1csc(c1)CCNCc2ncco2 2230a_100000203755_103436540062 [0,0,0,0,0,0|3,1,0]=4 75 B15R2.2194 c1csc(c1)CCNCc2ncco2 2230a_100016994969_100000748579 [0,0,0,0,0,0|3,1,0]=4 76 B15R2.2194 c1csc(c1)CCNCc2ncco2 270004a_100000203755_100000064290 [0,0,0,0,0,0|3,1,0]=4 77 B15R2.2194 c1csc(c1)CCNCc2ncco2 34a_100000203755_103436540062 [0,0,0,0,0,0|3,1,0]=4 78 B15R2.2194 c1csc(c1)CCOCc2cccs2 34a_100000211240_100000748579 [0,0,0,0,0,0|1,3,0]=4 79 B15R2.2194 c1csc(c1)CCOCc2ccno2 34a_100000740478_100000748579 [0,0,0,0,0,0|2,2,0]=4 80 B15R2.2194 c1csc(c1)CCOCc2ncco2 34a_100000062594_100000748579 [0,0,0,0,0,0|2,2,0]=4 81 B15R2.2194 c1csc(c1)CCOCc2ncco2 34a_100011216825_103436540062 [0,0,0,0,0,0|2,2,0]=4 82 B15R2.2194 c1csc(c1)CCOCc2ncco2 7a_100011216825_103436540062 [0,0,0,0,0,0|2,2,0]=4 83 B15R2.2194 c1csc(c1)CCSCc2c[nH]cn2 62a_100000707719_100000748579 [0,0,0,0,0,0|3,1,0]=4 84 B15R2.2194 c1csc(c1)CCSCc2c[nH]cn2 62a_100000748579_100000707719 [0,0,0,0,0,0|3,1,0]=4 85 B15R2.2194 c1csc(c1)CCSCc2ccn[nH]2 62a_100000728653_100000748579 [0,0,0,0,0,0|3,1,0]=4 86 B15R2.2194 c1csc(c1)CCSCc2ccn[nH]2 62a_100000748579_100000728653 [0,0,0,0,0,0|3,1,0]=4 87 B15R2.2194 c1csc(c1)CCSCc2ccon2 62a_100000234950_100000748579 [0,0,0,0,0,0|3,1,0]=4 88 B15R2.2194 c1csc(c1)CCSCc2ccon2 62a_100000748579_100000234950 [0,0,0,0,0,0|3,1,0]=4 89 B15R2.2194 c1csc(c1)CCSCc2ccsc2 62a_100000748579_100011233845 [0,0,0,0,0,0|3,1,0]=4 90 B15R2.2194 c1csc(c1)CCSCc2ccsc2 62a_100011261437_100000748579 [0,0,0,0,0,0|3,1,0]=4 91 B15R2.2194 c1csc(c1)CCSCc2cncs2 62a_100000748579_100015185245 [0,0,0,0,0,0|2,2,0]=4 92 B15R2.2194 c1csc(c1)CCSCc2cncs2 62a_100015185245_100000748579 [0,0,0,0,0,0|2,2,0]=4 93 B15R2.2194 c1csc(c1)CCSCc2cscn2 62a_100000205941_100000748579 [0,0,0,0,0,0|3,1,0]=4 94 B15R2.2194 c1csc(c1)CCSCc2cscn2 62a_100000748579_100000205941 [0,0,0,0,0,0|3,1,0]=4 95 B15R2.2194 c1csc(c1)CCSCc2ncc[nH]2 62a_100000748579_100016991755 [0,0,0,0,0,0|3,1,0]=4 96 B15R2.2194 c1csc(c1)CCSCc2ncc[nH]2 62a_100016991755_100000748579 [0,0,0,0,0,0|3,1,0]=4 97 B15R2.2194 c1csc(c1)CCSCc2ncco2 62a_100000748579_103436540062 [0,0,0,0,0,0|2,1,0]=3 98 B15R2.2194 c1csc(c1)CCSCc2ncco2 62a_103436540062_100000748579 [0,0,0,0,0,0|2,1,0]=3 99 B15R2.2194 c1csc(c1)CCSCc2nccs2 62a_100000748579_100015184050 [0,0,0,0,0,0|2,2,0]=4 100 B15R2.2194 c1csc(c1)CCSCc2nccs2 62a_100015184050_100000748579 [0,0,0,0,0,0|2,2,0]=4 101 B16R2.2842 Brc1c[nH]c(c1)CNCCc2ccco2 270004a_100000694680_100000720742 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.2842 Brc1cc(on1)CNCCc2ccco2 270004a_100000694680_100009819588 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.2842 Brc1cc(on1)CSCCc2cccs2 62a_100000709089_100000748579 [0,1,0,0,0,0|2,1,0]=4 104 B16R2.2842 Brc1cc(on1)CSCCc2cccs2 62a_100000748579_100000709089 [0,1,0,0,0,0|2,1,0]=4 105 B16R2.2842 Brc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000185145 [0,1,0,0,0,0|2,0,0]=3 106 B16R2.2842 Brc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000185145 [0,1,0,0,0,0|2,0,0]=3 107 B16R2.2842 Brc1ccc(o1)CNCCc2cccs2 207a_100000203755_100000185145 [0,1,0,0,0,0|2,1,0]=4 108 B16R2.2842 Brc1ccc(o1)CNCCc2cccs2 270004a_100000203755_100000185145 [0,1,0,0,0,0|2,1,0]=4 109 B16R2.2842 Brc1ccc(o1)CNCCc2cccs2 34a_100000708654_100000748579 [0,1,0,0,0,0|2,1,0]=4 110 B16R2.2842 Brc1ccc(o1)COCCc2cccs2 34a_100000246276_100000748579 [0,1,0,0,0,0|1,2,0]=4 111 B16R2.2842 Brc1ccc(o1)COCCc2cccs2 7a_100000246276_100000748579 [0,1,0,0,0,0|1,2,0]=4 112 B16R2.2842 Brc1ccc(s1)CCNCc2ccco2 207a_100000217605_100000186105 [0,1,0,0,0,0|2,1,0]=4 113 B16R2.2842 Brc1ccc(s1)CCNCc2ccco2 270004a_100000217605_100000186105 [0,1,0,0,0,0|2,1,0]=4 114 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 207a_100000694680_100000179771 [0,1,0,0,0,0|2,1,0]=4 115 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 2230a_100000694680_100000708592 [0,1,0,0,0,0|2,1,0]=4 116 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 270004a_100000694680_100000179771 [0,1,0,0,0,0|2,1,0]=4 117 B16R2.2842 Brc1ccc(s1)CNCCc2ccco2 34a_100000694680_100000708592 [0,1,0,0,0,0|2,1,0]=4 118 B16R2.2842 Brc1coc(c1)CNCCc2ccco2 270004a_100000694680_100000747035 [0,1,0,0,0,0|2,0,0]=3 119 B16R2.2842 Brc1coc(c1)CNCCc2cccs2 270004a_100000203755_100000747035 [0,1,0,0,0,0|2,1,0]=4 120 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 207a_100000694680_100000211722 [0,1,0,0,0,0|2,1,0]=4 121 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 2230a_100000694680_100000746031 [0,1,0,0,0,0|2,1,0]=4 122 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 270004a_100000694680_100000211722 [0,1,0,0,0,0|2,1,0]=4 123 B16R2.2842 Brc1csc(c1)CNCCc2ccco2 34a_100000694680_100000746031 [0,1,0,0,0,0|2,1,0]=4 124 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 207a_100000694680_100011794430 [0,1,0,0,0,0|3,0,0]=4 125 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 2230a_100000694680_100000707947 [0,1,0,0,0,0|3,0,0]=4 126 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 270004a_100000694680_100011794430 [0,1,0,0,0,0|3,0,0]=4 127 B16R2.2842 Cc1cc(on1)CNCCc2ccco2 34a_100000694680_100000707947 [0,1,0,0,0,0|3,0,0]=4 128 B16R2.2842 Cc1cc(on1)CSCCc2cccs2 62a_100000707947_100000748579 [0,1,0,0,0,0|2,1,0]=4 129 B16R2.2842 Cc1cc(on1)CSCCc2cccs2 62a_100000748579_100000707947 [0,1,0,0,0,0|2,1,0]=4 130 B16R2.2842 Cc1ccc(o1)CCNCc2ccco2 207a_100000739271_100000186105 [0,1,0,0,0,0|2,0,0]=3 131 B16R2.2842 Cc1ccc(o1)CCNCc2ccco2 270004a_100000739271_100000186105 [0,1,0,0,0,0|2,0,0]=3 132 B16R2.2842 Cc1ccc(o1)CCNCc2cccs2 207a_100000739271_100000209959 [0,1,0,0,0,0|2,1,0]=4 133 B16R2.2842 Cc1ccc(o1)CCNCc2cccs2 270004a_100000739271_100000209959 [0,1,0,0,0,0|2,1,0]=4 134 B16R2.2842 Cc1ccc(o1)CCNCc2cnco2 270004a_100000739271_100000064291 [0,1,0,0,0,0|3,0,0]=4 135 B16R2.2842 Cc1ccc(o1)CCNCc2ncco2 2230a_100000739271_103436540062 [0,1,0,0,0,0|3,0,0]=4 136 B16R2.2842 Cc1ccc(o1)CCNCc2ncco2 270004a_100000739271_100000064290 [0,1,0,0,0,0|3,0,0]=4 137 B16R2.2842 Cc1ccc(o1)CCNCc2ncco2 34a_100000739271_103436540062 [0,1,0,0,0,0|3,0,0]=4 138 B16R2.2842 Cc1ccc(o1)CCOCc2ncco2 34a_100012161071_103436540062 [0,1,0,0,0,0|2,1,0]=4 139 B16R2.2842 Cc1ccc(o1)CCOCc2ncco2 7a_100012161071_103436540062 [0,1,0,0,0,0|2,1,0]=4 140 B16R2.2842 Cc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000183696 [0,1,0,0,0,0|2,0,0]=3 141 B16R2.2842 Cc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000183696 [0,1,0,0,0,0|2,0,0]=3 142 B16R2.2842 Cc1ccc(o1)CNCCc2cccs2 207a_100000203755_100000183696 [0,1,0,0,0,0|2,1,0]=4 143 B16R2.2842 Cc1ccc(o1)CNCCc2cccs2 270004a_100000203755_100000183696 [0,1,0,0,0,0|2,1,0]=4 144 B16R2.2842 Cc1ccc(o1)CNCCc2cccs2 34a_100011194323_100000748579 [0,1,0,0,0,0|2,1,0]=4 145 B16R2.2842 Cc1ccc(o1)COCCc2cccs2 34a_100011232665_100000748579 [0,1,0,0,0,0|1,2,0]=4 146 B16R2.2842 Cc1ccc(o1)COCCc2cccs2 7a_100011232665_100000748579 [0,1,0,0,0,0|1,2,0]=4 147 B16R2.2842 Cc1ccc(s1)CNCCc2ccco2 207a_100000694680_100000211121 [0,1,0,0,0,0|2,1,0]=4 148 B16R2.2842 Cc1ccc(s1)CNCCc2ccco2 270004a_100000694680_100000211121 [0,1,0,0,0,0|2,1,0]=4 149 B16R2.2842 Cc1csc(c1)CNCCc2ccco2 207a_100000694680_100102525248 [0,1,0,0,0,0|2,1,0]=4 150 B16R2.2842 Cc1csc(c1)CNCCc2ccco2 270004a_100000694680_100102525248 [0,1,0,0,0,0|2,1,0]=4 151 B16R2.2842 Cc1ncc(o1)CNCCc2ccco2 207a_100000694680_100000084308 [0,1,0,0,0,0|3,0,0]=4 152 B16R2.2842 Cc1ncc(o1)CNCCc2ccco2 270004a_100000694680_100000084308 [0,1,0,0,0,0|3,0,0]=4 153 B16R2.2842 Clc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000188459 [0,1,0,0,0,0|2,0,0]=3 154 B16R2.2842 Clc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000188459 [0,1,0,0,0,0|2,0,0]=3 155 B16R2.2842 Clc1ccc(o1)CNCCc2cccs2 207a_100000203755_100000188459 [0,1,0,0,0,0|2,1,0]=4 156 B16R2.2842 Clc1ccc(o1)CNCCc2cccs2 270004a_100000203755_100000188459 [0,1,0,0,0,0|2,1,0]=4 157 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 207a_100000694680_100000242774 [0,1,0,0,0,0|2,1,0]=4 158 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 2230a_100000694680_100000185097 [0,1,0,0,0,0|2,1,0]=4 159 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 270004a_100000694680_100000242774 [0,1,0,0,0,0|2,1,0]=4 160 B16R2.2842 Clc1ccc(s1)CNCCc2ccco2 34a_100000694680_100000185097 [0,1,0,0,0,0|2,1,0]=4 161 B16R2.2842 Clc1ccc(s1)CSCCc2cccs2 62a_100000185097_100000748579 [0,1,0,0,0,0|1,2,0]=4 162 B16R2.2842 Clc1ccc(s1)CSCCc2cccs2 62a_100000748579_100000185097 [0,1,0,0,0,0|1,2,0]=4 163 B16R2.2842 Clc1csc(c1)CNCCc2ccco2 207a_100000694680_100000102487 [0,1,0,0,0,0|2,1,0]=4 164 B16R2.2842 Clc1csc(c1)CNCCc2ccco2 270004a_100000694680_100000102487 [0,1,0,0,0,0|2,1,0]=4 165 B16R2.2842 Ic1ccc(o1)CNCCc2ccco2 207a_100000694680_100000186757 [0,1,0,0,0,0|2,0,0]=3 166 B16R2.2842 Ic1ccc(o1)CNCCc2cccs2 207a_100000203755_100000186757 [0,1,0,0,0,0|2,1,0]=4 167 B16R2.2842 Ic1csc(c1)CNCCc2ccco2 207a_100000694680_100010179861 [0,1,0,0,0,0|2,1,0]=4 168 B16R2.3018 Brc1ccoc1CNCCc2ccco2 270004a_100000694680_100000756499 [0,1,0,0,0,0|2,0,0]=3 169 B16R2.3018 Brc1ccoc1CNCCc2cccs2 270004a_100000203755_100000756499 [0,1,0,0,0,0|2,1,0]=4 170 B16R2.3018 Brc1ccsc1CNCCc2ccco2 207a_100000694680_100000766043 [0,1,0,0,0,0|2,1,0]=4 171 B16R2.3018 Brc1ccsc1CNCCc2ccco2 270004a_100000694680_100000766043 [0,1,0,0,0,0|2,1,0]=4 172 B16R2.3018 Cc1ccoc1CNCCc2ccco2 207a_100000694680_100000763527 [0,1,0,0,0,0|2,0,0]=3 173 B16R2.3018 Cc1ccoc1CNCCc2ccco2 270004a_100000694680_100000763527 [0,1,0,0,0,0|2,0,0]=3 174 B16R2.3018 Cc1ccoc1CNCCc2cccs2 207a_100000203755_100000763527 [0,1,0,0,0,0|2,1,0]=4 175 B16R2.3018 Cc1ccoc1CNCCc2cccs2 270004a_100000203755_100000763527 [0,1,0,0,0,0|2,1,0]=4 176 B16R2.3018 Cc1ccoc1COCCc2cccs2 34a_100011273948_100000748579 [0,1,0,0,0,0|1,2,0]=4 177 B16R2.3018 Cc1ccoc1COCCc2cccs2 7a_100011273948_100000748579 [0,1,0,0,0,0|1,2,0]=4 178 B16R2.3018 Cc1ccsc1CNCCc2ccco2 207a_100000694680_100000210881 [0,1,0,0,0,0|2,1,0]=4 179 B16R2.3018 Cc1ccsc1CNCCc2ccco2 270004a_100000694680_100000210881 [0,1,0,0,0,0|2,1,0]=4 180 B16R2.3018 Clc1ccsc1CNCCc2ccco2 207a_100000694680_100000722334 [0,1,0,0,0,0|2,1,0]=4 181 B16R2.3018 Clc1ccsc1CNCCc2ccco2 270004a_100000694680_100000722334 [0,1,0,0,0,0|2,1,0]=4 182 B16R2.3018 Cn1cccc1CNCCc2ccco2 270004a_100000694680_100000211633 [0,1,0,0,0,0|3,0,0]=4 183 B16R2.5768 CC(Cc1ccco1)NCc2ccco2 270004a_100000185738_100011216958 [0,1,0,0,0,0|2,0,0]=3 184 B16R2.5768 CC(Cc1ccco1)NCc2cccs2 270004a_100000211653_100011216958 [0,1,0,0,0,0|2,1,0]=4 185 B16R2.5768 CC(Cc1ccco1)NCc2cnco2 270004a_100020634212_100011216958 [0,1,0,0,0,0|3,0,0]=4 186 B16R2.5768 CC(Cc1ccco1)OCc2ncco2 34a_100011803939_103436540062 [0,1,0,0,0,0|2,1,0]=4 187 B16R2.5768 CC(Cc1ccco1)OCc2ncco2 7a_100011803939_103436540062 [0,1,0,0,0,0|2,1,0]=4 188 B16R2.5768 CC(Cc1cccs1)NCc2ccco2 207a_100000751415_100000186105 [0,1,0,0,0,0|2,1,0]=4 189 B16R2.5768 CC(Cc1cccs1)NCc2ccco2 270004a_100000751415_100000186105 [0,1,0,0,0,0|2,1,0]=4 190 B16R2.5768 CN(CCc1cccs1)Cc2ccco2 2230a_100000185268_100000748579 [0,1,0,0,0,0|2,1,0]=4 191 B16R2.5768 CN(CCc1cccs1)Cc2ccco2 269982a_100000185268_100000748579 [0,1,0,0,0,0|2,1,0]=4 192 B16R2.5768 O=C(CCc1ccco1)Cc2ncco2 1458a_100000185103_103436540062 [0,1,0,0,0,0|3,0,0]=4 193 B16R2.5768 O=C(CCc1cccs1)Cc2ccco2 1458a_100011217309_100000748579 [0,1,0,0,0,0|2,1,0]=4 194 B16R2.5768 O=C(Cc1ccc[nH]1)NCc2ccco2 11a_100000185738_100000238377 [0,1,0,0,0,0|3,0,0]=4 195 B16R2.5768 O=C(Cc1ccc[nH]1)NCc2ccco2 240690a_100000185738_100000238377 [0,1,0,0,0,0|3,0,0]=4 196 B16R2.5768 O=C(Cc1ccc[nH]1)NCc2ccco2 527a_100000185738_100000238377 [0,1,0,0,0,0|3,0,0]=4 197 B16R2.5768 O=C(Cc1ccco1)NCc2ccc[nH]2 11a_100000764082_100011217309 [0,1,0,0,0,0|3,0,0]=4 198 B16R2.5768 O=C(Cc1ccco1)NCc2ccc[nH]2 527a_100000764082_100011217309 [0,1,0,0,0,0|3,0,0]=4 199 B16R2.5768 O=C(Cc1ccco1)NCc2ccco2 11a_100000185738_100011217309 [0,1,0,0,0,0|2,0,0]=3 200 B16R2.5768 O=C(Cc1ccco1)NCc2ccco2 527a_100000185738_100011217309 [0,1,0,0,0,0|2,0,0]=3 201 B16R2.5768 O=C(Cc1ccco1)NCc2cccs2 11a_100000211653_100011217309 [0,1,0,0,0,0|2,1,0]=4 202 B16R2.5768 O=C(Cc1ccco1)NCc2cccs2 527a_100000211653_100011217309 [0,1,0,0,0,0|2,1,0]=4 203 B16R2.5768 O=C(Cc1ccco1)NCc2cnco2 11a_100020634212_100011217309 [0,1,0,0,0,0|3,0,0]=4 204 B16R2.5768 O=C(Cc1ccco1)NCc2cnco2 527a_100020634212_100011217309 [0,1,0,0,0,0|3,0,0]=4 205 B16R2.5768 O=C(Cc1ccco1)NCc2ncco2 11a_100016994969_100011217309 [0,1,0,0,0,0|3,0,0]=4 206 B16R2.5768 O=C(Cc1ccco1)NCc2ncco2 527a_100016994969_100011217309 [0,1,0,0,0,0|3,0,0]=4 207 B16R2.5768 O=C(Cc1cccs1)NCc2ccco2 11a_100000185738_100000210189 [0,1,0,0,0,0|2,1,0]=4 208 B16R2.5768 O=C(Cc1cccs1)NCc2ccco2 1626a_100000185738_100000210189 [0,1,0,0,0,0|2,1,0]=4 209 B16R2.5768 O=C(Cc1cccs1)NCc2ccco2 240690a_100000185738_100000210189 [0,1,0,0,0,0|2,1,0]=4 210 B16R2.27718 CC(NCCc1ccco1)c2ccc[nH]2 269862a_100000694680_100000183661 [0,1,0,0,0,0|3,0,0]=4 211 B16R2.27718 CC(NCCc1ccco1)c2cccs2 269862a_100000694680_100000185736 [0,1,0,0,0,0|2,1,0]=4 212 B16R2.27718 C[C@@H](NCCc1cccs1)c2ccco2 2230a_100160469435_100000748579 [0,1,0,0,0,0|2,1,0]=4 213 B16R2.27718 C[C@H](OCCc1cccs1)c2ccco2 34a_100000755270_100000748579 [0,1,0,0,0,0|1,2,0]=4 214 B16R2.27718 C[C@H](OCCc1cccs1)c2ccco2 7a_100000755270_100000748579 [0,1,0,0,0,0|1,2,0]=4 215 B16R2.27718 O=C(CSCc1ncco1)c2ccco2 62a_100000211439_103436540062 [0,1,0,0,0,0|2,0,1]=4 216 B16R2.27718 O=C(CSCc1ncco1)c2ccco2 62a_103436540062_100000211439 [0,1,0,0,0,0|2,0,1]=4 217 B16R2.27718 OC(CNCc1ccco1)c2ccco2 207a_100000738650_100000186105 [0,1,0,0,0,0|2,0,0]=3 218 B16R2.27718 OC(CNCc1ccco1)c2ccco2 270004a_100000738650_100000186105 [0,1,0,0,0,0|2,0,0]=3 219 B16R2.27718 OC(CNCc1cccs1)c2ccco2 207a_100000738650_100000209959 [0,1,0,0,0,0|2,1,0]=4 220 B16R2.27718 OC(CNCc1cccs1)c2ccco2 270004a_100000738650_100000209959 [0,1,0,0,0,0|2,1,0]=4 221 B16R2.27718 OC(CNCc1cnco1)c2ccco2 270004a_100000738650_100000064291 [0,1,0,0,0,0|3,0,0]=4 222 B16R2.27718 OC(CNCc1ncco1)c2ccco2 2230a_100000738650_103436540062 [0,1,0,0,0,0|3,0,0]=4 223 B16R2.27718 OC(CNCc1ncco1)c2ccco2 270004a_100000738650_100000064290 [0,1,0,0,0,0|3,0,0]=4 224 B14R1.609 C=COC(=O)CNCCc1ccco1 2230a_100000694680_100000036128 [0,0,1,0,0,0|3,0,0]=4 225 B14R1.609 C=COC(=O)CNCCc1ccco1 34a_100000694680_100000036128 [0,0,1,0,0,0|3,0,0]=4 226 B14R1.609 C=COC(=O)CSCCc1cccs1 62a_100000036128_100000748579 [0,0,1,0,0,0|2,1,0]=4 227 B14R1.609 C=COC(=O)CSCCc1cccs1 62a_100000748579_100000036128 [0,0,1,0,0,0|2,1,0]=4 228 B14R2.322 c1c[nH]c(n1)CSCc2ncco2 62a_100016991755_103436540062 [0,0,0,0,1,0|3,0,0]=4 229 B14R2.322 c1c[nH]c(n1)CSCc2ncco2 62a_103436540062_100016991755 [0,0,0,0,1,0|3,0,0]=4 230 B14R2.322 c1cc([nH]n1)CSCc2ncco2 62a_100000728653_103436540062 [0,0,0,0,1,0|3,0,0]=4 231 B14R2.322 c1cc([nH]n1)CSCc2ncco2 62a_103436540062_100000728653 [0,0,0,0,1,0|3,0,0]=4 232 B14R2.322 c1cc(on1)COCc2ncco2 34a_100000740478_103436540062 [0,0,0,0,1,0|2,1,0]=4 233 B14R2.322 c1coc(c1)CNCc2c[nH]cn2 207a_100000758547_100000186105 [0,0,0,0,1,0|3,0,0]=4 234 B14R2.322 c1coc(c1)CNCc2c[nH]cn2 2230a_100000185738_100000707719 [0,0,0,0,1,0|3,0,0]=4 235 B14R2.322 c1coc(c1)CNCc2c[nH]cn2 34a_100000185738_100000707719 [0,0,0,0,1,0|3,0,0]=4 236 B14R2.322 c1coc(c1)CNCc2cc[nH]n2 207a_100000185738_100000738523 [0,0,0,0,1,0|3,0,0]=4 237 B14R2.322 c1coc(c1)CNCc2cc[nH]n2 207a_100000739516_100000186105 [0,0,0,0,1,0|3,0,0]=4 238 B14R2.322 c1coc(c1)CNCc2cc[nH]n2 270004a_100000185738_100000738523 [0,0,0,0,1,0|3,0,0]=4 239 B14R2.322 c1coc(c1)CNCc2ccco2 207a_100000185738_100000186105 [0,0,0,0,1,0|1,0,0]=2 240 B14R2.322 c1coc(c1)CNCc2ccco2 270004a_100000185738_100000186105 [0,0,0,0,1,0|1,0,0]=2 241 B14R2.322 c1coc(c1)CNCc2cccs2 207a_100000185738_100000209959 [0,0,0,0,1,0|1,1,0]=3 242 B14R2.322 c1coc(c1)CNCc2cccs2 207a_100000211653_100000186105 [0,0,0,0,1,0|1,1,0]=3 243 B14R2.322 c1coc(c1)CNCc2cccs2 270004a_100000185738_100000209959 [0,0,0,0,1,0|1,1,0]=3 244 B14R2.322 c1coc(c1)CNCc2cccs2 270004a_100000211653_100000186105 [0,0,0,0,1,0|1,1,0]=3 245 B14R2.322 c1coc(c1)CNCc2ccn[nH]2 2230a_100000185738_100000728653 [0,0,0,0,1,0|3,0,0]=4 246 B14R2.322 c1coc(c1)CNCc2ccn[nH]2 34a_100000185738_100000728653 [0,0,0,0,1,0|3,0,0]=4 247 B14R2.322 c1coc(c1)CNCc2ccoc2 207a_100000185738_100011215517 [0,0,0,0,1,0|3,0,0]=4 248 B14R2.322 c1coc(c1)CNCc2ccoc2 207a_100015206860_100000186105 [0,0,0,0,1,0|3,0,0]=4 249 B14R2.322 c1coc(c1)CNCc2ccoc2 270004a_100000185738_100011215517 [0,0,0,0,1,0|3,0,0]=4 250 B14R2.322 c1coc(c1)CNCc2ccoc2 270004a_100015206860_100000186105 [0,0,0,0,1,0|3,0,0]=4 251 B14R2.322 c1coc(c1)CNCc2ccon2 207a_100000688301_100000186105 [0,0,0,0,1,0|3,0,0]=4 252 B14R2.322 c1coc(c1)CNCc2ccon2 2230a_100000185738_100000234950 [0,0,0,0,1,0|3,0,0]=4 253 B14R2.322 c1coc(c1)CNCc2ccon2 270004a_100000688301_100000186105 [0,0,0,0,1,0|3,0,0]=4 254 B14R2.322 c1coc(c1)CNCc2ccon2 34a_100000185738_100000234950 [0,0,0,0,1,0|3,0,0]=4 255 B14R2.322 c1coc(c1)CNCc2ccsc2 207a_100000185738_100000188534 [0,0,0,0,1,0|3,0,0]=4 256 B14R2.322 c1coc(c1)CNCc2ccsc2 207a_100000186416_100000186105 [0,0,0,0,1,0|3,0,0]=4 257 B14R2.322 c1coc(c1)CNCc2ccsc2 2230a_100000185738_100011261437 [0,0,0,0,1,0|3,0,0]=4 258 B14R2.322 c1coc(c1)CNCc2ccsc2 270004a_100000185738_100000188534 [0,0,0,0,1,0|3,0,0]=4 259 B14R2.322 c1coc(c1)CNCc2ccsc2 270004a_100000186416_100000186105 [0,0,0,0,1,0|3,0,0]=4 260 B14R2.322 c1coc(c1)CNCc2ccsc2 34a_100000185738_100011261437 [0,0,0,0,1,0|3,0,0]=4 261 B14R2.322 c1coc(c1)CNCc2cnc[nH]2 207a_100000185738_100000742939 [0,0,0,0,1,0|3,0,0]=4 262 B14R2.322 c1coc(c1)CNCc2cnco2 207a_100020634212_100000186105 [0,0,0,0,1,0|2,0,0]=3 263 B14R2.322 c1coc(c1)CNCc2cnco2 270004a_100000185738_100000064291 [0,0,0,0,1,0|2,0,0]=3 264 B14R2.322 c1coc(c1)CNCc2cnco2 270004a_100020634212_100000186105 [0,0,0,0,1,0|2,0,0]=3 265 B14R2.322 c1coc(c1)CNCc2cncs2 207a_100000185738_100000749870 [0,0,0,0,1,0|2,1,0]=4 266 B14R2.322 c1coc(c1)CNCc2cncs2 207a_100016987365_100000186105 [0,0,0,0,1,0|2,1,0]=4 267 B14R2.322 c1coc(c1)CNCc2cncs2 2230a_100000185738_100015185245 [0,0,0,0,1,0|2,1,0]=4 268 B14R2.322 c1coc(c1)CNCc2cncs2 270004a_100000185738_100000749870 [0,0,0,0,1,0|2,1,0]=4 269 B14R2.322 c1coc(c1)CNCc2cncs2 270004a_100016987365_100000186105 [0,0,0,0,1,0|2,1,0]=4 270 B14R2.322 c1coc(c1)CNCc2cncs2 34a_100000185738_100015185245 [0,0,0,0,1,0|2,1,0]=4 271 B14R2.322 c1coc(c1)CNCc2cocn2 207a_100015188801_100000186105 [0,0,0,0,1,0|3,0,0]=4 272 B14R2.322 c1coc(c1)CNCc2cocn2 270004a_100000185738_100000050382 [0,0,0,0,1,0|3,0,0]=4 273 B14R2.322 c1coc(c1)CNCc2cocn2 270004a_100015188801_100000186105 [0,0,0,0,1,0|3,0,0]=4 274 B14R2.322 c1coc(c1)CNCc2cscn2 207a_100000185738_100000743575 [0,0,0,0,1,0|3,0,0]=4 275 B14R2.322 c1coc(c1)CNCc2cscn2 207a_100015185402_100000186105 [0,0,0,0,1,0|3,0,0]=4 276 B14R2.322 c1coc(c1)CNCc2cscn2 2230a_100000185738_100000205941 [0,0,0,0,1,0|3,0,0]=4 277 B14R2.322 c1coc(c1)CNCc2cscn2 270004a_100000185738_100000743575 [0,0,0,0,1,0|3,0,0]=4 278 B14R2.322 c1coc(c1)CNCc2cscn2 34a_100000185738_100000205941 [0,0,0,0,1,0|3,0,0]=4 279 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 207a_100000185738_100000743867 [0,0,0,0,1,0|3,0,0]=4 280 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 207a_100000754540_100000186105 [0,0,0,0,1,0|3,0,0]=4 281 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 2230a_100000185738_100016991755 [0,0,0,0,1,0|3,0,0]=4 282 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 270004a_100000754540_100000186105 [0,0,0,0,1,0|3,0,0]=4 283 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 34a_100000185738_100016991755 [0,0,0,0,1,0|3,0,0]=4 284 B14R2.322 c1coc(c1)CNCc2ncco2 207a_100016994969_100000186105 [0,0,0,0,1,0|2,0,0]=3 285 B14R2.322 c1coc(c1)CNCc2ncco2 2230a_100000185738_103436540062 [0,0,0,0,1,0|2,0,0]=3 286 B14R2.322 c1coc(c1)CNCc2ncco2 270004a_100000185738_100000064290 [0,0,0,0,1,0|2,0,0]=3 287 B14R2.322 c1coc(c1)CNCc2ncco2 34a_100000185738_103436540062 [0,0,0,0,1,0|2,0,0]=3 288 B14R2.322 c1coc(c1)CNCc2nccs2 207a_100000185738_100000750902 [0,0,0,0,1,0|2,1,0]=4 289 B14R2.322 c1coc(c1)CNCc2nccs2 207a_100000740555_100000186105 [0,0,0,0,1,0|2,1,0]=4 290 B14R2.322 c1coc(c1)CNCc2nccs2 2230a_100000185738_100015184050 [0,0,0,0,1,0|2,1,0]=4 291 B14R2.322 c1coc(c1)CNCc2nccs2 270004a_100000185738_100000750902 [0,0,0,0,1,0|2,1,0]=4 292 B14R2.322 c1coc(c1)CNCc2nccs2 270004a_100000740555_100000186105 [0,0,0,0,1,0|2,1,0]=4 293 B14R2.322 c1coc(c1)CNCc2nccs2 34a_100000185738_100015184050 [0,0,0,0,1,0|2,1,0]=4 294 B14R2.322 c1coc(c1)COCc2c[nH]cn2 34a_100000210059_100000707719 [0,0,0,0,1,0|2,1,0]=4 295 B14R2.322 c1coc(c1)COCc2ccn[nH]2 34a_100000210059_100000728653 [0,0,0,0,1,0|2,1,0]=4 296 B14R2.322 c1coc(c1)COCc2ccon2 34a_100000210059_100000234950 [0,0,0,0,1,0|2,1,0]=4 297 B14R2.322 c1coc(c1)COCc2ccsc2 34a_100000210059_100011261437 [0,0,0,0,1,0|2,1,0]=4 298 B14R2.322 c1coc(c1)COCc2cncs2 34a_100000210059_100015185245 [0,0,0,0,1,0|1,2,0]=4 299 B14R2.322 c1coc(c1)COCc2cscn2 34a_100000210059_100000205941 [0,0,0,0,1,0|2,1,0]=4 300 B14R2.322 c1coc(c1)COCc2ncc[nH]2 34a_100000210059_100016991755 [0,0,0,0,1,0|2,1,0]=4 301 B14R2.322 c1coc(c1)COCc2ncco2 34a_100000210059_103436540062 [0,0,0,0,1,0|1,1,0]=3 302 B14R2.322 c1coc(c1)COCc2nccs2 34a_100000210059_100015184050 [0,0,0,0,1,0|1,2,0]=4 303 B14R2.322 c1coc(c1)SCCc2c[nH]cn2 62a_100009814098_100020628418 [0,0,0,0,1,0|3,0,0]=4 304 B14R2.322 c1coc(c1)SCCc2c[nH]cn2 62a_100020628418_100009814098 [0,0,0,0,1,0|3,0,0]=4 305 B14R2.322 c1coc(c1)SCCc2cccs2 62a_100000748579_100009814098 [0,0,0,0,1,0|1,1,0]=3 306 B14R2.322 c1coc(c1)SCCc2cccs2 62a_100009814098_100000748579 [0,0,0,0,1,0|1,1,0]=3 307 B14R2.322 c1coc(c1)SCCn2cccc2 62a_100009814098_200000035178 [0,0,0,0,1,0|3,0,0]=4 308 B14R2.322 c1coc(c1)SCCn2cccc2 62a_200009811947_100009814098 [0,0,0,0,1,0|3,0,0]=4 309 B14R2.322 c1coc(c1)SCCn2cccn2 62a_100009814098_100000685285 [0,0,0,0,1,0|3,0,0]=4 310 B14R2.322 c1coc(c1)SCCn2cccn2 62a_100015204718_100009814098 [0,0,0,0,1,0|3,0,0]=4 311 B14R2.322 c1coc(n1)CNCc2cnco2 270004a_100020634212_100000064290 [0,0,0,0,1,0|3,0,0]=4 312 B14R2.322 c1coc(n1)CNCc2ncco2 2230a_100016994969_103436540062 [0,0,0,0,1,0|3,0,0]=4 313 B14R2.322 c1coc(n1)COCc2ncco2 34a_100000062594_103436540062 [0,0,0,0,1,0|2,1,0]=4 314 B14R2.322 c1coc(n1)CSCc2c[nH]cn2 62a_100000707719_103436540062 [0,0,0,0,1,0|3,0,0]=4 315 B14R2.322 c1coc(n1)CSCc2c[nH]cn2 62a_103436540062_100000707719 [0,0,0,0,1,0|3,0,0]=4 316 B14R2.322 c1coc(n1)CSCc2ccon2 62a_100000234950_103436540062 [0,0,0,0,1,0|3,0,0]=4 317 B14R2.322 c1coc(n1)CSCc2ccon2 62a_103436540062_100000234950 [0,0,0,0,1,0|3,0,0]=4 318 B14R2.322 c1coc(n1)CSCc2ccsc2 62a_100011261437_103436540062 [0,0,0,0,1,0|3,0,0]=4 319 B14R2.322 c1coc(n1)CSCc2ccsc2 62a_103436540062_100011233845 [0,0,0,0,1,0|3,0,0]=4 320 B14R2.322 c1coc(n1)CSCc2cncs2 62a_100015185245_103436540062 [0,0,0,0,1,0|2,1,0]=4 321 B14R2.322 c1coc(n1)CSCc2cncs2 62a_103436540062_100015185245 [0,0,0,0,1,0|2,1,0]=4 322 B14R2.322 c1coc(n1)CSCc2cscn2 62a_100000205941_103436540062 [0,0,0,0,1,0|3,0,0]=4 323 B14R2.322 c1coc(n1)CSCc2cscn2 62a_103436540062_100000205941 [0,0,0,0,1,0|3,0,0]=4 324 B14R2.322 c1coc(n1)CSCc2ncco2 62a_103436540062_103436540062 [0,0,0,0,1,0|2,0,0]=3 325 B14R2.322 c1coc(n1)CSCc2nccs2 62a_100015184050_103436540062 [0,0,0,0,1,0|2,1,0]=4 326 B14R2.322 c1coc(n1)CSCc2nccs2 62a_103436540062_100015184050 [0,0,0,0,1,0|2,1,0]=4 327 B14R2.322 c1csc(c1)CCSc2cccs2 62a_100000748579_100011215356 [0,0,0,0,1,0|1,2,0]=4 328 B14R2.322 c1csc(c1)CCSc2cccs2 62a_100011215356_100000748579 [0,0,0,0,1,0|1,2,0]=4 329 B14R2.322 c1csc(c1)CCSc2cnco2 62a_100000748579_100020591547 [0,0,0,0,1,0|2,1,0]=4 330 B14R2.322 c1csc(c1)CCSc2cnco2 62a_100020591547_100000748579 [0,0,0,0,1,0|2,1,0]=4 331 B14R2.322 c1csc(c1)CCSc2ncco2 62a_100000748579_100011787736 [0,0,0,0,1,0|2,1,0]=4 332 B14R2.322 c1csc(c1)CCSc2ncco2 62a_100011787736_100000748579 [0,0,0,0,1,0|2,1,0]=4 333 B14R2.322 c1csc(c1)CNCc2cccs2 207a_100000211653_100000209959 [0,0,0,0,1,0|1,2,0]=4 334 B14R2.322 c1csc(c1)CNCc2cccs2 270004a_100000211653_100000209959 [0,0,0,0,1,0|1,2,0]=4 335 B14R2.322 c1csc(c1)CNCc2cnco2 207a_100020634212_100000209959 [0,0,0,0,1,0|2,1,0]=4 336 B14R2.322 c1csc(c1)CNCc2cnco2 270004a_100000211653_100000064291 [0,0,0,0,1,0|2,1,0]=4 337 B14R2.322 c1csc(c1)CNCc2cnco2 270004a_100020634212_100000209959 [0,0,0,0,1,0|2,1,0]=4 338 B14R2.322 c1csc(c1)CNCc2ncco2 207a_100016994969_100000209959 [0,0,0,0,1,0|2,1,0]=4 339 B14R2.322 c1csc(c1)CNCc2ncco2 2230a_100000211653_103436540062 [0,0,0,0,1,0|2,1,0]=4 340 B14R2.322 c1csc(c1)CNCc2ncco2 270004a_100000211653_100000064290 [0,0,0,0,1,0|2,1,0]=4 341 B14R2.322 c1csc(c1)COCc2ncco2 34a_100000211240_103436540062 [0,0,0,0,1,0|1,2,0]=4 342 B14R2.322 c1ncc(o1)CNCc2cnco2 270004a_100020634212_100000064291 [0,0,0,0,1,0|3,0,0]=4 343 B16R2.2255 C(=Cc1ccco1)CNCc2ccco2 270004a_100000185738_100000185671 [0,0,0,0,0,1|2,0,1]=4 344 B16R2.2255 c1coc(c1)CCNCCc2cccs2 2230a_100000694680_100000748579 [0,0,0,0,0,1|2,1,0]=4 345 B16R2.2255 c1coc(c1)CCNCCc2cccs2 34a_100000694680_100000748579 [0,0,0,0,0,1|2,1,0]=4 346 B16R2.2255 c1coc(c1)CNCCCc2cccs2 2230a_100000185738_100010992444 [0,0,0,0,0,1|2,1,0]=4 347 B16R2.2255 c1coc(c1)CNCCCc2cccs2 34a_100000185738_100010992444 [0,0,0,0,0,1|2,1,0]=4 348 B16R2.2255 c1coc(c1)COCCCc2cccs2 34a_100000210059_100010992444 [0,0,0,0,0,1|1,2,0]=4 349 B16R2.2255 c1csc(c1)CCCSCc2ncco2 62a_100010992444_103436540062 [0,0,0,0,0,1|2,1,0]=4 350 B16R2.2255 c1csc(c1)CCCSCc2ncco2 62a_103436540062_100010992444 [0,0,0,0,0,1|2,1,0]=4 351 B16R2.2255 c1csc(c1)CCSCCc2cccs2 62a_100000748579_100000748579 [0,0,0,0,0,1|1,2,0]=4 352 B16R2.2257 c1cc(ccn1)CCSCc2ncco2 62a_100000723409_103436540062 [0,0,0,0,0,1|3,0,0]=4 353 B16R2.2257 c1cc(ccn1)CCSCc2ncco2 62a_103436540062_100000723409 [0,0,0,0,0,1|3,0,0]=4 354 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 207a_100000106460_100000186105 [0,0,0,0,0,1|3,0,0]=4 355 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 2230a_100000185738_100000765856 [0,0,0,0,0,1|3,0,0]=4 356 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 270004a_100000106460_100000186105 [0,0,0,0,0,1|3,0,0]=4 357 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 34a_100000185738_100000765856 [0,0,0,0,0,1|3,0,0]=4 358 B16R2.2257 c1ccc(cc1)CCOCc2ccco2 34a_100000210059_100000765856 [0,0,0,0,0,1|2,1,0]=4 359 B16R2.2257 c1ccc(cc1)CCSCc2ncco2 62a_100000765856_103436540062 [0,0,0,0,0,1|3,0,0]=4 360 B16R2.2257 c1ccc(cc1)CCSCc2ncco2 62a_103436540062_100011218657 [0,0,0,0,0,1|3,0,0]=4 361 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 207a_100000694680_100015611070 [0,0,0,0,0,1|3,0,0]=4 362 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 2230a_100000694680_100015291786 [0,0,0,0,0,1|3,0,0]=4 363 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 270004a_100000694680_100015611070 [0,0,0,0,0,1|3,0,0]=4 364 B16R2.2257 c1ccc(cc1)CNCCc2ccco2 34a_100000694680_100015291786 [0,0,0,0,0,1|3,0,0]=4 365 B16R2.2257 c1ccc(cc1)CSCCc2cccs2 62a_100000211182_100000748579 [0,0,0,0,0,1|2,1,0]=4 366 B16R2.2257 c1ccc(cc1)CSCCc2cccs2 62a_100000748579_100015291786 [0,0,0,0,0,1|2,1,0]=4 367 B16R2.2257 c1ccc(cc1)CSCSc2ccco2 62a_100009814098_200011217039 [0,0,0,0,0,1|3,0,0]=4 368 B16R2.2257 c1ccc(cc1)CSCSc2ccco2 62a_200011217039_100009814098 [0,0,0,0,0,1|3,0,0]=4 369 B16R2.2257 c1ccc(nc1)CCNCc2ccco2 207a_100000211156_100000186105 [0,0,0,0,0,1|3,0,0]=4 370 B16R2.2257 c1ccc(nc1)CCNCc2ccco2 2230a_100000185738_100015183660 [0,0,0,0,0,1|3,0,0]=4 371 B16R2.2257 c1ccc(nc1)CCNCc2ccco2 270004a_100000211156_100000186105 [0,0,0,0,0,1|3,0,0]=4 372 B16R2.2257 c1ccc(nc1)CCSCc2ncco2 62a_100015183660_103436540062 [0,0,0,0,0,1|3,0,0]=4 373 B16R2.2257 c1ccc(nc1)CCSCc2ncco2 62a_103436540062_100015183660 [0,0,0,0,0,1|3,0,0]=4 374 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 207a_100000694680_100000209966 [0,0,0,0,0,1|3,0,0]=4 375 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 2230a_100000694680_100000721315 [0,0,0,0,0,1|3,0,0]=4 376 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 270004a_100000694680_100000209966 [0,0,0,0,0,1|3,0,0]=4 377 B16R2.2257 c1ccc(nc1)CNCCc2ccco2 34a_100000694680_100000721315 [0,0,0,0,0,1|3,0,0]=4 378 B16R2.2257 c1ccc(nc1)CSCCc2cccs2 62a_100000721315_100000748579 [0,0,0,0,0,1|2,1,0]=4 379 B16R2.2257 c1ccc(nc1)CSCCc2cccs2 62a_100000748579_100000721315 [0,0,0,0,0,1|2,1,0]=4 380 B16R2.2257 c1cnc(nc1)CNCCc2ccco2 2230a_100000694680_100000703007 [0,0,0,0,0,1|3,0,0]=4 381 B16R2.2257 c1cnc(nc1)CNCCc2ccco2 270004a_100000694680_100011532527 [0,0,0,0,0,1|3,0,0]=4 382 B16R2.2257 c1cnc(nc1)CNCCc2ccco2 34a_100000694680_100000703007 [0,0,0,0,0,1|3,0,0]=4 383 B16R2.2257 c1cnc(nc1)CSCCc2cccs2 62a_100000703007_100000748579 [0,0,0,0,0,1|2,1,0]=4 384 B16R2.2257 c1cnc(nc1)CSCCc2cccs2 62a_100000748579_100000703007 [0,0,0,0,0,1|2,1,0]=4 385 B16R2.2257 c1cncc(c1)CCNCc2ccco2 207a_100000736294_100000186105 [0,0,0,0,0,1|3,0,0]=4 386 B16R2.2257 c1cncc(c1)CCNCc2ccco2 2230a_100000185738_200011713674 [0,0,0,0,0,1|3,0,0]=4 387 B16R2.2257 c1cncc(c1)CCNCc2ccco2 270004a_100000736294_100000186105 [0,0,0,0,0,1|3,0,0]=4 388 B16R2.2257 c1cncc(c1)CCSCc2ncco2 62a_103436540062_200011713674 [0,0,0,0,0,1|3,0,0]=4 389 B16R2.2257 c1cncc(c1)CCSCc2ncco2 62a_200011713674_103436540062 [0,0,0,0,0,1|3,0,0]=4 390 B16R2.2257 c1cncc(c1)CNCCc2ccco2 207a_100000694680_100000209961 [0,0,0,0,0,1|3,0,0]=4 391 B16R2.2257 c1cncc(c1)CNCCc2ccco2 2230a_100000694680_100000741622 [0,0,0,0,0,1|3,0,0]=4 392 B16R2.2257 c1cncc(c1)CNCCc2ccco2 270004a_100000694680_100000209961 [0,0,0,0,0,1|3,0,0]=4 393 B16R2.2257 c1cncc(c1)CNCCc2ccco2 34a_100000694680_100000733263 [0,0,0,0,0,1|3,0,0]=4 394 B16R2.2257 c1cncc(c1)CSCCc2cccs2 62a_100000741622_100000748579 [0,0,0,0,0,1|2,1,0]=4 395 B16R2.2257 c1cncc(c1)CSCCc2cccs2 62a_100000748579_100000741622 [0,0,0,0,0,1|2,1,0]=4 396 B16R2.2257 c1cnnc(c1)CNCCc2ccco2 2230a_100000694680_100016990269 [0,0,0,0,0,1|3,0,0]=4 397 B16R2.2257 c1cnnc(c1)CNCCc2ccco2 34a_100000694680_100016990269 [0,0,0,0,0,1|3,0,0]=4 398 B16R2.2257 c1cnnc(c1)CSCCc2cccs2 62a_100000748579_100016990269 [0,0,0,0,0,1|2,1,0]=4 399 B16R2.2257 c1cnnc(c1)CSCCc2cccs2 62a_100016990269_100000748579 [0,0,0,0,0,1|2,1,0]=4 400 B16R2.2257 c1coc(c1)CCNCc2ccncc2 207a_100000694680_100000186114 [0,0,0,0,0,1|3,0,0]=4 401 B16R2.2257 c1coc(c1)CCNCc2ccncc2 2230a_100000694680_100015193705 [0,0,0,0,0,1|3,0,0]=4 402 B16R2.2257 c1coc(c1)CCNCc2cnccn2 2230a_100000694680_100016995436 [0,0,0,0,0,1|3,0,0]=4 403 B16R2.2257 c1coc(c1)CCNCc2cnccn2 270004a_100000694680_100000749867 [0,0,0,0,0,1|3,0,0]=4 404 B16R2.2257 c1coc(c1)CCNCc2cnccn2 34a_100000694680_100016995436 [0,0,0,0,0,1|3,0,0]=4 405 B16R2.2257 c1coc(c1)CNCCc2ccncc2 207a_100000742849_100000186105 [0,0,0,0,0,1|3,0,0]=4 406 B16R2.2257 c1coc(c1)CNCCc2ccncc2 2230a_100000185738_100000723409 [0,0,0,0,0,1|3,0,0]=4 407 B16R2.2257 c1coc(c1)CNCCc2ccncc2 270004a_100000742849_100000186105 [0,0,0,0,0,1|3,0,0]=4 408 B16R2.2257 c1coc(c1)CNCCc2cnccn2 207a_100000723456_100000186105 [0,0,0,0,0,1|3,0,0]=4 409 B16R2.2257 c1coc(c1)CNCCc2cnccn2 270004a_100000723456_100000186105 [0,0,0,0,0,1|3,0,0]=4 410 B16R2.2257 c1csc(c1)CCSCc2ccncc2 62a_100000748579_100015193705 [0,0,0,0,0,1|2,1,0]=4 411 B16R2.2257 c1csc(c1)CCSCc2ccncc2 62a_100015193705_100000748579 [0,0,0,0,0,1|2,1,0]=4 412 B16R2.2257 c1csc(c1)CCSCc2cnccn2 62a_100000748579_100016995436 [0,0,0,0,0,1|2,1,0]=4 413 B16R2.2257 c1csc(c1)CCSCc2cnccn2 62a_100016995436_100000748579 [0,0,0,0,0,1|2,1,0]=4 414 B15R2.286 Brc1c[nH]c(c1)CNCc2ccco2 270004a_100000185738_100000720742 [0,1,0,0,1,0|2,0,0]=4 415 B15R2.286 Brc1cc(on1)CNCc2ccco2 207a_100015193020_100000186105 [0,1,0,0,1,0|2,0,0]=4 416 B15R2.286 Brc1cc(on1)CNCc2ccco2 270004a_100000185738_100009819588 [0,1,0,0,1,0|2,0,0]=4 417 B15R2.286 Brc1cc(on1)CSCc2ncco2 62a_100000709089_103436540062 [0,1,0,0,1,0|2,0,0]=4 418 B15R2.286 Brc1cc(on1)CSCc2ncco2 62a_103436540062_100000709089 [0,1,0,0,1,0|2,0,0]=4 419 B15R2.286 Brc1ccc(o1)CNCc2ccco2 207a_100000185738_100000185145 [0,1,0,0,1,0|1,0,0]=3 420 B15R2.286 Brc1ccc(o1)CNCc2ccco2 207a_100000708654_100000186105 [0,1,0,0,1,0|1,0,0]=3 421 B15R2.286 Brc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000185145 [0,1,0,0,1,0|1,0,0]=3 422 B15R2.286 Brc1ccc(o1)CNCc2ccco2 270004a_100000708654_100000186105 [0,1,0,0,1,0|1,0,0]=3 423 B15R2.286 Brc1ccc(o1)CNCc2cccs2 207a_100000211653_100000185145 [0,1,0,0,1,0|1,1,0]=4 424 B15R2.286 Brc1ccc(o1)CNCc2cccs2 207a_100000708654_100000209959 [0,1,0,0,1,0|1,1,0]=4 425 B15R2.286 Brc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000185145 [0,1,0,0,1,0|1,1,0]=4 426 B15R2.286 Brc1ccc(o1)CNCc2cccs2 270004a_100000708654_100000209959 [0,1,0,0,1,0|1,1,0]=4 427 B15R2.286 Brc1ccc(o1)CNCc2cnco2 207a_100020634212_100000185145 [0,1,0,0,1,0|2,0,0]=4 428 B15R2.286 Brc1ccc(o1)CNCc2cnco2 270004a_100000708654_100000064291 [0,1,0,0,1,0|2,0,0]=4 429 B15R2.286 Brc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000185145 [0,1,0,0,1,0|2,0,0]=4 430 B15R2.286 Brc1ccc(o1)CNCc2ncco2 207a_100016994969_100000185145 [0,1,0,0,1,0|2,0,0]=4 431 B15R2.286 Brc1ccc(o1)CNCc2ncco2 270004a_100000708654_100000064290 [0,1,0,0,1,0|2,0,0]=4 432 B15R2.286 Brc1ccc(o1)CNCc2ncco2 34a_100000708654_103436540062 [0,1,0,0,1,0|2,0,0]=4 433 B15R2.286 Brc1ccc(o1)COCc2ncco2 34a_100000246276_103436540062 [0,1,0,0,1,0|1,1,0]=4 434 B15R2.286 Brc1ccc(o1)COCc2ncco2 7a_100000246276_103436540062 [0,1,0,0,1,0|1,1,0]=4 435 B15R2.286 Brc1ccc(s1)CNCc2ccco2 207a_100000185738_100000179771 [0,1,0,0,1,0|1,1,0]=4 436 B15R2.286 Brc1ccc(s1)CNCc2ccco2 207a_100000737305_100000186105 [0,1,0,0,1,0|1,1,0]=4 437 B15R2.286 Brc1ccc(s1)CNCc2ccco2 2230a_100000185738_100000708592 [0,1,0,0,1,0|1,1,0]=4 438 B15R2.286 Brc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000179771 [0,1,0,0,1,0|1,1,0]=4 439 B15R2.286 Brc1ccc(s1)CNCc2ccco2 270004a_100000737305_100000186105 [0,1,0,0,1,0|1,1,0]=4 440 B15R2.286 Brc1ccc(s1)CNCc2ccco2 34a_100000185738_100000708592 [0,1,0,0,1,0|1,1,0]=4 441 B15R2.286 Brc1ccc(s1)COCc2ccco2 34a_100000210059_100000708592 [0,1,0,0,1,0|0,2,0]=4 442 B15R2.286 Brc1ccc(s1)CSCc2ncco2 62a_100000708592_103436540062 [0,1,0,0,1,0|1,1,0]=4 443 B15R2.286 Brc1ccc(s1)CSCc2ncco2 62a_103436540062_100000708592 [0,1,0,0,1,0|1,1,0]=4 444 B15R2.286 Brc1coc(c1)CNCc2ccco2 270004a_100000185738_100000747035 [0,1,0,0,1,0|1,0,0]=3 445 B15R2.286 Brc1coc(c1)CNCc2cccs2 270004a_100000211653_100000747035 [0,1,0,0,1,0|1,1,0]=4 446 B15R2.286 Brc1coc(c1)CNCc2cnco2 270004a_100020634212_100000747035 [0,1,0,0,1,0|2,0,0]=4 447 B15R2.286 Brc1csc(c1)CNCc2ccco2 207a_100000185738_100000211722 [0,1,0,0,1,0|1,1,0]=4 448 B15R2.286 Brc1csc(c1)CNCc2ccco2 207a_100000741024_100000186105 [0,1,0,0,1,0|1,1,0]=4 449 B15R2.286 Brc1csc(c1)CNCc2ccco2 2230a_100000185738_100000746031 [0,1,0,0,1,0|1,1,0]=4 450 B15R2.286 Brc1csc(c1)CNCc2ccco2 270004a_100000185738_100000211722 [0,1,0,0,1,0|1,1,0]=4 451 B15R2.286 Brc1csc(c1)CNCc2ccco2 270004a_100000741024_100000186105 [0,1,0,0,1,0|1,1,0]=4 452 B15R2.286 Brc1csc(c1)CNCc2ccco2 34a_100000185738_100000746031 [0,1,0,0,1,0|1,1,0]=4 453 B15R2.286 Brc1csc(c1)COCc2ccco2 34a_100000210059_100000746031 [0,1,0,0,1,0|0,2,0]=4 454 B15R2.286 Brc1csc(c1)CSCc2ncco2 62a_100000746031_103436540062 [0,1,0,0,1,0|1,1,0]=4 455 B15R2.286 Brc1csc(c1)CSCc2ncco2 62a_103436540062_100000746031 [0,1,0,0,1,0|1,1,0]=4 456 B15R2.286 Cc1cc(on1)CNCc2ccco2 207a_100000185738_100011794430 [0,1,0,0,1,0|2,0,0]=4 457 B15R2.286 Cc1cc(on1)CNCc2ccco2 207a_100000745748_100000186105 [0,1,0,0,1,0|2,0,0]=4 458 B15R2.286 Cc1cc(on1)CNCc2ccco2 2230a_100000185738_100000707947 [0,1,0,0,1,0|2,0,0]=4 459 B15R2.286 Cc1cc(on1)CNCc2ccco2 270004a_100000185738_100011794430 [0,1,0,0,1,0|2,0,0]=4 460 B15R2.286 Cc1cc(on1)CNCc2ccco2 270004a_100000745748_100000186105 [0,1,0,0,1,0|2,0,0]=4 461 B15R2.286 Cc1cc(on1)CNCc2ccco2 34a_100000185738_100000707947 [0,1,0,0,1,0|2,0,0]=4 462 B15R2.286 Cc1cc(on1)COCc2ccco2 34a_100000210059_100000707947 [0,1,0,0,1,0|1,1,0]=4 463 B15R2.286 Cc1cc(on1)CSCc2ncco2 62a_100000707947_103436540062 [0,1,0,0,1,0|2,0,0]=4 464 B15R2.286 Cc1cc(on1)CSCc2ncco2 62a_103436540062_100000707947 [0,1,0,0,1,0|2,0,0]=4 465 B15R2.286 Cc1ccc(o1)CNCc2ccco2 207a_100000185738_100000183696 [0,1,0,0,1,0|1,0,0]=3 466 B15R2.286 Cc1ccc(o1)CNCc2ccco2 207a_100011194323_100000186105 [0,1,0,0,1,0|1,0,0]=3 467 B15R2.286 Cc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000183696 [0,1,0,0,1,0|1,0,0]=3 468 B15R2.286 Cc1ccc(o1)CNCc2ccco2 270004a_100011194323_100000186105 [0,1,0,0,1,0|1,0,0]=3 469 B15R2.286 Cc1ccc(o1)CNCc2cccs2 207a_100000211653_100000183696 [0,1,0,0,1,0|1,1,0]=4 470 B15R2.286 Cc1ccc(o1)CNCc2cccs2 207a_100011194323_100000209959 [0,1,0,0,1,0|1,1,0]=4 471 B15R2.286 Cc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000183696 [0,1,0,0,1,0|1,1,0]=4 472 B15R2.286 Cc1ccc(o1)CNCc2cccs2 270004a_100011194323_100000209959 [0,1,0,0,1,0|1,1,0]=4 473 B15R2.286 Cc1ccc(o1)CNCc2cnco2 207a_100020634212_100000183696 [0,1,0,0,1,0|2,0,0]=4 474 B15R2.286 Cc1ccc(o1)CNCc2cnco2 270004a_100011194323_100000064291 [0,1,0,0,1,0|2,0,0]=4 475 B15R2.286 Cc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000183696 [0,1,0,0,1,0|2,0,0]=4 476 B15R2.286 Cc1ccc(o1)CNCc2ncco2 207a_100016994969_100000183696 [0,1,0,0,1,0|2,0,0]=4 477 B15R2.286 Cc1ccc(o1)CNCc2ncco2 270004a_100011194323_100000064290 [0,1,0,0,1,0|2,0,0]=4 478 B15R2.286 Cc1ccc(o1)CNCc2ncco2 34a_100011194323_103436540062 [0,1,0,0,1,0|2,0,0]=4 479 B15R2.286 Cc1ccc(o1)COCc2ncco2 34a_100011232665_103436540062 [0,1,0,0,1,0|1,1,0]=4 480 B15R2.286 Cc1ccc(o1)COCc2ncco2 7a_100011232665_103436540062 [0,1,0,0,1,0|1,1,0]=4 481 B15R2.286 Cc1ccc(s1)CNCc2ccco2 207a_100000185738_100000211121 [0,1,0,0,1,0|1,1,0]=4 482 B15R2.286 Cc1ccc(s1)CNCc2ccco2 207a_100000238518_100000186105 [0,1,0,0,1,0|1,1,0]=4 483 B15R2.286 Cc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000211121 [0,1,0,0,1,0|1,1,0]=4 484 B15R2.286 Cc1ccc(s1)CNCc2ccco2 270004a_100000238518_100000186105 [0,1,0,0,1,0|1,1,0]=4 485 B15R2.286 Cc1cnc(o1)CNCc2ccco2 207a_100138411809_100000186105 [0,1,0,0,1,0|2,0,0]=4 486 B15R2.286 Cc1csc(c1)CNCc2ccco2 207a_100000185738_100102525248 [0,1,0,0,1,0|1,1,0]=4 487 B15R2.286 Cc1csc(c1)CNCc2ccco2 207a_100015204214_100000186105 [0,1,0,0,1,0|1,1,0]=4 488 B15R2.286 Cc1csc(c1)CNCc2ccco2 270004a_100000185738_100102525248 [0,1,0,0,1,0|1,1,0]=4 489 B15R2.286 Cc1csc(c1)CNCc2ccco2 270004a_100015204214_100000186105 [0,1,0,0,1,0|1,1,0]=4 490 B15R2.286 Cc1ncc(o1)CNCc2ccco2 207a_100000185738_100000084308 [0,1,0,0,1,0|2,0,0]=4 491 B15R2.286 Cc1ncc(o1)CNCc2ccco2 270004a_100000185738_100000084308 [0,1,0,0,1,0|2,0,0]=4 492 B15R2.286 Clc1ccc(o1)CNCc2ccco2 207a_100000185738_100000188459 [0,1,0,0,1,0|1,0,0]=3 493 B15R2.286 Clc1ccc(o1)CNCc2ccco2 270004a_100000185738_100000188459 [0,1,0,0,1,0|1,0,0]=3 494 B15R2.286 Clc1ccc(o1)CNCc2cccs2 207a_100000211653_100000188459 [0,1,0,0,1,0|1,1,0]=4 495 B15R2.286 Clc1ccc(o1)CNCc2cccs2 270004a_100000211653_100000188459 [0,1,0,0,1,0|1,1,0]=4 496 B15R2.286 Clc1ccc(o1)CNCc2cnco2 207a_100020634212_100000188459 [0,1,0,0,1,0|2,0,0]=4 497 B15R2.286 Clc1ccc(o1)CNCc2cnco2 270004a_100020634212_100000188459 [0,1,0,0,1,0|2,0,0]=4 498 B15R2.286 Clc1ccc(o1)CNCc2ncco2 207a_100016994969_100000188459 [0,1,0,0,1,0|2,0,0]=4 499 B15R2.286 Clc1ccc(s1)CNCc2ccco2 207a_100000185738_100000242774 [0,1,0,0,1,0|1,1,0]=4 500 B15R2.286 Clc1ccc(s1)CNCc2ccco2 207a_100000737310_100000186105 [0,1,0,0,1,0|1,1,0]=4 501 B15R2.286 Clc1ccc(s1)CNCc2ccco2 2230a_100000185738_100000185097 [0,1,0,0,1,0|1,1,0]=4 502 B15R2.286 Clc1ccc(s1)CNCc2ccco2 270004a_100000185738_100000242774 [0,1,0,0,1,0|1,1,0]=4 503 B15R2.286 Clc1ccc(s1)CNCc2ccco2 270004a_100000737310_100000186105 [0,1,0,0,1,0|1,1,0]=4 504 B15R2.286 Clc1ccc(s1)CNCc2ccco2 34a_100000185738_100000185097 [0,1,0,0,1,0|1,1,0]=4 505 B15R2.286 Clc1ccc(s1)COCc2ccco2 34a_100000210059_100000185097 [0,1,0,0,1,0|0,2,0]=4 506 B15R2.286 Clc1ccc(s1)CSCc2ncco2 62a_100000185097_103436540062 [0,1,0,0,1,0|1,1,0]=4 507 B15R2.286 Clc1ccc(s1)CSCc2ncco2 62a_103436540062_100000185097 [0,1,0,0,1,0|1,1,0]=4 508 B15R2.286 Clc1csc(c1)CNCc2ccco2 207a_100000185738_100000102487 [0,1,0,0,1,0|1,1,0]=4 509 B15R2.286 Clc1csc(c1)CNCc2ccco2 270004a_100000185738_100000102487 [0,1,0,0,1,0|1,1,0]=4 510 B15R2.286 Ic1ccc(o1)CNCc2ccco2 207a_100000185738_100000186757 [0,1,0,0,1,0|1,0,0]=3 511 B15R2.286 Ic1ccc(o1)CNCc2cccs2 207a_100000211653_100000186757 [0,1,0,0,1,0|1,1,0]=4 512 B15R2.286 Ic1ccc(o1)CNCc2cnco2 207a_100020634212_100000186757 [0,1,0,0,1,0|2,0,0]=4 513 B15R2.286 Ic1ccc(o1)CNCc2ncco2 207a_100016994969_100000186757 [0,1,0,0,1,0|2,0,0]=4 514 B15R2.286 Ic1csc(c1)CNCc2ccco2 207a_100000185738_100010179861 [0,1,0,0,1,0|1,1,0]=4 515 B15R2.404 Brc1ccoc1CNCc2ccco2 270004a_100000185738_100000756499 [0,1,0,0,1,0|1,0,0]=3 516 B15R2.404 Brc1ccoc1CNCc2cccs2 270004a_100000211653_100000756499 [0,1,0,0,1,0|1,1,0]=4 517 B15R2.404 Brc1ccoc1CNCc2cnco2 270004a_100020634212_100000756499 [0,1,0,0,1,0|2,0,0]=4 518 B15R2.404 Brc1ccsc1CNCc2ccco2 207a_100000185738_100000766043 [0,1,0,0,1,0|1,1,0]=4 519 B15R2.404 Brc1ccsc1CNCc2ccco2 270004a_100000185738_100000766043 [0,1,0,0,1,0|1,1,0]=4 520 B15R2.404 Cc1ccoc1CNCc2ccco2 207a_100000185738_100000763527 [0,1,0,0,1,0|1,0,0]=3 521 B15R2.404 Cc1ccoc1CNCc2ccco2 270004a_100000185738_100000763527 [0,1,0,0,1,0|1,0,0]=3 522 B15R2.404 Cc1ccoc1CNCc2cccs2 207a_100000211653_100000763527 [0,1,0,0,1,0|1,1,0]=4 523 B15R2.404 Cc1ccoc1CNCc2cccs2 270004a_100000211653_100000763527 [0,1,0,0,1,0|1,1,0]=4 524 B15R2.404 Cc1ccoc1CNCc2cnco2 207a_100020634212_100000763527 [0,1,0,0,1,0|2,0,0]=4 525 B15R2.404 Cc1ccoc1CNCc2cnco2 270004a_100020634212_100000763527 [0,1,0,0,1,0|2,0,0]=4 526 B15R2.404 Cc1ccoc1CNCc2ncco2 207a_100016994969_100000763527 [0,1,0,0,1,0|2,0,0]=4 527 B15R2.404 Cc1ccoc1COCc2ncco2 34a_100011273948_103436540062 [0,1,0,0,1,0|1,1,0]=4 528 B15R2.404 Cc1ccoc1COCc2ncco2 7a_100011273948_103436540062 [0,1,0,0,1,0|1,1,0]=4 529 B15R2.404 Cc1ccsc1CNCc2ccco2 207a_100000185738_100000210881 [0,1,0,0,1,0|1,1,0]=4 530 B15R2.404 Cc1ccsc1CNCc2ccco2 207a_100000238519_100000186105 [0,1,0,0,1,0|1,1,0]=4 531 B15R2.404 Cc1ccsc1CNCc2ccco2 270004a_100000185738_100000210881 [0,1,0,0,1,0|1,1,0]=4 532 B15R2.404 Cc1ccsc1CNCc2ccco2 270004a_100000238519_100000186105 [0,1,0,0,1,0|1,1,0]=4 533 B15R2.404 Clc1ccsc1CNCc2ccco2 207a_100000185738_100000722334 [0,1,0,0,1,0|1,1,0]=4 534 B15R2.404 Clc1ccsc1CNCc2ccco2 207a_100011934584_100000186105 [0,1,0,0,1,0|1,1,0]=4 535 B15R2.404 Clc1ccsc1CNCc2ccco2 270004a_100000185738_100000722334 [0,1,0,0,1,0|1,1,0]=4 536 B15R2.404 Clc1ccsc1CNCc2ccco2 270004a_100011934584_100000186105 [0,1,0,0,1,0|1,1,0]=4 537 B15R2.404 Cn1cccc1CNCc2ccco2 270004a_100000185738_100000211633 [0,1,0,0,1,0|2,0,0]=4 538 B15R2.1260 CN(Cc1ccco1)Cc2ccco2 2230a_100015185892_200000210301 [0,1,0,0,1,0|1,0,0]=3 539 B15R2.1260 CN(Cc1ccco1)Cc2ccco2 269982a_100015185892_200000210301 [0,1,0,0,1,0|1,0,0]=3 540 B15R2.1260 CN(Cc1ccco1)Cc2ccco2 270004a_100000185268_100000186105 [0,1,0,0,1,0|1,0,0]=3 541 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 2230a_100000184478_200000210301 [0,1,0,0,1,0|1,1,0]=4 542 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 269982a_100000184478_200000210301 [0,1,0,0,1,0|1,1,0]=4 543 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 270004a_100000184426_100000186105 [0,1,0,0,1,0|1,1,0]=4 544 B15R2.1260 CN(Cc1ccco1)Cc2cccs2 270004a_100000185268_100000209959 [0,1,0,0,1,0|1,1,0]=4 545 B15R2.1260 CN(Cc1ccco1)Cc2cnco2 270004a_100000185268_100000064291 [0,1,0,0,1,0|2,0,0]=4 546 B15R2.1260 CN(Cc1ccco1)Cc2ncco2 2230a_100000185268_103436540062 [0,1,0,0,1,0|2,0,0]=4 547 B15R2.1260 CN(Cc1ccco1)Cc2ncco2 269982a_100000185268_103436540062 [0,1,0,0,1,0|2,0,0]=4 548 B15R2.1260 CN(Cc1ccco1)Cc2ncco2 270004a_100000185268_100000064290 [0,1,0,0,1,0|2,0,0]=4 549 B15R2.1260 O=C(Cc1ccco1)Cc2ncco2 1458a_100011217309_103436540062 [0,1,0,0,1,0|2,0,0]=4 550 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2ccco2 2230a_100015185892_200025704644 [0,1,0,0,1,0|1,0,0]=3 551 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2ccco2 269982a_100015185892_200025704644 [0,1,0,0,1,0|1,0,0]=3 552 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2cccs2 2230a_100000184478_200025704644 [0,1,0,0,1,0|1,1,0]=4 553 B15R2.1260 [13CH3]N(Cc1ccco1)Cc2cccs2 269982a_100000184478_200025704644 [0,1,0,0,1,0|1,1,0]=4 554 B15R2.3989 CC(NCc1ccco1)c2cccs2 207a_100000703493_100000186105 [0,1,0,0,1,0|1,1,0]=4 555 B15R2.3989 CC(NCc1ccco1)c2cccs2 270004a_100000703493_100000186105 [0,1,0,0,1,0|1,1,0]=4 556 B15R2.3989 C[C@@H](NCc1ccco1)c2ccco2 207a_100160469435_100000186105 [0,1,0,0,1,0|1,0,0]=3 557 B15R2.3989 C[C@@H](NCc1ccco1)c2ccco2 270004a_100160469435_100000186105 [0,1,0,0,1,0|1,0,0]=3 558 B15R2.3989 C[C@@H](NCc1cccs1)c2ccco2 207a_100160469435_100000209959 [0,1,0,0,1,0|1,1,0]=4 559 B15R2.3989 C[C@@H](NCc1cccs1)c2ccco2 270004a_100160469435_100000209959 [0,1,0,0,1,0|1,1,0]=4 560 B15R2.3989 C[C@@H](NCc1cnco1)c2ccco2 270004a_100160469435_100000064291 [0,1,0,0,1,0|2,0,0]=4 561 B15R2.3989 C[C@@H](NCc1ncco1)c2ccco2 2230a_100160469435_103436540062 [0,1,0,0,1,0|2,0,0]=4 562 B15R2.3989 C[C@@H](NCc1ncco1)c2ccco2 270004a_100160469435_100000064290 [0,1,0,0,1,0|2,0,0]=4 563 B15R2.3989 C[C@H](OCc1ncco1)c2ccco2 34a_100000755270_103436540062 [0,1,0,0,1,0|1,1,0]=4 564 B15R2.3989 C[C@H](OCc1ncco1)c2ccco2 7a_100000755270_103436540062 [0,1,0,0,1,0|1,1,0]=4 565 B15R2.3989 O=C(CSc1ccco1)c2ccco2 62a_100000211439_100009814098 [0,1,0,0,1,0|1,0,1]=4 566 B15R2.3989 O=C(CSc1ccco1)c2ccco2 62a_100009814098_100000211439 [0,1,0,0,1,0|1,0,1]=4 567 B17R2.8346 CC(CCc1ccco1)NCc2ccco2 207a_100000199034_100000186105 [0,1,0,0,0,1|2,0,0]=4 568 B17R2.8346 CC(CCc1ccco1)NCc2ccco2 270004a_100000199034_100000186105 [0,1,0,0,0,1|2,0,0]=4 569 B17R2.8346 O=C(CCc1ccco1)NCc2ccco2 11a_100000185738_100000185103 [0,1,0,0,0,1|2,0,0]=4 570 B17R2.8346 O=C(CCc1ccco1)NCc2ccco2 1626a_100000185738_100000185103 [0,1,0,0,0,1|2,0,0]=4 571 B17R2.8346 O=C(CCc1ccco1)NCc2ccco2 527a_100000185738_100000185103 [0,1,0,0,0,1|2,0,0]=4 572 B17R2.8346 O=C(CSc1ccco1)NCc2ccco2 62a_100000183421_100009814098 [0,1,0,0,0,1|2,0,0]=4 573 B17R2.8346 O=C(CSc1ccco1)NCc2ccco2 62a_100009814098_100000183421 [0,1,0,0,0,1|2,0,0]=4 574 B17R2.8346 O=C(NCc1ccco1)NCc2ccco2 2708a_100000185738_100000185738 [0,1,0,0,0,1|2,0,0]=4 575 B17R2.8346 O=C(NCc1ccco1)NCc2ccco2 512a_100000185738_100000185738 [0,1,0,0,0,1|2,0,0]=4 576 B17R2.45542 O=C(CSCCc1cccs1)c2ccco2 62a_100000211439_100000748579 [0,1,0,0,0,1|1,1,0]=4 577 B17R2.45542 O=C(CSCCc1cccs1)c2ccco2 62a_100000748579_100000211439 [0,1,0,0,0,1|1,1,0]=4 578 B17R2.45545 CC(Cc1ccco1)NCCc2ccco2 270004a_100000694680_100011216958 [0,1,0,0,0,1|2,0,0]=4 579 B17R2.45545 O=C(Cc1ccco1)NCCc2ccco2 11a_100000694680_100011217309 [0,1,0,0,0,1|2,0,0]=4 580 B17R2.45545 O=C(Cc1ccco1)NCCc2ccco2 527a_100000694680_100011217309 [0,1,0,0,0,1|2,0,0]=4 581 B17R2.2540 CCc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000743199 [0,2,0,0,0,0|2,0,0]=4 582 B17R2.2540 CCc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000743199 [0,2,0,0,0,0|2,0,0]=4 583 B17R2.2540 N#Cc1ccc(o1)CNCCc2ccco2 2230a_100000694680_100009822536 [0,2,0,0,0,0|2,0,0]=4 584 B17R2.2540 N#Cc1ccc(o1)CNCCc2ccco2 34a_100000694680_100009822536 [0,2,0,0,0,0|2,0,0]=4 585 B17R2.2540 N#Cc1ccc(o1)CSCCc2cccs2 62a_100000748579_100009822536 [0,2,0,0,0,0|1,1,0]=4 586 B17R2.2540 O=Cc1ccc(o1)CNCCc2ccco2 2230a_100000694680_200000079136 [0,2,0,0,0,0|2,0,0]=4 587 B17R2.2540 O=Cc1ccc(o1)CNCCc2ccco2 34a_100000694680_200000079136 [0,2,0,0,0,0|2,0,0]=4 588 B17R2.2540 O=Cc1ccc(o1)CSCCc2cccs2 62a_100000748579_200000079136 [0,2,0,0,0,0|1,1,0]=4 589 B17R2.2540 OCc1ccc(o1)CNCCc2ccco2 207a_100000694680_100000758743 [0,2,0,0,0,0|2,0,0]=4 590 B17R2.2540 OCc1ccc(o1)CNCCc2ccco2 270004a_100000694680_100000758743 [0,2,0,0,0,0|2,0,0]=4 591 B17R2.3243 Cc1ccc(o1)CCNCc2cc(co2)Br 270004a_100000739271_100000747035 [0,2,0,0,0,0|2,0,0]=4 592 B17R2.3243 Cc1ccc(o1)CCNCc2ccc(o2)Br 207a_100000739271_100000185145 [0,2,0,0,0,0|2,0,0]=4 593 B17R2.3243 Cc1ccc(o1)CCNCc2ccc(o2)Br 270004a_100000739271_100000185145 [0,2,0,0,0,0|2,0,0]=4 594 B17R2.3243 Cc1ccc(o1)CCNCc2ccc(o2)C 207a_100000739271_100000183696 [0,2,0,0,0,0|2,0,0]=4 595 B17R2.3243 Cc1ccc(o1)CCNCc2ccc(o2)C 270004a_100000739271_100000183696 [0,2,0,0,0,0|2,0,0]=4 596 B17R2.3243 Cc1ccc(o1)CCNCc2ccc(o2)Cl 207a_100000739271_100000188459 [0,2,0,0,0,0|2,0,0]=4 597 B17R2.3243 Cc1ccc(o1)CCNCc2ccc(o2)Cl 270004a_100000739271_100000188459 [0,2,0,0,0,0|2,0,0]=4 598 B17R2.3243 Cc1ccc(o1)CCNCc2ccc(o2)I 207a_100000739271_100000186757 [0,2,0,0,0,0|2,0,0]=4 599 B17R2.3246 Cc1ccc(o1)CNCC(O)c2ccco2 207a_100000738650_100000183696 [0,2,0,0,0,0|2,0,0]=4 600 B17R2.3246 Cc1ccc(o1)CNCC(O)c2ccco2 270004a_100000738650_100000183696 [0,2,0,0,0,0|2,0,0]=4 601 B17R2.3246 OC(CNCc1cc(co1)Br)c2ccco2 270004a_100000738650_100000747035 [0,2,0,0,0,0|2,0,0]=4 602 B17R2.3246 OC(CNCc1ccc(o1)Br)c2ccco2 207a_100000738650_100000185145 [0,2,0,0,0,0|2,0,0]=4 603 B17R2.3246 OC(CNCc1ccc(o1)Br)c2ccco2 270004a_100000738650_100000185145 [0,2,0,0,0,0|2,0,0]=4 604 B17R2.3246 OC(CNCc1ccc(o1)Cl)c2ccco2 207a_100000738650_100000188459 [0,2,0,0,0,0|2,0,0]=4 605 B17R2.3246 OC(CNCc1ccc(o1)Cl)c2ccco2 270004a_100000738650_100000188459 [0,2,0,0,0,0|2,0,0]=4 606 B17R2.3246 OC(CNCc1ccc(o1)I)c2ccco2 207a_100000738650_100000186757 [0,2,0,0,0,0|2,0,0]=4 607 B17R2.3248 CC(Cc1ccco1)NCc2ccc(o2)Br 270004a_100000708654_100011216958 [0,2,0,0,0,0|2,0,0]=4 608 B17R2.3248 Cc1ccc(o1)CNC(=O)Cc2ccco2 11a_100011194323_100011217309 [0,2,0,0,0,0|2,0,0]=4 609 B17R2.3248 Cc1ccc(o1)CNC(=O)Cc2ccco2 527a_100011194323_100011217309 [0,2,0,0,0,0|2,0,0]=4 610 B17R2.3248 Cc1ccc(o1)CNC(C)Cc2ccco2 270004a_100011194323_100011216958 [0,2,0,0,0,0|2,0,0]=4 611 B17R2.3248 O=C(Cc1ccco1)NCc2ccc(o2)Br 11a_100000708654_100011217309 [0,2,0,0,0,0|2,0,0]=4 612 B17R2.3248 O=C(Cc1ccco1)NCc2ccc(o2)Br 527a_100000708654_100011217309 [0,2,0,0,0,0|2,0,0]=4 613 B17R2.18609 Cc1ccc(o1)CCNCc2occc2Br 270004a_100000739271_100000756499 [0,2,0,0,0,0|2,0,0]=4 614 B17R2.18609 Cc1ccc(o1)CCNCc2occc2C 207a_100000739271_100000763527 [0,2,0,0,0,0|2,0,0]=4 615 B17R2.18609 Cc1ccc(o1)CCNCc2occc2C 270004a_100000739271_100000763527 [0,2,0,0,0,0|2,0,0]=4 616 B17R2.18851 Cc1ccc(o1)C(C)NCCc2ccco2 269862a_100000694680_100000204583 [0,2,0,0,0,0|2,0,0]=4 617 B17R2.19070 Brc1cc(oc1Br)CNCCc2ccco2 207a_100000694680_100000188521 [0,2,0,0,0,0|2,0,0]=4 618 B17R2.19070 Brc1cc(oc1Br)CNCCc2ccco2 270004a_100000694680_100000188521 [0,2,0,0,0,0|2,0,0]=4 619 B17R2.2852 COc1ccoc1CNCCc2ccco2 207a_100000694680_200009856553 [0,2,0,0,0,0|2,0,0]=4 620 B17R2.2852 COc1ccoc1CNCCc2ccco2 270004a_100000694680_200009856553 [0,2,0,0,0,0|2,0,0]=4 621 B17R2.3518 Cc1ccoc1CNCC(O)c2ccco2 207a_100000738650_100000763527 [0,2,0,0,0,0|2,0,0]=4 622 B17R2.3518 Cc1ccoc1CNCC(O)c2ccco2 270004a_100000738650_100000763527 [0,2,0,0,0,0|2,0,0]=4 623 B17R2.3518 OC(CNCc1occc1Br)c2ccco2 270004a_100000738650_100000756499 [0,2,0,0,0,0|2,0,0]=4 624 B17R2.5726 CC(Cc1ccco1)N(C)Cc2ccco2 270004a_100000185268_100011216958 [0,2,0,0,0,0|2,0,0]=4 625 B17R2.5726 CN(Cc1ccco1)C(=O)Cc2ccco2 11a_100000185268_100011217309 [0,2,0,0,0,0|2,0,0]=4 626 B17R2.5726 CN(Cc1ccco1)C(=O)Cc2ccco2 527a_100000185268_100011217309 [0,2,0,0,0,0|2,0,0]=4 627 B17R2.5728 CC(Cc1ccco1)N[C@H](C)c2ccco2 270004a_100160469435_100011216958 [0,2,0,0,0,0|2,0,0]=4 628 B17R2.5728 C[C@@H](NC(=O)Cc1ccco1)c2ccco2 11a_100160469435_100011217309 [0,2,0,0,0,0|2,0,0]=4 629 B17R2.5728 C[C@@H](NC(=O)Cc1ccco1)c2ccco2 527a_100160469435_100011217309 [0,2,0,0,0,0|2,0,0]=4 630 B17R2.17882 CCC(Cc1ccco1)NCc2ccco2 270004a_100000185738_200011996595 [0,2,0,0,0,0|2,0,0]=4 631 B17R2.7421 CCC(NCCc1ccco1)c2ccco2 269862a_100000694680_100000749595 [0,2,0,0,0,0|2,0,0]=4 632 B13R1.404 C=COC(=O)CNCc1ccco1 2230a_100000185738_100000036128 [0,0,1,0,1,0|2,0,0]=4 633 B13R1.404 C=COC(=O)CNCc1ccco1 34a_100000185738_100000036128 [0,0,1,0,1,0|2,0,0]=4 634 B13R1.404 C=COC(=O)COCc1ccco1 34a_100000210059_100000036128 [0,0,1,0,1,0|1,1,0]=4 635 B13R1.404 C=COC(=O)CSCc1ncco1 62a_100000036128_103436540062 [0,0,1,0,1,0|2,0,0]=4 636 B13R1.404 C=COC(=O)CSCc1ncco1 62a_103436540062_100000036128 [0,0,1,0,1,0|2,0,0]=4 637 B13R2.183 c1coc(c1)SCc2c[nH]cn2 62a_100000707719_100009814098 [0,0,0,0,2,0|2,0,0]=4 638 B13R2.183 c1coc(c1)SCc2c[nH]cn2 62a_100009814098_100000707719 [0,0,0,0,2,0|2,0,0]=4 639 B13R2.183 c1coc(c1)SCc2ccn[nH]2 62a_100000728653_100009814098 [0,0,0,0,2,0|2,0,0]=4 640 B13R2.183 c1coc(c1)SCc2ccn[nH]2 62a_100009814098_100000728653 [0,0,0,0,2,0|2,0,0]=4 641 B13R2.183 c1coc(c1)SCc2ccon2 62a_100000234950_100009814098 [0,0,0,0,2,0|2,0,0]=4 642 B13R2.183 c1coc(c1)SCc2ccon2 62a_100009814098_100000234950 [0,0,0,0,2,0|2,0,0]=4 643 B13R2.183 c1coc(c1)SCc2ccsc2 62a_100009814098_100011233845 [0,0,0,0,2,0|2,0,0]=4 644 B13R2.183 c1coc(c1)SCc2ccsc2 62a_100011261437_100009814098 [0,0,0,0,2,0|2,0,0]=4 645 B13R2.183 c1coc(c1)SCc2cncs2 62a_100009814098_100015185245 [0,0,0,0,2,0|1,1,0]=4 646 B13R2.183 c1coc(c1)SCc2cncs2 62a_100015185245_100009814098 [0,0,0,0,2,0|1,1,0]=4 647 B13R2.183 c1coc(c1)SCc2cscn2 62a_100000205941_100009814098 [0,0,0,0,2,0|2,0,0]=4 648 B13R2.183 c1coc(c1)SCc2cscn2 62a_100009814098_100000205941 [0,0,0,0,2,0|2,0,0]=4 649 B13R2.183 c1coc(c1)SCc2ncc[nH]2 62a_100009814098_100016991755 [0,0,0,0,2,0|2,0,0]=4 650 B13R2.183 c1coc(c1)SCc2ncc[nH]2 62a_100016991755_100009814098 [0,0,0,0,2,0|2,0,0]=4 651 B13R2.183 c1coc(c1)SCc2ncco2 62a_100009814098_103436540062 [0,0,0,0,2,0|1,0,0]=3 652 B13R2.183 c1coc(c1)SCc2ncco2 62a_103436540062_100009814098 [0,0,0,0,2,0|1,0,0]=3 653 B13R2.183 c1coc(c1)SCc2nccs2 62a_100009814098_100015184050 [0,0,0,0,2,0|1,1,0]=4 654 B13R2.183 c1coc(c1)SCc2nccs2 62a_100015184050_100009814098 [0,0,0,0,2,0|1,1,0]=4 655 B13R2.183 c1coc(n1)CSc2cnco2 62a_100020591547_103436540062 [0,0,0,0,2,0|2,0,0]=4 656 B13R2.183 c1coc(n1)CSc2cnco2 62a_103436540062_100020591547 [0,0,0,0,2,0|2,0,0]=4 657 B13R2.183 c1coc(n1)CSc2ncco2 62a_100011787736_103436540062 [0,0,0,0,2,0|2,0,0]=4 658 B13R2.183 c1coc(n1)CSc2ncco2 62a_103436540062_100011787736 [0,0,0,0,2,0|2,0,0]=4 659 B13R2.183 c1csc(c1)SCc2ncco2 62a_100011215356_103436540062 [0,0,0,0,2,0|1,1,0]=4 660 B13R2.183 c1csc(c1)SCc2ncco2 62a_103436540062_100011215356 [0,0,0,0,2,0|1,1,0]=4 661 B17R2.2381 C(=Cc1ccco1)CNCCc2ccco2 270004a_100000694680_100000185671 [0,0,0,0,0,2|2,0,0]=4 662 B17R2.2381 c1coc(c1)CNCCSCc2ccco2 207a_100000184675_100000186105 [0,0,0,0,0,2|1,0,0]=3 663 B17R2.2381 c1coc(c1)CNCCSCc2ccco2 270004a_100000184675_100000186105 [0,0,0,0,0,2|1,0,0]=3 664 B17R2.2381 c1coc(c1)CSCCNCc2cccs2 207a_100000184675_100000209959 [0,0,0,0,0,2|1,1,0]=4 665 B17R2.2381 c1coc(c1)CSCCNCc2cccs2 270004a_100000184675_100000209959 [0,0,0,0,0,2|1,1,0]=4 666 B17R2.2381 c1coc(c1)CSCCNCc2cnco2 270004a_100000184675_100000064291 [0,0,0,0,0,2|2,0,0]=4 667 B17R2.2381 c1coc(c1)CSCCNCc2ncco2 2230a_100000184675_103436540062 [0,0,0,0,0,2|2,0,0]=4 668 B17R2.2381 c1coc(c1)CSCCNCc2ncco2 270004a_100000184675_100000064290 [0,0,0,0,0,2|2,0,0]=4 669 B17R2.2381 c1coc(c1)CSCCNCc2ncco2 7a_100000184675_103436540062 [0,0,0,0,0,2|2,0,0]=4 670 B17R2.2383 c1ccc(cc1)CSCCSc2ccco2 62a_100009814098_200011297719 [0,0,0,0,0,2|2,0,0]=4 671 B17R2.2383 c1ccc(cc1)CSCCSc2ccco2 62a_200011297719_100009814098 [0,0,0,0,0,2|2,0,0]=4 672 B17R2.2383 c1ccc(cc1)CSCNCc2ccco2 2230a_100000185738_200011217039 [0,0,0,0,0,2|2,0,0]=4 673 B17R2.2383 c1ccc(cc1)CSCNCc2ccco2 34a_100000185738_200011217039 [0,0,0,0,0,2|2,0,0]=4 674 B17R2.2383 c1ccc(cc1)CSCOCc2ccco2 34a_100000210059_200011217039 [0,0,0,0,0,2|1,1,0]=4 675 B17R2.2383 c1ccc(cc1)CSCSCc2ncco2 62a_103436540062_200011217039 [0,0,0,0,0,2|2,0,0]=4 676 B17R2.2383 c1ccc(cc1)CSCSCc2ncco2 62a_200011217039_103436540062 [0,0,0,0,0,2|2,0,0]=4 677 B17R2.2383 c1cnc(nc1)NCCSCc2ccco2 27a_100000184675_100000211032 [0,0,0,0,0,2|2,0,0]=4 678 B17R2.2383 c1cnnc(c1)NCCSCc2ccco2 27a_100000184675_100016991348 [0,0,0,0,0,2|2,0,0]=4 679 B17R2.2383 c1coc(c1)CSCCNc2ccncn2 27a_100000184675_100000703185 [0,0,0,0,0,2|2,0,0]=4 680 B17R2.2383 c1coc(c1)CSCCNc2cnccn2 27a_100000184675_100000211759 [0,0,0,0,0,2|2,0,0]=4