0 B18R3.11 c1ccc2c(c1)CCC[C@@H]2Nc3ncns3 27a_100020654734_100000693119 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.2192 C=CCN(Cc1c[nH]cn1)c2ccccc2 2230a_100000211662_100000707719 [0,0,1,0,0,0|0,0,2]=3 2 B17R2.2192 C=CCN(Cc1c[nH]cn1)c2ccccc2 269982a_100000211662_100000707719 [0,0,1,0,0,0|0,0,2]=3 3 B17R2.2192 C=CCN(Cc1c[nH]cn1)c2ccccc2 34a_100000211662_100000707719 [0,0,1,0,0,0|0,0,2]=3 4 B17R2.2192 C=CCN(Cc1cscn1)c2ccccc2 2230a_100000211662_100000205941 [0,0,1,0,0,0|1,0,2]=4 5 B17R2.2192 C=CCN(Cc1cscn1)c2ccccc2 269982a_100000211662_100000205941 [0,0,1,0,0,0|1,0,2]=4 6 B17R2.2192 C=CCN(Cc1cscn1)c2ccccc2 34a_100000211662_100000205941 [0,0,1,0,0,0|1,0,2]=4 7 B17R2.2192 CCCN(CC1=NCCN1)c2ccccc2 269982a_200011218496_100000737910 [0,0,1,0,0,0|2,0,1]=4 8 B17R2.2192 CCCN(CC1=NCCN1)c2ccccc2 34a_200011218496_100000737910 [0,0,1,0,0,0|2,0,1]=4 9 B17R2.2192 CCCN(Cc1c[nH]cn1)c2ccccc2 2230a_200011218496_100000707719 [0,0,1,0,0,0|0,0,0]=1 10 B17R2.2192 CCCN(Cc1c[nH]cn1)c2ccccc2 269982a_200011218496_100000707719 [0,0,1,0,0,0|0,0,0]=1 11 B17R2.2192 CCCN(Cc1c[nH]cn1)c2ccccc2 34a_200011218496_100000707719 [0,0,1,0,0,0|0,0,0]=1 12 B17R2.2192 CCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000210303 [0,0,1,0,0,0|2,0,0]=3 13 B17R2.2192 CCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000210303 [0,0,1,0,0,0|2,0,0]=3 14 B17R2.2192 CCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100000210303 [0,0,1,0,0,0|2,0,0]=3 15 B17R2.2192 CCCN(Cc1ccn[nH]1)c2ccccc2 2230a_200011218496_100000728653 [0,0,1,0,0,0|2,0,1]=4 16 B17R2.2192 CCCN(Cc1ccn[nH]1)c2ccccc2 269982a_200011218496_100000728653 [0,0,1,0,0,0|2,0,1]=4 17 B17R2.2192 CCCN(Cc1ccn[nH]1)c2ccccc2 34a_200011218496_100000728653 [0,0,1,0,0,0|2,0,1]=4 18 B17R2.2192 CCCN(Cc1ccon1)c2ccccc2 2230a_200011218496_100000234950 [0,0,1,0,0,0|2,0,0]=3 19 B17R2.2192 CCCN(Cc1ccon1)c2ccccc2 269982a_200011218496_100000234950 [0,0,1,0,0,0|2,0,0]=3 20 B17R2.2192 CCCN(Cc1ccon1)c2ccccc2 34a_200011218496_100000234950 [0,0,1,0,0,0|2,0,0]=3 21 B17R2.2192 CCCN(Cc1ccsc1)c2ccccc2 2230a_200011218496_100011261437 [0,0,1,0,0,0|2,0,0]=3 22 B17R2.2192 CCCN(Cc1ccsc1)c2ccccc2 269982a_200011218496_100011233845 [0,0,1,0,0,0|2,0,0]=3 23 B17R2.2192 CCCN(Cc1ccsc1)c2ccccc2 34a_200011218496_100011261437 [0,0,1,0,0,0|2,0,0]=3 24 B17R2.2192 CCCN(Cc1cncs1)c2ccccc2 2230a_200011218496_100015185245 [0,0,1,0,0,0|1,0,1]=3 25 B17R2.2192 CCCN(Cc1cncs1)c2ccccc2 269982a_200011218496_100015185245 [0,0,1,0,0,0|1,0,1]=3 26 B17R2.2192 CCCN(Cc1cncs1)c2ccccc2 34a_200011218496_100015185245 [0,0,1,0,0,0|1,0,1]=3 27 B17R2.2192 CCCN(Cc1cscn1)c2ccccc2 2230a_200011218496_100000205941 [0,0,1,0,0,0|1,0,0]=2 28 B17R2.2192 CCCN(Cc1cscn1)c2ccccc2 269982a_200011218496_100000205941 [0,0,1,0,0,0|1,0,0]=2 29 B17R2.2192 CCCN(Cc1cscn1)c2ccccc2 34a_200011218496_100000205941 [0,0,1,0,0,0|1,0,0]=2 30 B17R2.2192 CCCN(Cc1ncc[nH]1)c2ccccc2 2230a_200011218496_100016991755 [0,0,1,0,0,0|2,0,0]=3 31 B17R2.2192 CCCN(Cc1ncc[nH]1)c2ccccc2 269982a_200011218496_100016991755 [0,0,1,0,0,0|2,0,0]=3 32 B17R2.2192 CCCN(Cc1ncc[nH]1)c2ccccc2 34a_200011218496_100016991755 [0,0,1,0,0,0|2,0,0]=3 33 B17R2.2192 CCCN(Cc1ncco1)c2ccccc2 2230a_200011218496_103436540062 [0,0,1,0,0,0|2,0,0]=3 34 B17R2.2192 CCCN(Cc1ncco1)c2ccccc2 269982a_200011218496_103436540062 [0,0,1,0,0,0|2,0,0]=3 35 B17R2.2192 CCCN(Cc1ncco1)c2ccccc2 34a_200011218496_103436540062 [0,0,1,0,0,0|2,0,0]=3 36 B17R2.2192 CCCN(Cc1nccs1)c2ccccc2 2230a_200011218496_100015184050 [0,0,1,0,0,0|2,0,0]=3 37 B17R2.2192 CCCN(Cc1nccs1)c2ccccc2 269982a_200011218496_100015184050 [0,0,1,0,0,0|2,0,0]=3 38 B17R2.2192 CCCN(Cc1nccs1)c2ccccc2 34a_200011218496_100015184050 [0,0,1,0,0,0|2,0,0]=3 39 B17R2.2192 CCCN(Cc1ncon1)c2ccccc2 269982a_200011218496_100000233494 [0,0,1,0,0,0|2,0,0]=3 40 B17R2.2192 CCCN(Cc1ncon1)c2ccccc2 34a_200011218496_100000233494 [0,0,1,0,0,0|2,0,0]=3 41 B17R2.2192 CCCN(Cc1nnn[nH]1)c2ccccc2 269982a_200011218496_100000765167 [0,0,1,0,0,0|2,0,1]=4 42 B17R2.2192 CCCN(Cc1nnn[nH]1)c2ccccc2 34a_200011218496_100000765167 [0,0,1,0,0,0|2,0,1]=4 43 B17R2.2192 CCCN(Cn1cncn1)c2ccccc2 2230a_200011218496_200020645497 [0,0,1,0,0,0|1,0,1]=3 44 B17R2.2192 CCCN(Cn1cncn1)c2ccccc2 269982a_200011218496_200020645497 [0,0,1,0,0,0|1,0,1]=3 45 B17R2.2192 CCCN(Cn1cncn1)c2ccccc2 34a_200011218496_200020645497 [0,0,1,0,0,0|1,0,1]=3 46 B17R2.2192 COCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000766300 [0,0,1,0,0,0|3,0,0]=4 47 B17R2.2192 COCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000766300 [0,0,1,0,0,0|3,0,0]=4 48 B17R2.2192 CSCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100011218213 [0,0,1,0,0,0|3,0,0]=4 49 B17R2.2192 CSCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100011218213 [0,0,1,0,0,0|3,0,0]=4 50 B17R2.2192 CSCN(Cc1ccco1)c2ccccc2 34a_100000230375_100011218213 [0,0,1,0,0,0|3,0,0]=4 51 B17R2.2192 ClCCC(Sc1c[nH]cn1)c2ccccc2 62a_100000756875_200010132975 [0,0,1,0,0,0|3,0,0]=4 52 B17R2.2192 ClCCC(Sc1c[nH]cn1)c2ccccc2 62a_200010132975_100000756875 [0,0,1,0,0,0|3,0,0]=4 53 B17R2.2192 FCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100011217306 [0,0,1,0,0,0|3,0,0]=4 54 B17R2.2192 FCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100011217306 [0,0,1,0,0,0|3,0,0]=4 55 B17R2.2192 FCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100011217306 [0,0,1,0,0,0|3,0,0]=4 56 B17R2.2192 OCCN(Cc1c[nH]cn1)c2ccccc2 2230a_100000211345_100000707719 [0,0,1,0,0,0|1,0,0]=2 57 B17R2.2192 OCCN(Cc1c[nH]cn1)c2ccccc2 269982a_100000211345_100000707719 [0,0,1,0,0,0|1,0,0]=2 58 B17R2.2192 OCCN(Cc1c[nH]cn1)c2ccccc2 34a_100000211345_100000707719 [0,0,1,0,0,0|1,0,0]=2 59 B17R2.2192 OCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000211926 [0,0,1,0,0,0|3,0,0]=4 60 B17R2.2192 OCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000211926 [0,0,1,0,0,0|3,0,0]=4 61 B17R2.2192 OCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100000211926 [0,0,1,0,0,0|3,0,0]=4 62 B17R2.2192 OCCN(Cc1ccon1)c2ccccc2 2230a_100000211345_100000234950 [0,0,1,0,0,0|3,0,0]=4 63 B17R2.2192 OCCN(Cc1ccon1)c2ccccc2 269982a_100000211345_100000234950 [0,0,1,0,0,0|3,0,0]=4 64 B17R2.2192 OCCN(Cc1ccon1)c2ccccc2 34a_100000211345_100000234950 [0,0,1,0,0,0|3,0,0]=4 65 B17R2.2192 OCCN(Cc1ccsc1)c2ccccc2 2230a_100000211345_100011261437 [0,0,1,0,0,0|3,0,0]=4 66 B17R2.2192 OCCN(Cc1ccsc1)c2ccccc2 269982a_100000211345_100011233845 [0,0,1,0,0,0|3,0,0]=4 67 B17R2.2192 OCCN(Cc1ccsc1)c2ccccc2 34a_100000211345_100011261437 [0,0,1,0,0,0|3,0,0]=4 68 B17R2.2192 OCCN(Cc1cncs1)c2ccccc2 2230a_100000211345_100015185245 [0,0,1,0,0,0|2,0,1]=4 69 B17R2.2192 OCCN(Cc1cncs1)c2ccccc2 269982a_100000211345_100015185245 [0,0,1,0,0,0|2,0,1]=4 70 B17R2.2192 OCCN(Cc1cncs1)c2ccccc2 34a_100000211345_100015185245 [0,0,1,0,0,0|2,0,1]=4 71 B17R2.2192 OCCN(Cc1cscn1)c2ccccc2 2230a_100000211345_100000205941 [0,0,1,0,0,0|2,0,0]=3 72 B17R2.2192 OCCN(Cc1cscn1)c2ccccc2 269982a_100000211345_100000205941 [0,0,1,0,0,0|2,0,0]=3 73 B17R2.2192 OCCN(Cc1cscn1)c2ccccc2 34a_100000211345_100000205941 [0,0,1,0,0,0|2,0,0]=3 74 B17R2.2192 OCCN(Cc1ncc[nH]1)c2ccccc2 2230a_100000211345_100016991755 [0,0,1,0,0,0|3,0,0]=4 75 B17R2.2192 OCCN(Cc1ncc[nH]1)c2ccccc2 269982a_100000211345_100016991755 [0,0,1,0,0,0|3,0,0]=4 76 B17R2.2192 OCCN(Cc1ncc[nH]1)c2ccccc2 34a_100000211345_100016991755 [0,0,1,0,0,0|3,0,0]=4 77 B17R2.2192 OCCN(Cc1ncco1)c2ccccc2 2230a_100000211345_103436540062 [0,0,1,0,0,0|3,0,0]=4 78 B17R2.2192 OCCN(Cc1ncco1)c2ccccc2 269982a_100000211345_103436540062 [0,0,1,0,0,0|3,0,0]=4 79 B17R2.2192 OCCN(Cc1ncco1)c2ccccc2 34a_100000211345_103436540062 [0,0,1,0,0,0|3,0,0]=4 80 B17R2.2192 OCCN(Cc1nccs1)c2ccccc2 2230a_100000211345_100015184050 [0,0,1,0,0,0|3,0,0]=4 81 B17R2.2192 OCCN(Cc1nccs1)c2ccccc2 269982a_100000211345_100015184050 [0,0,1,0,0,0|3,0,0]=4 82 B17R2.2192 OCCN(Cc1nccs1)c2ccccc2 34a_100000211345_100015184050 [0,0,1,0,0,0|3,0,0]=4 83 B17R2.2192 OCCN(Cc1ncon1)c2ccccc2 269982a_100000211345_100000233494 [0,0,1,0,0,0|3,0,0]=4 84 B17R2.2192 OCCN(Cc1ncon1)c2ccccc2 34a_100000211345_100000233494 [0,0,1,0,0,0|3,0,0]=4 85 B17R2.2192 OCCN(Cn1cncn1)c2ccccc2 2230a_100000211345_200020645497 [0,0,1,0,0,0|2,0,1]=4 86 B17R2.2192 OCCN(Cn1cncn1)c2ccccc2 269982a_100000211345_200020645497 [0,0,1,0,0,0|2,0,1]=4 87 B17R2.2192 OCCN(Cn1cncn1)c2ccccc2 34a_100000211345_200020645497 [0,0,1,0,0,0|2,0,1]=4 88 B17R2.2383 C(#Cc1ccccc1)CNCc2c[nH]cn2 34a_100000735379_100000707719 [0,0,1,0,0,0|0,0,2]=3 89 B17R2.2383 C(#Cc1ccccc1)CNCc2cscn2 2230a_100015185402_100011352542 [0,0,1,0,0,0|1,0,2]=4 90 B17R2.2383 C(#Cc1ccccc1)CNCc2cscn2 34a_100000735379_100000205941 [0,0,1,0,0,0|1,0,2]=4 91 B17R2.2383 C(#Cc1ccccc1)COCc2c[nH]cn2 34a_100011217464_100000707719 [0,0,1,0,0,0|1,0,2]=4 92 B17R2.2383 C(#Cc1ccccc1)CSCc2c[nH]cn2 62a_100000707719_100011352542 [0,0,1,0,0,0|1,0,2]=4 93 B17R2.2383 C(=C/c1ccccc1)\CNCc2c[nH]cn2 2230a_100020603302_100000707719 [0,0,1,0,0,0|0,0,2]=3 94 B17R2.2383 C(=C/c1ccccc1)\CNCc2c[nH]cn2 34a_100020603302_100000707719 [0,0,1,0,0,0|0,0,2]=3 95 B17R2.2383 C(=C/c1ccccc1)\CNCc2cocn2 270004a_100020603302_100000050382 [0,0,1,0,0,0|1,0,2]=4 96 B17R2.2383 C(=C/c1ccccc1)\CNCc2cscn2 2230a_100015185402_100016265936 [0,0,1,0,0,0|1,0,2]=4 97 B17R2.2383 C(=C/c1ccccc1)\CNCc2cscn2 2230a_100020603302_100000205941 [0,0,1,0,0,0|1,0,2]=4 98 B17R2.2383 C(=C/c1ccccc1)\CNCc2cscn2 270004a_100020603302_100000743575 [0,0,1,0,0,0|1,0,2]=4 99 B17R2.2383 C(=C/c1ccccc1)\CNCc2cscn2 34a_100020603302_100000205941 [0,0,1,0,0,0|1,0,2]=4 100 B17R2.2383 C(=C/c1ccccc1)\COCc2c[nH]cn2 34a_100000210256_100000707719 [0,0,1,0,0,0|1,0,2]=4 101 B17R2.2383 C(=C/c1ccccc1)\CSCc2c[nH]cn2 62a_100000707719_100016265936 [0,0,1,0,0,0|1,0,2]=4 102 B17R2.2383 C(=C/c1ccccc1)\CSCc2c[nH]cn2 62a_100016265936_100000707719 [0,0,1,0,0,0|1,0,2]=4 103 B17R2.2383 C(=Cc1c[nH]cn1)COCc2ccccc2 271570a_200011106559_100000756875 [0,0,1,0,0,0|2,0,1]=4 104 B17R2.2383 C(=Cc1ccccc1)CNCc2c[nH]nn2 270004a_100020620823_100000210105 [0,0,1,0,0,0|1,0,2]=4 105 B17R2.2383 C(=Cc1ccccc1)CNCc2cocn2 270004a_100015188801_100000210105 [0,0,1,0,0,0|1,0,2]=4 106 B17R2.2383 C1=CCC(=CC1)CCCOCc2c[nH]cn2 34a_100020667889_100000707719 [0,0,1,0,0,0|1,0,2]=4 107 B17R2.2383 c1cc(ccn1)CCCCSc2c[nH]cn2 62a_100000756875_100020630000 [0,0,1,0,0,0|3,0,0]=4 108 B17R2.2383 c1cc(ccn1)CCCCSc2c[nH]cn2 62a_100020630000_100000756875 [0,0,1,0,0,0|3,0,0]=4 109 B17R2.2383 c1cc(ccn1)CCCNCc2c[nH]cn2 2230a_100011275580_100000707719 [0,0,1,0,0,0|1,0,0]=2 110 B17R2.2383 c1cc(ccn1)CCCNCc2cc[nH]n2 207a_100011275580_100000738523 [0,0,1,0,0,0|3,0,0]=4 111 B17R2.2383 c1cc(ccn1)CCCNCc2cc[nH]n2 270004a_100011275580_100000738523 [0,0,1,0,0,0|3,0,0]=4 112 B17R2.2383 c1cc(ccn1)CCCNCc2ccoc2 207a_100011275580_100011215517 [0,0,1,0,0,0|3,0,0]=4 113 B17R2.2383 c1cc(ccn1)CCCNCc2ccoc2 270004a_100011275580_100011215517 [0,0,1,0,0,0|3,0,0]=4 114 B17R2.2383 c1cc(ccn1)CCCNCc2ccon2 2230a_100011275580_100000234950 [0,0,1,0,0,0|3,0,0]=4 115 B17R2.2383 c1cc(ccn1)CCCNCc2ccsc2 207a_100011275580_100000188534 [0,0,1,0,0,0|3,0,0]=4 116 B17R2.2383 c1cc(ccn1)CCCNCc2ccsc2 2230a_100011275580_100011261437 [0,0,1,0,0,0|3,0,0]=4 117 B17R2.2383 c1cc(ccn1)CCCNCc2ccsc2 270004a_100011275580_100000188534 [0,0,1,0,0,0|3,0,0]=4 118 B17R2.2383 c1cc(ccn1)CCCNCc2cn[nH]c2 207a_100011275580_100016992096 [0,0,1,0,0,0|3,0,0]=4 119 B17R2.2383 c1cc(ccn1)CCCNCc2cn[nH]c2 270004a_100011275580_100016992096 [0,0,1,0,0,0|3,0,0]=4 120 B17R2.2383 c1cc(ccn1)CCCNCc2cnc[nH]2 207a_100011275580_100000742939 [0,0,1,0,0,0|1,0,2]=4 121 B17R2.2383 c1cc(ccn1)CCCNCc2cnco2 270004a_100011275580_100000064291 [0,0,1,0,0,0|2,0,1]=4 122 B17R2.2383 c1cc(ccn1)CCCNCc2cncs2 207a_100011275580_100000749870 [0,0,1,0,0,0|2,0,1]=4 123 B17R2.2383 c1cc(ccn1)CCCNCc2cncs2 2230a_100011275580_100015185245 [0,0,1,0,0,0|2,0,1]=4 124 B17R2.2383 c1cc(ccn1)CCCNCc2cncs2 270004a_100011275580_100000749870 [0,0,1,0,0,0|2,0,1]=4 125 B17R2.2383 c1cc(ccn1)CCCNCc2cocn2 270004a_100011275580_100000050382 [0,0,1,0,0,0|2,0,0]=3 126 B17R2.2383 c1cc(ccn1)CCCNCc2cscn2 207a_100011275580_100000743575 [0,0,1,0,0,0|2,0,0]=3 127 B17R2.2383 c1cc(ccn1)CCCNCc2cscn2 2230a_100011275580_100000205941 [0,0,1,0,0,0|2,0,0]=3 128 B17R2.2383 c1cc(ccn1)CCCNCc2cscn2 270004a_100011275580_100000743575 [0,0,1,0,0,0|2,0,0]=3 129 B17R2.2383 c1cc(ccn1)CCCNCc2csnn2 270004a_100011275580_100000738508 [0,0,1,0,0,0|3,0,0]=4 130 B17R2.2383 c1cc(ccn1)CCCNCc2ncc[nH]2 207a_100011275580_100000743867 [0,0,1,0,0,0|3,0,0]=4 131 B17R2.2383 c1cc(ccn1)CCCNCc2ncc[nH]2 2230a_100011275580_100016991755 [0,0,1,0,0,0|3,0,0]=4 132 B17R2.2383 c1cc(ccn1)CCCNCc2ncco2 2230a_100011275580_103436540062 [0,0,1,0,0,0|3,0,0]=4 133 B17R2.2383 c1cc(ccn1)CCCNCc2ncco2 270004a_100011275580_100000064290 [0,0,1,0,0,0|3,0,0]=4 134 B17R2.2383 c1cc(ccn1)CCCNCc2nccs2 207a_100011275580_100000750902 [0,0,1,0,0,0|3,0,0]=4 135 B17R2.2383 c1cc(ccn1)CCCNCc2nccs2 2230a_100011275580_100015184050 [0,0,1,0,0,0|3,0,0]=4 136 B17R2.2383 c1cc(ccn1)CCCNCc2nccs2 270004a_100011275580_100000750902 [0,0,1,0,0,0|3,0,0]=4 137 B17R2.2383 c1cc(ccn1)CCCNCn2cncn2 2230a_100011275580_200020645497 [0,0,1,0,0,0|2,0,1]=4 138 B17R2.2383 c1cc(ccn1)CCCOCc2c[nH]cn2 34a_100000210659_100000707719 [0,0,1,0,0,0|2,0,0]=3 139 B17R2.2383 c1cc(ccn1)CCCOCc2cscn2 34a_100000210659_100000205941 [0,0,1,0,0,0|3,0,0]=4 140 B17R2.2383 c1cc(ccn1)CCSCCc2c[nH]cn2 62a_100000723409_100020628418 [0,0,1,0,0,0|3,0,0]=4 141 B17R2.2383 c1cc(ccn1)CCSCCc2c[nH]cn2 62a_100020628418_100000723409 [0,0,1,0,0,0|3,0,0]=4 142 B17R2.2383 c1cc(ccn1)NCCOCc2c[nH]cn2 34a_200011243140_100000707719 [0,0,1,0,0,0|3,0,0]=4 143 B17R2.2383 c1cc(ccn1)OCCNCc2cocn2 270004a_100025717301_100000050382 [0,0,1,0,0,0|3,0,0]=4 144 B17R2.2383 c1cc(ccn1)OCCNCc2cscn2 207a_100025717301_100000743575 [0,0,1,0,0,0|3,0,0]=4 145 B17R2.2383 c1cc(ccn1)OCCNCc2cscn2 270004a_100025717301_100000743575 [0,0,1,0,0,0|3,0,0]=4 146 B17R2.2383 c1ccc(cc1)CCCCSc2c[nH]cn2 62a_100000701786_100000756875 [0,0,1,0,0,0|2,0,0]=3 147 B17R2.2383 c1ccc(cc1)CCCCSc2c[nH]cn2 62a_100000756875_100000701786 [0,0,1,0,0,0|2,0,0]=3 148 B17R2.2383 c1ccc(cc1)CCCCSc2c[nH]nn2 62a_100000701786_100009819707 [0,0,1,0,0,0|3,0,0]=4 149 B17R2.2383 c1ccc(cc1)CCCCSc2c[nH]nn2 62a_100009819707_100000701786 [0,0,1,0,0,0|3,0,0]=4 150 B17R2.2383 c1ccc(cc1)CCCCSc2cscn2 62a_100000701786_100000751502 [0,0,1,0,0,0|3,0,0]=4 151 B17R2.2383 c1ccc(cc1)CCCCSc2cscn2 62a_100000751502_100000701786 [0,0,1,0,0,0|3,0,0]=4 152 B17R2.2383 c1ccc(cc1)CCCCSc2nc[nH]n2 62a_100000701786_100000761765 [0,0,1,0,0,0|3,0,0]=4 153 B17R2.2383 c1ccc(cc1)CCCCSc2nc[nH]n2 62a_100000761765_100000701786 [0,0,1,0,0,0|3,0,0]=4 154 B17R2.2383 c1ccc(cc1)CCCNCC2=NCCN2 34a_100000211184_100000737910 [0,0,1,0,0,0|2,0,1]=4 155 B17R2.2383 c1ccc(cc1)CCCNCc2c[nH]cn2 2230a_100000211184_100000707719 [0,0,1,0,0,0|0,0,0]=1 156 B17R2.2383 c1ccc(cc1)CCCNCc2c[nH]cn2 34a_100000211184_100000707719 [0,0,1,0,0,0|0,0,0]=1 157 B17R2.2383 c1ccc(cc1)CCCNCc2cc[nH]n2 207a_100000211184_100000738523 [0,0,1,0,0,0|2,0,0]=3 158 B17R2.2383 c1ccc(cc1)CCCNCc2cc[nH]n2 270004a_100000211184_100000738523 [0,0,1,0,0,0|2,0,0]=3 159 B17R2.2383 c1ccc(cc1)CCCNCc2ccco2 207a_100000211184_100000186105 [0,0,1,0,0,0|2,0,0]=3 160 B17R2.2383 c1ccc(cc1)CCCNCc2ccco2 2230a_100000185738_100000211621 [0,0,1,0,0,0|2,0,0]=3 161 B17R2.2383 c1ccc(cc1)CCCNCc2ccco2 270004a_100000211184_100000186105 [0,0,1,0,0,0|2,0,0]=3 162 B17R2.2383 c1ccc(cc1)CCCNCc2ccco2 34a_100000185738_100000211621 [0,0,1,0,0,0|2,0,0]=3 163 B17R2.2383 c1ccc(cc1)CCCNCc2cccs2 207a_100000211184_100000209959 [0,0,1,0,0,0|2,0,0]=3 164 B17R2.2383 c1ccc(cc1)CCCNCc2cccs2 2230a_100000211653_100000211621 [0,0,1,0,0,0|2,0,0]=3 165 B17R2.2383 c1ccc(cc1)CCCNCc2cccs2 270004a_100000211184_100000209959 [0,0,1,0,0,0|2,0,0]=3 166 B17R2.2383 c1ccc(cc1)CCCNCc2ccn[nH]2 2230a_100000211184_100000728653 [0,0,1,0,0,0|2,0,1]=4 167 B17R2.2383 c1ccc(cc1)CCCNCc2ccn[nH]2 34a_100000211184_100000728653 [0,0,1,0,0,0|2,0,1]=4 168 B17R2.2383 c1ccc(cc1)CCCNCc2ccoc2 207a_100000211184_100011215517 [0,0,1,0,0,0|2,0,0]=3 169 B17R2.2383 c1ccc(cc1)CCCNCc2ccoc2 2230a_100015206860_100000211621 [0,0,1,0,0,0|2,0,0]=3 170 B17R2.2383 c1ccc(cc1)CCCNCc2ccoc2 270004a_100000211184_100011215517 [0,0,1,0,0,0|2,0,0]=3 171 B17R2.2383 c1ccc(cc1)CCCNCc2ccoc2 34a_100015206860_100000211621 [0,0,1,0,0,0|2,0,0]=3 172 B17R2.2383 c1ccc(cc1)CCCNCc2ccon2 2230a_100000211184_100000234950 [0,0,1,0,0,0|2,0,0]=3 173 B17R2.2383 c1ccc(cc1)CCCNCc2ccon2 34a_100000211184_100000234950 [0,0,1,0,0,0|2,0,0]=3 174 B17R2.2383 c1ccc(cc1)CCCNCc2ccsc2 207a_100000211184_100000188534 [0,0,1,0,0,0|2,0,0]=3 175 B17R2.2383 c1ccc(cc1)CCCNCc2ccsc2 2230a_100000186416_100000211621 [0,0,1,0,0,0|2,0,0]=3 176 B17R2.2383 c1ccc(cc1)CCCNCc2ccsc2 2230a_100000211184_100011261437 [0,0,1,0,0,0|2,0,0]=3 177 B17R2.2383 c1ccc(cc1)CCCNCc2ccsc2 270004a_100000211184_100000188534 [0,0,1,0,0,0|2,0,0]=3 178 B17R2.2383 c1ccc(cc1)CCCNCc2ccsc2 34a_100000186416_100000211621 [0,0,1,0,0,0|2,0,0]=3 179 B17R2.2383 c1ccc(cc1)CCCNCc2ccsc2 34a_100000211184_100011261437 [0,0,1,0,0,0|2,0,0]=3 180 B17R2.2383 c1ccc(cc1)CCCNCc2cn[nH]c2 207a_100000211184_100016992096 [0,0,1,0,0,0|2,0,0]=3 181 B17R2.2383 c1ccc(cc1)CCCNCc2cn[nH]c2 270004a_100000211184_100016992096 [0,0,1,0,0,0|2,0,0]=3 182 B17R2.2383 c1ccc(cc1)CCCNCc2cnc[nH]2 207a_100000211184_100000742939 [0,0,1,0,0,0|0,0,2]=3 183 B17R2.2383 c1ccc(cc1)CCCNCc2cnco2 270004a_100000211184_100000064291 [0,0,1,0,0,0|1,0,1]=3 184 B17R2.2383 c1ccc(cc1)CCCNCc2cncs2 207a_100000211184_100000749870 [0,0,1,0,0,0|1,0,1]=3 185 B17R2.2383 c1ccc(cc1)CCCNCc2cncs2 2230a_100000211184_100015185245 [0,0,1,0,0,0|1,0,1]=3 186 B17R2.2383 c1ccc(cc1)CCCNCc2cncs2 2230a_100016987365_100000211621 [0,0,1,0,0,0|1,0,1]=3 187 B17R2.2383 c1ccc(cc1)CCCNCc2cncs2 270004a_100000211184_100000749870 [0,0,1,0,0,0|1,0,1]=3 188 B17R2.2383 c1ccc(cc1)CCCNCc2cncs2 34a_100000211184_100015185245 [0,0,1,0,0,0|1,0,1]=3 189 B17R2.2383 c1ccc(cc1)CCCNCc2cocn2 270004a_100000211184_100000050382 [0,0,1,0,0,0|1,0,0]=2 190 B17R2.2383 c1ccc(cc1)CCCNCc2cscn2 207a_100000211184_100000743575 [0,0,1,0,0,0|1,0,0]=2 191 B17R2.2383 c1ccc(cc1)CCCNCc2cscn2 2230a_100000211184_100000205941 [0,0,1,0,0,0|1,0,0]=2 192 B17R2.2383 c1ccc(cc1)CCCNCc2cscn2 2230a_100015185402_100000211621 [0,0,1,0,0,0|1,0,0]=2 193 B17R2.2383 c1ccc(cc1)CCCNCc2cscn2 270004a_100000211184_100000743575 [0,0,1,0,0,0|1,0,0]=2 194 B17R2.2383 c1ccc(cc1)CCCNCc2cscn2 34a_100000211184_100000205941 [0,0,1,0,0,0|1,0,0]=2 195 B17R2.2383 c1ccc(cc1)CCCNCc2csnn2 270004a_100000211184_100000738508 [0,0,1,0,0,0|2,0,0]=3 196 B17R2.2383 c1ccc(cc1)CCCNCc2ncc[nH]2 207a_100000211184_100000743867 [0,0,1,0,0,0|2,0,0]=3 197 B17R2.2383 c1ccc(cc1)CCCNCc2ncc[nH]2 2230a_100000211184_100016991755 [0,0,1,0,0,0|2,0,0]=3 198 B17R2.2383 c1ccc(cc1)CCCNCc2ncc[nH]2 34a_100000211184_100016991755 [0,0,1,0,0,0|2,0,0]=3 199 B17R2.2383 c1ccc(cc1)CCCNCc2ncco2 2230a_100000211184_103436540062 [0,0,1,0,0,0|2,0,0]=3 200 B17R2.2383 c1ccc(cc1)CCCNCc2ncco2 2230a_100016994969_100000211621 [0,0,1,0,0,0|2,0,0]=3 201 B17R2.2383 c1ccc(cc1)CCCNCc2ncco2 270004a_100000211184_100000064290 [0,0,1,0,0,0|2,0,0]=3 202 B17R2.2383 c1ccc(cc1)CCCNCc2ncco2 34a_100000211184_103436540062 [0,0,1,0,0,0|2,0,0]=3 203 B17R2.2383 c1ccc(cc1)CCCNCc2nccs2 207a_100000211184_100000750902 [0,0,1,0,0,0|2,0,0]=3 204 B17R2.2383 c1ccc(cc1)CCCNCc2nccs2 2230a_100000211184_100015184050 [0,0,1,0,0,0|2,0,0]=3 205 B17R2.2383 c1ccc(cc1)CCCNCc2nccs2 2230a_100000740555_100000211621 [0,0,1,0,0,0|2,0,0]=3 206 B17R2.2383 c1ccc(cc1)CCCNCc2nccs2 270004a_100000211184_100000750902 [0,0,1,0,0,0|2,0,0]=3 207 B17R2.2383 c1ccc(cc1)CCCNCc2nccs2 34a_100000211184_100015184050 [0,0,1,0,0,0|2,0,0]=3 208 B17R2.2383 c1ccc(cc1)CCCNCc2ncon2 34a_100000211184_100000233494 [0,0,1,0,0,0|2,0,0]=3 209 B17R2.2383 c1ccc(cc1)CCCNCc2nnc[nH]2 2230a_200015183720_100000211621 [0,0,1,0,0,0|1,0,2]=4 210 B17R2.2383 c1ccc(cc1)CCCNCc2nnn[nH]2 34a_100000211184_100000765167 [0,0,1,0,0,0|2,0,1]=4 211 B17R2.2383 c1ccc(cc1)CCCNCn2cncn2 2230a_100000211184_200020645497 [0,0,1,0,0,0|1,0,1]=3 212 B17R2.2383 c1ccc(cc1)CCCNCn2cncn2 34a_100000211184_200020645497 [0,0,1,0,0,0|1,0,1]=3 213 B17R2.2383 c1ccc(cc1)CCCOCc2c[nH]cn2 34a_100000210828_100000707719 [0,0,1,0,0,0|1,0,0]=2 214 B17R2.2383 c1ccc(cc1)CCCOCc2ccco2 34a_100000210059_100000211621 [0,0,1,0,0,0|3,0,0]=4 215 B17R2.2383 c1ccc(cc1)CCCOCc2cccs2 34a_100000211240_100000211621 [0,0,1,0,0,0|3,0,0]=4 216 B17R2.2383 c1ccc(cc1)CCCOCc2ccoc2 34a_100011215357_100000211621 [0,0,1,0,0,0|3,0,0]=4 217 B17R2.2383 c1ccc(cc1)CCCOCc2ccon2 34a_100000210828_100000234950 [0,0,1,0,0,0|3,0,0]=4 218 B17R2.2383 c1ccc(cc1)CCCOCc2ccon2 7a_100000210828_100000234950 [0,0,1,0,0,0|3,0,0]=4 219 B17R2.2383 c1ccc(cc1)CCCOCc2ccsc2 34a_100000210828_100011261437 [0,0,1,0,0,0|3,0,0]=4 220 B17R2.2383 c1ccc(cc1)CCCOCc2ccsc2 34a_100011215551_100000211621 [0,0,1,0,0,0|3,0,0]=4 221 B17R2.2383 c1ccc(cc1)CCCOCc2ccsc2 7a_100000210828_100011261437 [0,0,1,0,0,0|3,0,0]=4 222 B17R2.2383 c1ccc(cc1)CCCOCc2cncs2 34a_100000210828_100015185245 [0,0,1,0,0,0|2,0,1]=4 223 B17R2.2383 c1ccc(cc1)CCCOCc2cncs2 7a_100000210828_100015185245 [0,0,1,0,0,0|2,0,1]=4 224 B17R2.2383 c1ccc(cc1)CCCOCc2cscn2 34a_100000210828_100000205941 [0,0,1,0,0,0|2,0,0]=3 225 B17R2.2383 c1ccc(cc1)CCCOCc2cscn2 7a_100000210828_100000205941 [0,0,1,0,0,0|2,0,0]=3 226 B17R2.2383 c1ccc(cc1)CCCOCc2ncc[nH]2 34a_100000210828_100016991755 [0,0,1,0,0,0|3,0,0]=4 227 B17R2.2383 c1ccc(cc1)CCCOCc2ncc[nH]2 7a_100000210828_100000753453 [0,0,1,0,0,0|3,0,0]=4 228 B17R2.2383 c1ccc(cc1)CCCOCc2ncco2 34a_100000062594_100000211621 [0,0,1,0,0,0|3,0,0]=4 229 B17R2.2383 c1ccc(cc1)CCCOCc2ncco2 34a_100000210828_103436540062 [0,0,1,0,0,0|3,0,0]=4 230 B17R2.2383 c1ccc(cc1)CCCOCc2ncco2 7a_100000210828_103436540062 [0,0,1,0,0,0|3,0,0]=4 231 B17R2.2383 c1ccc(cc1)CCCOCc2nccs2 34a_100000210828_100015184050 [0,0,1,0,0,0|3,0,0]=4 232 B17R2.2383 c1ccc(cc1)CCCOCc2nccs2 7a_100000210828_100015184050 [0,0,1,0,0,0|3,0,0]=4 233 B17R2.2383 c1ccc(cc1)CCCOCc2ncon2 34a_100000210828_100000233494 [0,0,1,0,0,0|3,0,0]=4 234 B17R2.2383 c1ccc(cc1)CCCOCn2cccn2 34a_100000731028_100000211621 [0,0,1,0,0,0|3,0,0]=4 235 B17R2.2383 c1ccc(cc1)CCCOCn2cncn2 34a_100000210828_200020645497 [0,0,1,0,0,0|2,0,1]=4 236 B17R2.2383 c1ccc(cc1)CCCOCn2cncn2 7a_100000210828_200020645497 [0,0,1,0,0,0|2,0,1]=4 237 B17R2.2383 c1ccc(cc1)CCCSCc2c[nH]cn2 62a_100000211621_100000707719 [0,0,1,0,0,0|1,0,0]=2 238 B17R2.2383 c1ccc(cc1)CCCSCc2c[nH]cn2 62a_100000707719_100000211621 [0,0,1,0,0,0|1,0,0]=2 239 B17R2.2383 c1ccc(cc1)CCCSCc2ccon2 62a_100000211621_100000234950 [0,0,1,0,0,0|3,0,0]=4 240 B17R2.2383 c1ccc(cc1)CCCSCc2ccon2 62a_100000234950_100000211621 [0,0,1,0,0,0|3,0,0]=4 241 B17R2.2383 c1ccc(cc1)CCCSCc2ccsc2 62a_100000211621_100011233845 [0,0,1,0,0,0|3,0,0]=4 242 B17R2.2383 c1ccc(cc1)CCCSCc2ccsc2 62a_100011261437_100000211621 [0,0,1,0,0,0|3,0,0]=4 243 B17R2.2383 c1ccc(cc1)CCCSCc2cncs2 62a_100000211621_100015185245 [0,0,1,0,0,0|2,0,1]=4 244 B17R2.2383 c1ccc(cc1)CCCSCc2cncs2 62a_100015185245_100000211621 [0,0,1,0,0,0|2,0,1]=4 245 B17R2.2383 c1ccc(cc1)CCCSCc2cscn2 62a_100000205941_100000211621 [0,0,1,0,0,0|2,0,0]=3 246 B17R2.2383 c1ccc(cc1)CCCSCc2cscn2 62a_100000211621_100000205941 [0,0,1,0,0,0|2,0,0]=3 247 B17R2.2383 c1ccc(cc1)CCCSCc2ncc[nH]2 62a_100000211621_100016991755 [0,0,1,0,0,0|3,0,0]=4 248 B17R2.2383 c1ccc(cc1)CCCSCc2ncc[nH]2 62a_100016991755_100000211621 [0,0,1,0,0,0|3,0,0]=4 249 B17R2.2383 c1ccc(cc1)CCCSCc2ncco2 62a_100000211621_103436540062 [0,0,1,0,0,0|3,0,0]=4 250 B17R2.2383 c1ccc(cc1)CCCSCc2ncco2 62a_103436540062_100000211621 [0,0,1,0,0,0|3,0,0]=4 251 B17R2.2383 c1ccc(cc1)CCCSCc2nccs2 62a_100000211621_100015184050 [0,0,1,0,0,0|3,0,0]=4 252 B17R2.2383 c1ccc(cc1)CCCSCc2nccs2 62a_100015184050_100000211621 [0,0,1,0,0,0|3,0,0]=4 253 B17R2.2383 c1ccc(cc1)CCCSCc2ncon2 62a_100000211621_100000233494 [0,0,1,0,0,0|3,0,0]=4 254 B17R2.2383 c1ccc(cc1)CCCSCc2ncon2 62a_100000233494_100000211621 [0,0,1,0,0,0|3,0,0]=4 255 B17R2.2383 c1ccc(cc1)CCCSCn2cncn2 62a_100000211621_200020645497 [0,0,1,0,0,0|2,0,1]=4 256 B17R2.2383 c1ccc(cc1)CCCSCn2cncn2 62a_200020645497_100000211621 [0,0,1,0,0,0|2,0,1]=4 257 B17R2.2383 c1ccc(cc1)CCNCCc2c[nH]cn2 2230a_100000106460_100020628418 [0,0,1,0,0,0|2,0,0]=3 258 B17R2.2383 c1ccc(cc1)CCOCCc2c[nH]cn2 7a_100000210268_100020628418 [0,0,1,0,0,0|2,0,0]=3 259 B17R2.2383 c1ccc(cc1)CCSCCc2c[nH]cn2 62a_100000765856_100020628418 [0,0,1,0,0,0|2,0,0]=3 260 B17R2.2383 c1ccc(cc1)CCSCCc2c[nH]cn2 62a_100020628418_100011218657 [0,0,1,0,0,0|2,0,0]=3 261 B17R2.2383 c1ccc(cc1)COCCSc2c[nH]cn2 62a_100000234347_100000756875 [0,0,1,0,0,0|3,0,0]=4 262 B17R2.2383 c1ccc(cc1)COCCSc2c[nH]cn2 62a_100000756875_100000234347 [0,0,1,0,0,0|3,0,0]=4 263 B17R2.2383 c1ccc(cc1)COCNCc2ccco2 2230a_100000185738_100000763385 [0,0,1,0,0,0|3,0,0]=4 264 B17R2.2383 c1ccc(cc1)COCNCc2ccco2 34a_100000185738_100000763385 [0,0,1,0,0,0|3,0,0]=4 265 B17R2.2383 c1ccc(cc1)COCNCc2cccs2 2230a_100000211653_100000763385 [0,0,1,0,0,0|3,0,0]=4 266 B17R2.2383 c1ccc(cc1)COCNCc2ccoc2 2230a_100015206860_100000763385 [0,0,1,0,0,0|3,0,0]=4 267 B17R2.2383 c1ccc(cc1)COCNCc2ccoc2 34a_100015206860_100000763385 [0,0,1,0,0,0|3,0,0]=4 268 B17R2.2383 c1ccc(cc1)COCNCc2ccsc2 2230a_100000186416_100000763385 [0,0,1,0,0,0|3,0,0]=4 269 B17R2.2383 c1ccc(cc1)COCNCc2ccsc2 34a_100000186416_100000763385 [0,0,1,0,0,0|3,0,0]=4 270 B17R2.2383 c1ccc(cc1)COCNCc2cncs2 2230a_100016987365_100000763385 [0,0,1,0,0,0|2,0,1]=4 271 B17R2.2383 c1ccc(cc1)COCNCc2cscn2 2230a_100015185402_100000763385 [0,0,1,0,0,0|2,0,0]=3 272 B17R2.2383 c1ccc(cc1)COCNCc2ncco2 2230a_100016994969_100000763385 [0,0,1,0,0,0|3,0,0]=4 273 B17R2.2383 c1ccc(cc1)COCNCc2nccs2 2230a_100000740555_100000763385 [0,0,1,0,0,0|3,0,0]=4 274 B17R2.2383 c1ccc(cc1)COCSCc2c[nH]cn2 62a_100000707719_100000763385 [0,0,1,0,0,0|2,0,0]=3 275 B17R2.2383 c1ccc(cc1)COCSCc2c[nH]cn2 62a_100000763385_100000707719 [0,0,1,0,0,0|2,0,0]=3 276 B17R2.2383 c1ccc(cc1)COCSCc2cscn2 62a_100000205941_100000763385 [0,0,1,0,0,0|3,0,0]=4 277 B17R2.2383 c1ccc(cc1)COCSCc2cscn2 62a_100000763385_100000205941 [0,0,1,0,0,0|3,0,0]=4 278 B17R2.2383 c1ccc(cc1)CSCCSc2c[nH]cn2 62a_100000756875_200011297719 [0,0,1,0,0,0|3,0,0]=4 279 B17R2.2383 c1ccc(cc1)CSCCSc2c[nH]cn2 62a_200011297719_100000756875 [0,0,1,0,0,0|3,0,0]=4 280 B17R2.2383 c1ccc(cc1)CSCNCc2ccco2 2230a_100000185738_200011217039 [0,0,1,0,0,0|3,0,0]=4 281 B17R2.2383 c1ccc(cc1)CSCNCc2ccco2 34a_100000185738_200011217039 [0,0,1,0,0,0|3,0,0]=4 282 B17R2.2383 c1ccc(cc1)CSCNCc2cccs2 2230a_100000211653_200011217039 [0,0,1,0,0,0|3,0,0]=4 283 B17R2.2383 c1ccc(cc1)CSCNCc2ccoc2 2230a_100015206860_200011217039 [0,0,1,0,0,0|3,0,0]=4 284 B17R2.2383 c1ccc(cc1)CSCNCc2ccoc2 34a_100015206860_200011217039 [0,0,1,0,0,0|3,0,0]=4 285 B17R2.2383 c1ccc(cc1)CSCNCc2ccsc2 2230a_100000186416_200011217039 [0,0,1,0,0,0|3,0,0]=4 286 B17R2.2383 c1ccc(cc1)CSCNCc2ccsc2 34a_100000186416_200011217039 [0,0,1,0,0,0|3,0,0]=4 287 B17R2.2383 c1ccc(cc1)CSCNCc2cncs2 2230a_100016987365_200011217039 [0,0,1,0,0,0|2,0,1]=4 288 B17R2.2383 c1ccc(cc1)CSCNCc2cscn2 2230a_100015185402_200011217039 [0,0,1,0,0,0|2,0,0]=3 289 B17R2.2383 c1ccc(cc1)CSCNCc2ncco2 2230a_100016994969_200011217039 [0,0,1,0,0,0|3,0,0]=4 290 B17R2.2383 c1ccc(cc1)CSCNCc2nccs2 2230a_100000740555_200011217039 [0,0,1,0,0,0|3,0,0]=4 291 B17R2.2383 c1ccc(cc1)CSCSCc2c[nH]cn2 62a_100000707719_200011217039 [0,0,1,0,0,0|2,0,0]=3 292 B17R2.2383 c1ccc(cc1)CSCSCc2c[nH]cn2 62a_200011217039_100000707719 [0,0,1,0,0,0|2,0,0]=3 293 B17R2.2383 c1ccc(cc1)CSCSCc2cscn2 62a_100000205941_200011217039 [0,0,1,0,0,0|3,0,0]=4 294 B17R2.2383 c1ccc(cc1)CSCSCc2cscn2 62a_200011217039_100000205941 [0,0,1,0,0,0|3,0,0]=4 295 B17R2.2383 c1ccc(cc1)NCCOCc2c[nH]cn2 34a_100000211345_100000707719 [0,0,1,0,0,0|2,0,0]=3 296 B17R2.2383 c1ccc(cc1)NCCOCc2cscn2 34a_100000211345_100000205941 [0,0,1,0,0,0|3,0,0]=4 297 B17R2.2383 c1ccc(cc1)OCCCSc2c[nH]cn2 62a_100000199009_100000756875 [0,0,1,0,0,0|3,0,0]=4 298 B17R2.2383 c1ccc(cc1)OCCCSc2c[nH]cn2 62a_100000756875_100000199009 [0,0,1,0,0,0|3,0,0]=4 299 B17R2.2383 c1ccc(cc1)OCCNCc2c[nH]cn2 2230a_100000174943_100000707719 [0,0,1,0,0,0|1,0,0]=2 300 B17R2.2383 c1ccc(cc1)OCCNCc2c[nH]cn2 34a_100000174943_100000707719 [0,0,1,0,0,0|1,0,0]=2 301 B17R2.2383 c1ccc(cc1)OCCNCc2c[nH]nn2 270004a_100020620823_100000758736 [0,0,1,0,0,0|2,0,0]=3 302 B17R2.2383 c1ccc(cc1)OCCNCc2cc[nH]n2 207a_100000174943_100000738523 [0,0,1,0,0,0|3,0,0]=4 303 B17R2.2383 c1ccc(cc1)OCCNCc2cc[nH]n2 270004a_100000174943_100000738523 [0,0,1,0,0,0|3,0,0]=4 304 B17R2.2383 c1ccc(cc1)OCCNCc2ccco2 207a_100000174943_100000186105 [0,0,1,0,0,0|3,0,0]=4 305 B17R2.2383 c1ccc(cc1)OCCNCc2ccco2 2230a_100000185738_100000184471 [0,0,1,0,0,0|3,0,0]=4 306 B17R2.2383 c1ccc(cc1)OCCNCc2ccco2 270004a_100000174943_100000186105 [0,0,1,0,0,0|3,0,0]=4 307 B17R2.2383 c1ccc(cc1)OCCNCc2ccco2 270004a_100000185738_100000758736 [0,0,1,0,0,0|3,0,0]=4 308 B17R2.2383 c1ccc(cc1)OCCNCc2ccco2 34a_100000185738_100000184471 [0,0,1,0,0,0|3,0,0]=4 309 B17R2.2383 c1ccc(cc1)OCCNCc2cccs2 207a_100000174943_100000209959 [0,0,1,0,0,0|3,0,0]=4 310 B17R2.2383 c1ccc(cc1)OCCNCc2cccs2 2230a_100000211653_100000184471 [0,0,1,0,0,0|3,0,0]=4 311 B17R2.2383 c1ccc(cc1)OCCNCc2cccs2 270004a_100000174943_100000209959 [0,0,1,0,0,0|3,0,0]=4 312 B17R2.2383 c1ccc(cc1)OCCNCc2cccs2 270004a_100000211653_100000758736 [0,0,1,0,0,0|3,0,0]=4 313 B17R2.2383 c1ccc(cc1)OCCNCc2ccoc2 207a_100000174943_100011215517 [0,0,1,0,0,0|3,0,0]=4 314 B17R2.2383 c1ccc(cc1)OCCNCc2ccoc2 2230a_100015206860_100000184471 [0,0,1,0,0,0|3,0,0]=4 315 B17R2.2383 c1ccc(cc1)OCCNCc2ccoc2 270004a_100000174943_100011215517 [0,0,1,0,0,0|3,0,0]=4 316 B17R2.2383 c1ccc(cc1)OCCNCc2ccoc2 270004a_100015206860_100000758736 [0,0,1,0,0,0|3,0,0]=4 317 B17R2.2383 c1ccc(cc1)OCCNCc2ccoc2 34a_100015206860_100000184471 [0,0,1,0,0,0|3,0,0]=4 318 B17R2.2383 c1ccc(cc1)OCCNCc2ccon2 2230a_100000174943_100000234950 [0,0,1,0,0,0|3,0,0]=4 319 B17R2.2383 c1ccc(cc1)OCCNCc2ccon2 270004a_100000688301_100000758736 [0,0,1,0,0,0|3,0,0]=4 320 B17R2.2383 c1ccc(cc1)OCCNCc2ccon2 34a_100000174943_100000234950 [0,0,1,0,0,0|3,0,0]=4 321 B17R2.2383 c1ccc(cc1)OCCNCc2ccsc2 207a_100000174943_100000188534 [0,0,1,0,0,0|3,0,0]=4 322 B17R2.2383 c1ccc(cc1)OCCNCc2ccsc2 2230a_100000174943_100011261437 [0,0,1,0,0,0|3,0,0]=4 323 B17R2.2383 c1ccc(cc1)OCCNCc2ccsc2 2230a_100000186416_100000184471 [0,0,1,0,0,0|3,0,0]=4 324 B17R2.2383 c1ccc(cc1)OCCNCc2ccsc2 270004a_100000174943_100000188534 [0,0,1,0,0,0|3,0,0]=4 325 B17R2.2383 c1ccc(cc1)OCCNCc2ccsc2 270004a_100000186416_100000758736 [0,0,1,0,0,0|3,0,0]=4 326 B17R2.2383 c1ccc(cc1)OCCNCc2ccsc2 34a_100000174943_100011261437 [0,0,1,0,0,0|3,0,0]=4 327 B17R2.2383 c1ccc(cc1)OCCNCc2ccsc2 34a_100000186416_100000184471 [0,0,1,0,0,0|3,0,0]=4 328 B17R2.2383 c1ccc(cc1)OCCNCc2cn[nH]c2 207a_100000174943_100016992096 [0,0,1,0,0,0|3,0,0]=4 329 B17R2.2383 c1ccc(cc1)OCCNCc2cn[nH]c2 270004a_100000174943_100016992096 [0,0,1,0,0,0|3,0,0]=4 330 B17R2.2383 c1ccc(cc1)OCCNCc2cn[nH]c2 270004a_100000737208_100000758736 [0,0,1,0,0,0|3,0,0]=4 331 B17R2.2383 c1ccc(cc1)OCCNCc2cnc[nH]2 207a_100000174943_100000742939 [0,0,1,0,0,0|1,0,2]=4 332 B17R2.2383 c1ccc(cc1)OCCNCc2cnco2 270004a_100000174943_100000064291 [0,0,1,0,0,0|2,0,1]=4 333 B17R2.2383 c1ccc(cc1)OCCNCc2cnco2 270004a_100020634212_100000758736 [0,0,1,0,0,0|2,0,1]=4 334 B17R2.2383 c1ccc(cc1)OCCNCc2cncs2 207a_100000174943_100000749870 [0,0,1,0,0,0|2,0,1]=4 335 B17R2.2383 c1ccc(cc1)OCCNCc2cncs2 2230a_100000174943_100015185245 [0,0,1,0,0,0|2,0,1]=4 336 B17R2.2383 c1ccc(cc1)OCCNCc2cncs2 2230a_100016987365_100000184471 [0,0,1,0,0,0|2,0,1]=4 337 B17R2.2383 c1ccc(cc1)OCCNCc2cncs2 270004a_100000174943_100000749870 [0,0,1,0,0,0|2,0,1]=4 338 B17R2.2383 c1ccc(cc1)OCCNCc2cncs2 270004a_100016987365_100000758736 [0,0,1,0,0,0|2,0,1]=4 339 B17R2.2383 c1ccc(cc1)OCCNCc2cncs2 34a_100000174943_100015185245 [0,0,1,0,0,0|2,0,1]=4 340 B17R2.2383 c1ccc(cc1)OCCNCc2cocn2 270004a_100000174943_100000050382 [0,0,1,0,0,0|2,0,0]=3 341 B17R2.2383 c1ccc(cc1)OCCNCc2cocn2 270004a_100015188801_100000758736 [0,0,1,0,0,0|2,0,0]=3 342 B17R2.2383 c1ccc(cc1)OCCNCc2cscn2 207a_100000174943_100000743575 [0,0,1,0,0,0|2,0,0]=3 343 B17R2.2383 c1ccc(cc1)OCCNCc2cscn2 2230a_100000174943_100000205941 [0,0,1,0,0,0|2,0,0]=3 344 B17R2.2383 c1ccc(cc1)OCCNCc2cscn2 2230a_100015185402_100000184471 [0,0,1,0,0,0|2,0,0]=3 345 B17R2.2383 c1ccc(cc1)OCCNCc2cscn2 270004a_100000174943_100000743575 [0,0,1,0,0,0|2,0,0]=3 346 B17R2.2383 c1ccc(cc1)OCCNCc2cscn2 34a_100000174943_100000205941 [0,0,1,0,0,0|2,0,0]=3 347 B17R2.2383 c1ccc(cc1)OCCNCc2csnn2 270004a_100000174943_100000738508 [0,0,1,0,0,0|3,0,0]=4 348 B17R2.2383 c1ccc(cc1)OCCNCc2ncc[nH]2 207a_100000174943_100000743867 [0,0,1,0,0,0|3,0,0]=4 349 B17R2.2383 c1ccc(cc1)OCCNCc2ncc[nH]2 2230a_100000174943_100016991755 [0,0,1,0,0,0|3,0,0]=4 350 B17R2.2383 c1ccc(cc1)OCCNCc2ncc[nH]2 270004a_100000754540_100000758736 [0,0,1,0,0,0|3,0,0]=4 351 B17R2.2383 c1ccc(cc1)OCCNCc2ncc[nH]2 34a_100000174943_100016991755 [0,0,1,0,0,0|3,0,0]=4 352 B17R2.2383 c1ccc(cc1)OCCNCc2ncco2 2230a_100000174943_103436540062 [0,0,1,0,0,0|3,0,0]=4 353 B17R2.2383 c1ccc(cc1)OCCNCc2ncco2 2230a_100016994969_100000184471 [0,0,1,0,0,0|3,0,0]=4 354 B17R2.2383 c1ccc(cc1)OCCNCc2ncco2 270004a_100000174943_100000064290 [0,0,1,0,0,0|3,0,0]=4 355 B17R2.2383 c1ccc(cc1)OCCNCc2ncco2 34a_100000174943_103436540062 [0,0,1,0,0,0|3,0,0]=4 356 B17R2.2383 c1ccc(cc1)OCCNCc2nccs2 207a_100000174943_100000750902 [0,0,1,0,0,0|3,0,0]=4 357 B17R2.2383 c1ccc(cc1)OCCNCc2nccs2 2230a_100000174943_100015184050 [0,0,1,0,0,0|3,0,0]=4 358 B17R2.2383 c1ccc(cc1)OCCNCc2nccs2 2230a_100000740555_100000184471 [0,0,1,0,0,0|3,0,0]=4 359 B17R2.2383 c1ccc(cc1)OCCNCc2nccs2 270004a_100000174943_100000750902 [0,0,1,0,0,0|3,0,0]=4 360 B17R2.2383 c1ccc(cc1)OCCNCc2nccs2 270004a_100000740555_100000758736 [0,0,1,0,0,0|3,0,0]=4 361 B17R2.2383 c1ccc(cc1)OCCNCc2nccs2 34a_100000174943_100015184050 [0,0,1,0,0,0|3,0,0]=4 362 B17R2.2383 c1ccc(cc1)OCCNCc2ncon2 34a_100000174943_100000233494 [0,0,1,0,0,0|3,0,0]=4 363 B17R2.2383 c1ccc(cc1)OCCNCn2cncn2 2230a_100000174943_200020645497 [0,0,1,0,0,0|2,0,1]=4 364 B17R2.2383 c1ccc(cc1)OCCNCn2cncn2 34a_100000174943_200020645497 [0,0,1,0,0,0|2,0,1]=4 365 B17R2.2383 c1ccc(cc1)OCCOCc2c[nH]cn2 34a_100000210260_100000707719 [0,0,1,0,0,0|2,0,0]=3 366 B17R2.2383 c1ccc(cc1)OCCOCc2cscn2 34a_100000210260_100000205941 [0,0,1,0,0,0|3,0,0]=4 367 B17R2.2383 c1ccc(cc1)OCCOCc2cscn2 7a_100000210260_100000205941 [0,0,1,0,0,0|3,0,0]=4 368 B17R2.2383 c1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000184471_100000707719 [0,0,1,0,0,0|2,0,0]=3 369 B17R2.2383 c1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000707719_100000184471 [0,0,1,0,0,0|2,0,0]=3 370 B17R2.2383 c1ccc(cc1)OCCSCc2cscn2 62a_100000184471_100000205941 [0,0,1,0,0,0|3,0,0]=4 371 B17R2.2383 c1ccc(cc1)OCCSCc2cscn2 62a_100000205941_100000184471 [0,0,1,0,0,0|3,0,0]=4 372 B17R2.2383 c1ccc(cc1)SCCCSc2c[nH]cn2 62a_100000756875_200011203293 [0,0,1,0,0,0|3,0,0]=4 373 B17R2.2383 c1ccc(cc1)SCCCSc2c[nH]cn2 62a_200011203293_100000756875 [0,0,1,0,0,0|3,0,0]=4 374 B17R2.2383 c1ccc(cc1)SCCNCc2c[nH]cn2 2230a_100000189519_100000707719 [0,0,1,0,0,0|1,0,0]=2 375 B17R2.2383 c1ccc(cc1)SCCNCc2cc[nH]n2 207a_100000189519_100000738523 [0,0,1,0,0,0|3,0,0]=4 376 B17R2.2383 c1ccc(cc1)SCCNCc2cc[nH]n2 270004a_100000189519_100000738523 [0,0,1,0,0,0|3,0,0]=4 377 B17R2.2383 c1ccc(cc1)SCCNCc2ccco2 207a_100000189519_100000186105 [0,0,1,0,0,0|3,0,0]=4 378 B17R2.2383 c1ccc(cc1)SCCNCc2ccco2 2230a_100000185738_100000246102 [0,0,1,0,0,0|3,0,0]=4 379 B17R2.2383 c1ccc(cc1)SCCNCc2ccco2 270004a_100000189519_100000186105 [0,0,1,0,0,0|3,0,0]=4 380 B17R2.2383 c1ccc(cc1)SCCNCc2ccco2 34a_100000185738_100000246102 [0,0,1,0,0,0|3,0,0]=4 381 B17R2.2383 c1ccc(cc1)SCCNCc2cccs2 207a_100000189519_100000209959 [0,0,1,0,0,0|3,0,0]=4 382 B17R2.2383 c1ccc(cc1)SCCNCc2cccs2 2230a_100000211653_100000246102 [0,0,1,0,0,0|3,0,0]=4 383 B17R2.2383 c1ccc(cc1)SCCNCc2cccs2 270004a_100000189519_100000209959 [0,0,1,0,0,0|3,0,0]=4 384 B17R2.2383 c1ccc(cc1)SCCNCc2ccoc2 207a_100000189519_100011215517 [0,0,1,0,0,0|3,0,0]=4 385 B17R2.2383 c1ccc(cc1)SCCNCc2ccoc2 2230a_100015206860_100000246102 [0,0,1,0,0,0|3,0,0]=4 386 B17R2.2383 c1ccc(cc1)SCCNCc2ccoc2 270004a_100000189519_100011215517 [0,0,1,0,0,0|3,0,0]=4 387 B17R2.2383 c1ccc(cc1)SCCNCc2ccoc2 34a_100015206860_100000246102 [0,0,1,0,0,0|3,0,0]=4 388 B17R2.2383 c1ccc(cc1)SCCNCc2ccon2 2230a_100000189519_100000234950 [0,0,1,0,0,0|3,0,0]=4 389 B17R2.2383 c1ccc(cc1)SCCNCc2ccsc2 207a_100000189519_100000188534 [0,0,1,0,0,0|3,0,0]=4 390 B17R2.2383 c1ccc(cc1)SCCNCc2ccsc2 2230a_100000186416_100000246102 [0,0,1,0,0,0|3,0,0]=4 391 B17R2.2383 c1ccc(cc1)SCCNCc2ccsc2 2230a_100000189519_100011261437 [0,0,1,0,0,0|3,0,0]=4 392 B17R2.2383 c1ccc(cc1)SCCNCc2ccsc2 270004a_100000189519_100000188534 [0,0,1,0,0,0|3,0,0]=4 393 B17R2.2383 c1ccc(cc1)SCCNCc2ccsc2 34a_100000186416_100000246102 [0,0,1,0,0,0|3,0,0]=4 394 B17R2.2383 c1ccc(cc1)SCCNCc2cn[nH]c2 207a_100000189519_100016992096 [0,0,1,0,0,0|3,0,0]=4 395 B17R2.2383 c1ccc(cc1)SCCNCc2cn[nH]c2 270004a_100000189519_100016992096 [0,0,1,0,0,0|3,0,0]=4 396 B17R2.2383 c1ccc(cc1)SCCNCc2cnc[nH]2 207a_100000189519_100000742939 [0,0,1,0,0,0|1,0,2]=4 397 B17R2.2383 c1ccc(cc1)SCCNCc2cnco2 270004a_100000189519_100000064291 [0,0,1,0,0,0|2,0,1]=4 398 B17R2.2383 c1ccc(cc1)SCCNCc2cncs2 207a_100000189519_100000749870 [0,0,1,0,0,0|2,0,1]=4 399 B17R2.2383 c1ccc(cc1)SCCNCc2cncs2 2230a_100000189519_100015185245 [0,0,1,0,0,0|2,0,1]=4 400 B17R2.2383 c1ccc(cc1)SCCNCc2cncs2 2230a_100016987365_100000246102 [0,0,1,0,0,0|2,0,1]=4 401 B17R2.2383 c1ccc(cc1)SCCNCc2cncs2 270004a_100000189519_100000749870 [0,0,1,0,0,0|2,0,1]=4 402 B17R2.2383 c1ccc(cc1)SCCNCc2cocn2 270004a_100000189519_100000050382 [0,0,1,0,0,0|2,0,0]=3 403 B17R2.2383 c1ccc(cc1)SCCNCc2cscn2 207a_100000189519_100000743575 [0,0,1,0,0,0|2,0,0]=3 404 B17R2.2383 c1ccc(cc1)SCCNCc2cscn2 2230a_100000189519_100000205941 [0,0,1,0,0,0|2,0,0]=3 405 B17R2.2383 c1ccc(cc1)SCCNCc2cscn2 2230a_100015185402_100000246102 [0,0,1,0,0,0|2,0,0]=3 406 B17R2.2383 c1ccc(cc1)SCCNCc2cscn2 270004a_100000189519_100000743575 [0,0,1,0,0,0|2,0,0]=3 407 B17R2.2383 c1ccc(cc1)SCCNCc2csnn2 270004a_100000189519_100000738508 [0,0,1,0,0,0|3,0,0]=4 408 B17R2.2383 c1ccc(cc1)SCCNCc2ncc[nH]2 207a_100000189519_100000743867 [0,0,1,0,0,0|3,0,0]=4 409 B17R2.2383 c1ccc(cc1)SCCNCc2ncc[nH]2 2230a_100000189519_100016991755 [0,0,1,0,0,0|3,0,0]=4 410 B17R2.2383 c1ccc(cc1)SCCNCc2ncco2 2230a_100000189519_103436540062 [0,0,1,0,0,0|3,0,0]=4 411 B17R2.2383 c1ccc(cc1)SCCNCc2ncco2 2230a_100016994969_100000246102 [0,0,1,0,0,0|3,0,0]=4 412 B17R2.2383 c1ccc(cc1)SCCNCc2ncco2 270004a_100000189519_100000064290 [0,0,1,0,0,0|3,0,0]=4 413 B17R2.2383 c1ccc(cc1)SCCNCc2nccs2 207a_100000189519_100000750902 [0,0,1,0,0,0|3,0,0]=4 414 B17R2.2383 c1ccc(cc1)SCCNCc2nccs2 2230a_100000189519_100015184050 [0,0,1,0,0,0|3,0,0]=4 415 B17R2.2383 c1ccc(cc1)SCCNCc2nccs2 2230a_100000740555_100000246102 [0,0,1,0,0,0|3,0,0]=4 416 B17R2.2383 c1ccc(cc1)SCCNCc2nccs2 270004a_100000189519_100000750902 [0,0,1,0,0,0|3,0,0]=4 417 B17R2.2383 c1ccc(cc1)SCCNCn2cncn2 2230a_100000189519_200020645497 [0,0,1,0,0,0|2,0,1]=4 418 B17R2.2383 c1ccc(cc1)SCCOCc2cscn2 7a_100000230494_100000205941 [0,0,1,0,0,0|3,0,0]=4 419 B17R2.2383 c1ccc(cc1)SCCSCc2c[nH]cn2 62a_100000246102_100000707719 [0,0,1,0,0,0|2,0,0]=3 420 B17R2.2383 c1ccc(cc1)SCCSCc2c[nH]cn2 62a_100000707719_100000246102 [0,0,1,0,0,0|2,0,0]=3 421 B17R2.2383 c1ccc(cc1)SCCSCc2cscn2 62a_100000205941_100000246102 [0,0,1,0,0,0|3,0,0]=4 422 B17R2.2383 c1ccc(cc1)SCCSCc2cscn2 62a_100000246102_100000205941 [0,0,1,0,0,0|3,0,0]=4 423 B17R2.2383 c1ccc(cc1)SCSCCc2c[nH]cn2 62a_100011218342_100020628418 [0,0,1,0,0,0|3,0,0]=4 424 B17R2.2383 c1ccc(cc1)SCSCCc2c[nH]cn2 62a_100020628418_100011218342 [0,0,1,0,0,0|3,0,0]=4 425 B17R2.2383 c1ccc(nc1)CCCNCc2cc[nH]n2 207a_100000689020_100000738523 [0,0,1,0,0,0|3,0,0]=4 426 B17R2.2383 c1ccc(nc1)CCCNCc2cc[nH]n2 270004a_100000689020_100000738523 [0,0,1,0,0,0|3,0,0]=4 427 B17R2.2383 c1ccc(nc1)CCCNCc2ccco2 207a_100000689020_100000186105 [0,0,1,0,0,0|3,0,0]=4 428 B17R2.2383 c1ccc(nc1)CCCNCc2ccco2 270004a_100000689020_100000186105 [0,0,1,0,0,0|3,0,0]=4 429 B17R2.2383 c1ccc(nc1)CCCNCc2cccs2 207a_100000689020_100000209959 [0,0,1,0,0,0|3,0,0]=4 430 B17R2.2383 c1ccc(nc1)CCCNCc2cccs2 270004a_100000689020_100000209959 [0,0,1,0,0,0|3,0,0]=4 431 B17R2.2383 c1ccc(nc1)CCCNCc2ccoc2 207a_100000689020_100011215517 [0,0,1,0,0,0|3,0,0]=4 432 B17R2.2383 c1ccc(nc1)CCCNCc2ccoc2 270004a_100000689020_100011215517 [0,0,1,0,0,0|3,0,0]=4 433 B17R2.2383 c1ccc(nc1)CCCNCc2ccsc2 207a_100000689020_100000188534 [0,0,1,0,0,0|3,0,0]=4 434 B17R2.2383 c1ccc(nc1)CCCNCc2ccsc2 270004a_100000689020_100000188534 [0,0,1,0,0,0|3,0,0]=4 435 B17R2.2383 c1ccc(nc1)CCCNCc2cn[nH]c2 207a_100000689020_100016992096 [0,0,1,0,0,0|3,0,0]=4 436 B17R2.2383 c1ccc(nc1)CCCNCc2cn[nH]c2 270004a_100000689020_100016992096 [0,0,1,0,0,0|3,0,0]=4 437 B17R2.2383 c1ccc(nc1)CCCNCc2cnc[nH]2 207a_100000689020_100000742939 [0,0,1,0,0,0|1,0,2]=4 438 B17R2.2383 c1ccc(nc1)CCCNCc2cnco2 270004a_100000689020_100000064291 [0,0,1,0,0,0|2,0,1]=4 439 B17R2.2383 c1ccc(nc1)CCCNCc2cncs2 207a_100000689020_100000749870 [0,0,1,0,0,0|2,0,1]=4 440 B17R2.2383 c1ccc(nc1)CCCNCc2cncs2 270004a_100000689020_100000749870 [0,0,1,0,0,0|2,0,1]=4 441 B17R2.2383 c1ccc(nc1)CCCNCc2cocn2 270004a_100000689020_100000050382 [0,0,1,0,0,0|2,0,0]=3 442 B17R2.2383 c1ccc(nc1)CCCNCc2cscn2 207a_100000689020_100000743575 [0,0,1,0,0,0|2,0,0]=3 443 B17R2.2383 c1ccc(nc1)CCCNCc2cscn2 270004a_100000689020_100000743575 [0,0,1,0,0,0|2,0,0]=3 444 B17R2.2383 c1ccc(nc1)CCCNCc2csnn2 270004a_100000689020_100000738508 [0,0,1,0,0,0|3,0,0]=4 445 B17R2.2383 c1ccc(nc1)CCCNCc2ncc[nH]2 207a_100000689020_100000743867 [0,0,1,0,0,0|3,0,0]=4 446 B17R2.2383 c1ccc(nc1)CCCNCc2ncco2 270004a_100000689020_100000064290 [0,0,1,0,0,0|3,0,0]=4 447 B17R2.2383 c1ccc(nc1)CCCNCc2nccs2 207a_100000689020_100000750902 [0,0,1,0,0,0|3,0,0]=4 448 B17R2.2383 c1ccc(nc1)CCCNCc2nccs2 270004a_100000689020_100000750902 [0,0,1,0,0,0|3,0,0]=4 449 B17R2.2383 c1ccc(nc1)CCCOCc2c[nH]cn2 34a_100011215068_100000707719 [0,0,1,0,0,0|2,0,0]=3 450 B17R2.2383 c1ccc(nc1)CCCOCc2cscn2 34a_100011215068_100000205941 [0,0,1,0,0,0|3,0,0]=4 451 B17R2.2383 c1ccc(nc1)CCSCCc2c[nH]cn2 62a_100015183660_100020628418 [0,0,1,0,0,0|3,0,0]=4 452 B17R2.2383 c1ccc(nc1)CCSCCc2c[nH]cn2 62a_100020628418_100015183660 [0,0,1,0,0,0|3,0,0]=4 453 B17R2.2383 c1ccc(nc1)OCCNCc2c[nH]cn2 2230a_106741647558_100000707719 [0,0,1,0,0,0|2,0,0]=3 454 B17R2.2383 c1ccc(nc1)OCCNCc2cocn2 270004a_106741647558_100000050382 [0,0,1,0,0,0|3,0,0]=4 455 B17R2.2383 c1ccc(nc1)OCCNCc2cscn2 207a_106741647558_100000743575 [0,0,1,0,0,0|3,0,0]=4 456 B17R2.2383 c1ccc(nc1)OCCNCc2cscn2 2230a_106741647558_100000205941 [0,0,1,0,0,0|3,0,0]=4 457 B17R2.2383 c1ccc(nc1)OCCNCc2cscn2 270004a_106741647558_100000743575 [0,0,1,0,0,0|3,0,0]=4 458 B17R2.2383 c1cncc(c1)CCCNCc2c[nH]cn2 2230a_100011532358_100000707719 [0,0,1,0,0,0|1,0,0]=2 459 B17R2.2383 c1cncc(c1)CCCNCc2c[nH]cn2 34a_100011532358_100000707719 [0,0,1,0,0,0|1,0,0]=2 460 B17R2.2383 c1cncc(c1)CCCNCc2cc[nH]n2 207a_100011532358_100000738523 [0,0,1,0,0,0|3,0,0]=4 461 B17R2.2383 c1cncc(c1)CCCNCc2cc[nH]n2 270004a_100011532358_100000738523 [0,0,1,0,0,0|3,0,0]=4 462 B17R2.2383 c1cncc(c1)CCCNCc2ccco2 207a_100011532358_100000186105 [0,0,1,0,0,0|3,0,0]=4 463 B17R2.2383 c1cncc(c1)CCCNCc2ccco2 270004a_100011532358_100000186105 [0,0,1,0,0,0|3,0,0]=4 464 B17R2.2383 c1cncc(c1)CCCNCc2cccs2 207a_100011532358_100000209959 [0,0,1,0,0,0|3,0,0]=4 465 B17R2.2383 c1cncc(c1)CCCNCc2cccs2 270004a_100011532358_100000209959 [0,0,1,0,0,0|3,0,0]=4 466 B17R2.2383 c1cncc(c1)CCCNCc2ccoc2 207a_100011532358_100011215517 [0,0,1,0,0,0|3,0,0]=4 467 B17R2.2383 c1cncc(c1)CCCNCc2ccoc2 270004a_100011532358_100011215517 [0,0,1,0,0,0|3,0,0]=4 468 B17R2.2383 c1cncc(c1)CCCNCc2ccon2 2230a_100011532358_100000234950 [0,0,1,0,0,0|3,0,0]=4 469 B17R2.2383 c1cncc(c1)CCCNCc2ccon2 34a_100011532358_100000234950 [0,0,1,0,0,0|3,0,0]=4 470 B17R2.2383 c1cncc(c1)CCCNCc2ccsc2 207a_100011532358_100000188534 [0,0,1,0,0,0|3,0,0]=4 471 B17R2.2383 c1cncc(c1)CCCNCc2ccsc2 2230a_100011532358_100011261437 [0,0,1,0,0,0|3,0,0]=4 472 B17R2.2383 c1cncc(c1)CCCNCc2ccsc2 270004a_100011532358_100000188534 [0,0,1,0,0,0|3,0,0]=4 473 B17R2.2383 c1cncc(c1)CCCNCc2ccsc2 34a_100011532358_100011261437 [0,0,1,0,0,0|3,0,0]=4 474 B17R2.2383 c1cncc(c1)CCCNCc2cn[nH]c2 207a_100011532358_100016992096 [0,0,1,0,0,0|3,0,0]=4 475 B17R2.2383 c1cncc(c1)CCCNCc2cn[nH]c2 270004a_100011532358_100016992096 [0,0,1,0,0,0|3,0,0]=4 476 B17R2.2383 c1cncc(c1)CCCNCc2cnc[nH]2 207a_100011532358_100000742939 [0,0,1,0,0,0|1,0,2]=4 477 B17R2.2383 c1cncc(c1)CCCNCc2cnco2 270004a_100011532358_100000064291 [0,0,1,0,0,0|2,0,1]=4 478 B17R2.2383 c1cncc(c1)CCCNCc2cncs2 207a_100011532358_100000749870 [0,0,1,0,0,0|2,0,1]=4 479 B17R2.2383 c1cncc(c1)CCCNCc2cncs2 2230a_100011532358_100015185245 [0,0,1,0,0,0|2,0,1]=4 480 B17R2.2383 c1cncc(c1)CCCNCc2cncs2 270004a_100011532358_100000749870 [0,0,1,0,0,0|2,0,1]=4 481 B17R2.2383 c1cncc(c1)CCCNCc2cncs2 34a_100011532358_100015185245 [0,0,1,0,0,0|2,0,1]=4 482 B17R2.2383 c1cncc(c1)CCCNCc2cocn2 270004a_100011532358_100000050382 [0,0,1,0,0,0|2,0,0]=3 483 B17R2.2383 c1cncc(c1)CCCNCc2cscn2 207a_100011532358_100000743575 [0,0,1,0,0,0|2,0,0]=3 484 B17R2.2383 c1cncc(c1)CCCNCc2cscn2 2230a_100011532358_100000205941 [0,0,1,0,0,0|2,0,0]=3 485 B17R2.2383 c1cncc(c1)CCCNCc2cscn2 270004a_100011532358_100000743575 [0,0,1,0,0,0|2,0,0]=3 486 B17R2.2383 c1cncc(c1)CCCNCc2cscn2 34a_100011532358_100000205941 [0,0,1,0,0,0|2,0,0]=3 487 B17R2.2383 c1cncc(c1)CCCNCc2csnn2 270004a_100011532358_100000738508 [0,0,1,0,0,0|3,0,0]=4 488 B17R2.2383 c1cncc(c1)CCCNCc2ncc[nH]2 207a_100011532358_100000743867 [0,0,1,0,0,0|3,0,0]=4 489 B17R2.2383 c1cncc(c1)CCCNCc2ncc[nH]2 2230a_100011532358_100016991755 [0,0,1,0,0,0|3,0,0]=4 490 B17R2.2383 c1cncc(c1)CCCNCc2ncc[nH]2 34a_100011532358_100016991755 [0,0,1,0,0,0|3,0,0]=4 491 B17R2.2383 c1cncc(c1)CCCNCc2ncco2 2230a_100011532358_103436540062 [0,0,1,0,0,0|3,0,0]=4 492 B17R2.2383 c1cncc(c1)CCCNCc2ncco2 270004a_100011532358_100000064290 [0,0,1,0,0,0|3,0,0]=4 493 B17R2.2383 c1cncc(c1)CCCNCc2ncco2 34a_100011532358_103436540062 [0,0,1,0,0,0|3,0,0]=4 494 B17R2.2383 c1cncc(c1)CCCNCc2nccs2 207a_100011532358_100000750902 [0,0,1,0,0,0|3,0,0]=4 495 B17R2.2383 c1cncc(c1)CCCNCc2nccs2 2230a_100011532358_100015184050 [0,0,1,0,0,0|3,0,0]=4 496 B17R2.2383 c1cncc(c1)CCCNCc2nccs2 270004a_100011532358_100000750902 [0,0,1,0,0,0|3,0,0]=4 497 B17R2.2383 c1cncc(c1)CCCNCc2nccs2 34a_100011532358_100015184050 [0,0,1,0,0,0|3,0,0]=4 498 B17R2.2383 c1cncc(c1)CCCNCc2ncon2 34a_100011532358_100000233494 [0,0,1,0,0,0|3,0,0]=4 499 B17R2.2383 c1cncc(c1)CCCNCn2cncn2 2230a_100011532358_200020645497 [0,0,1,0,0,0|2,0,1]=4 500 B17R2.2383 c1cncc(c1)CCCNCn2cncn2 34a_100011532358_200020645497 [0,0,1,0,0,0|2,0,1]=4 501 B17R2.2383 c1cncc(c1)CCCOCc2c[nH]cn2 34a_100000211284_100000707719 [0,0,1,0,0,0|2,0,0]=3 502 B17R2.2383 c1cncc(c1)CCCOCc2cscn2 34a_100000211284_100000205941 [0,0,1,0,0,0|3,0,0]=4 503 B17R2.2383 c1cncc(c1)CCNCCc2c[nH]cn2 2230a_100000736294_100020628418 [0,0,1,0,0,0|3,0,0]=4 504 B17R2.2383 c1cncc(c1)CCSCCc2c[nH]cn2 62a_100020628418_200011713674 [0,0,1,0,0,0|3,0,0]=4 505 B17R2.2383 c1cncc(c1)CCSCCc2c[nH]cn2 62a_200011713674_100020628418 [0,0,1,0,0,0|3,0,0]=4 506 B17R2.2383 c1cncc(c1)OCCNCc2c[nH]cn2 2230a_100000754688_100000707719 [0,0,1,0,0,0|2,0,0]=3 507 B17R2.2383 c1cncc(c1)OCCNCc2cocn2 270004a_100000754688_100000050382 [0,0,1,0,0,0|3,0,0]=4 508 B17R2.2383 c1cncc(c1)OCCNCc2cscn2 207a_100000754688_100000743575 [0,0,1,0,0,0|3,0,0]=4 509 B17R2.2383 c1cncc(c1)OCCNCc2cscn2 2230a_100000754688_100000205941 [0,0,1,0,0,0|3,0,0]=4 510 B17R2.2383 c1cncc(c1)OCCNCc2cscn2 270004a_100000754688_100000743575 [0,0,1,0,0,0|3,0,0]=4 511 B17R2.2383 c1coc(c1)CNCCCc2ccncc2 207a_100011275580_100000186105 [0,0,1,0,0,0|3,0,0]=4 512 B17R2.2383 c1coc(c1)CNCCCc2ccncc2 270004a_100011275580_100000186105 [0,0,1,0,0,0|3,0,0]=4 513 B17R2.2383 c1csc(c1)CNCCCc2ccncc2 207a_100011275580_100000209959 [0,0,1,0,0,0|3,0,0]=4 514 B17R2.2383 c1csc(c1)CNCCCc2ccncc2 270004a_100011275580_100000209959 [0,0,1,0,0,0|3,0,0]=4 515 B17R2.2749 CCc1ccccc1C(=O)Cc2c[nH]cn2 1458a_100000689120_100000707719 [0,0,1,0,0,0|2,0,0]=3 516 B17R2.2749 CCc1ccccc1C(=O)Cc2cscn2 1458a_100000689120_100000205941 [0,0,1,0,0,0|3,0,0]=4 517 B17R2.2749 CCc1cncnc1N(C)Cc2cscn2 27a_100000225794_200000100055 [0,0,1,0,0,0|3,0,0]=4 518 B17R2.2749 CCc1nccnc1N(C)Cc2cscn2 27a_100000225794_100011995844 [0,0,1,0,0,0|3,0,0]=4 519 B17R2.2749 CCc1ncncc1N(C)Cc2cscn2 27a_100000225794_100009816992 [0,0,1,0,0,0|3,0,0]=4 520 B17R2.2749 CN(Cc1c[nH]cn1)c2ccccc2C#N 2230a_100000744078_100000707719 [0,0,1,0,0,0|1,0,1]=3 521 B17R2.2749 CN(Cc1c[nH]cn1)c2ccccc2C#N 269982a_100000744078_100000707719 [0,0,1,0,0,0|1,0,1]=3 522 B17R2.2749 CN(Cc1cscn1)c2ccccc2C#N 2230a_100000744078_100000205941 [0,0,1,0,0,0|2,0,1]=4 523 B17R2.2749 CN(Cc1cscn1)c2ccccc2C#N 269982a_100000744078_100000205941 [0,0,1,0,0,0|2,0,1]=4 524 B17R2.2749 CN(Cc1cscn1)c2ccncc2CO 27a_100000225794_100000117392 [0,0,1,0,0,0|3,0,0]=4 525 B17R2.2749 COc1ccccc1C(=O)Cc2c[nH]cn2 1458a_100000185835_100000707719 [0,0,1,0,0,0|3,0,0]=4 526 B17R2.2749 COc1ccccc1N(C)Cc2c[nH]cn2 2230a_100000219746_100000707719 [0,0,1,0,0,0|1,0,0]=2 527 B17R2.2749 COc1ccccc1N(C)Cc2c[nH]cn2 269982a_100000219746_100000707719 [0,0,1,0,0,0|1,0,0]=2 528 B17R2.2749 COc1ccccc1N(C)Cc2c[nH]cn2 34a_100000219746_100000707719 [0,0,1,0,0,0|1,0,0]=2 529 B17R2.2749 COc1ccccc1N(C)Cc2ccon2 2230a_100000219746_100000234950 [0,0,1,0,0,0|3,0,0]=4 530 B17R2.2749 COc1ccccc1N(C)Cc2ccon2 269982a_100000219746_100000234950 [0,0,1,0,0,0|3,0,0]=4 531 B17R2.2749 COc1ccccc1N(C)Cc2ccon2 34a_100000219746_100000234950 [0,0,1,0,0,0|3,0,0]=4 532 B17R2.2749 COc1ccccc1N(C)Cc2ccsc2 2230a_100000219746_100011261437 [0,0,1,0,0,0|3,0,0]=4 533 B17R2.2749 COc1ccccc1N(C)Cc2ccsc2 269982a_100000219746_100011233845 [0,0,1,0,0,0|3,0,0]=4 534 B17R2.2749 COc1ccccc1N(C)Cc2ccsc2 34a_100000219746_100011261437 [0,0,1,0,0,0|3,0,0]=4 535 B17R2.2749 COc1ccccc1N(C)Cc2cncs2 2230a_100000219746_100015185245 [0,0,1,0,0,0|2,0,1]=4 536 B17R2.2749 COc1ccccc1N(C)Cc2cncs2 269982a_100000219746_100015185245 [0,0,1,0,0,0|2,0,1]=4 537 B17R2.2749 COc1ccccc1N(C)Cc2cncs2 34a_100000219746_100015185245 [0,0,1,0,0,0|2,0,1]=4 538 B17R2.2749 COc1ccccc1N(C)Cc2cscn2 2230a_100000219746_100000205941 [0,0,1,0,0,0|2,0,0]=3 539 B17R2.2749 COc1ccccc1N(C)Cc2cscn2 269982a_100000219746_100000205941 [0,0,1,0,0,0|2,0,0]=3 540 B17R2.2749 COc1ccccc1N(C)Cc2cscn2 34a_100000219746_100000205941 [0,0,1,0,0,0|2,0,0]=3 541 B17R2.2749 COc1ccccc1N(C)Cc2ncc[nH]2 2230a_100000219746_100016991755 [0,0,1,0,0,0|3,0,0]=4 542 B17R2.2749 COc1ccccc1N(C)Cc2ncc[nH]2 269982a_100000219746_100016991755 [0,0,1,0,0,0|3,0,0]=4 543 B17R2.2749 COc1ccccc1N(C)Cc2ncc[nH]2 34a_100000219746_100016991755 [0,0,1,0,0,0|3,0,0]=4 544 B17R2.2749 COc1ccccc1N(C)Cc2ncco2 2230a_100000219746_103436540062 [0,0,1,0,0,0|3,0,0]=4 545 B17R2.2749 COc1ccccc1N(C)Cc2ncco2 269982a_100000219746_103436540062 [0,0,1,0,0,0|3,0,0]=4 546 B17R2.2749 COc1ccccc1N(C)Cc2ncco2 34a_100000219746_103436540062 [0,0,1,0,0,0|3,0,0]=4 547 B17R2.2749 COc1ccccc1N(C)Cc2nccs2 2230a_100000219746_100015184050 [0,0,1,0,0,0|3,0,0]=4 548 B17R2.2749 COc1ccccc1N(C)Cc2nccs2 269982a_100000219746_100015184050 [0,0,1,0,0,0|3,0,0]=4 549 B17R2.2749 COc1ccccc1N(C)Cc2nccs2 34a_100000219746_100015184050 [0,0,1,0,0,0|3,0,0]=4 550 B17R2.2749 COc1ccccc1N(C)Cc2ncon2 269982a_100000219746_100000233494 [0,0,1,0,0,0|3,0,0]=4 551 B17R2.2749 COc1ccccc1N(C)Cc2ncon2 34a_100000219746_100000233494 [0,0,1,0,0,0|3,0,0]=4 552 B17R2.2749 COc1ccccc1N(C)Cn2cncn2 2230a_100000219746_200020645497 [0,0,1,0,0,0|2,0,1]=4 553 B17R2.2749 COc1ccccc1N(C)Cn2cncn2 269982a_100000219746_200020645497 [0,0,1,0,0,0|2,0,1]=4 554 B17R2.2749 COc1ccccc1N(C)Cn2cncn2 34a_100000219746_200020645497 [0,0,1,0,0,0|2,0,1]=4 555 B17R2.2749 CSc1ccccc1C(=O)Cc2c[nH]cn2 1458a_100000183967_100000707719 [0,0,1,0,0,0|3,0,0]=4 556 B17R2.2749 O=C(Cc1c[nH]cn1)c2ccccc2CO 1458a_100011301526_100000707719 [0,0,1,0,0,0|3,0,0]=4 557 B17R2.4343 BrCCc1ccccc1OCc2c[nH]cn2 34a_100000722297_100000707719 [0,0,1,0,0,0|2,0,0]=3 558 B17R2.4343 BrCCc1ccccc1OCc2cscn2 34a_100000722297_100000205941 [0,0,1,0,0,0|3,0,0]=4 559 B17R2.4343 BrCCc1ccccc1OCc2cscn2 7a_100000722297_100000205941 [0,0,1,0,0,0|3,0,0]=4 560 B17R2.4343 C/C=C/c1ccccc1OCc2c[nH]cn2 34a_200000189419_100000707719 [0,0,1,0,0,0|1,0,2]=4 561 B17R2.4343 C=CCc1ccccc1NCc2c[nH]cn2 2230a_200138433279_100000707719 [0,0,1,0,0,0|0,0,2]=3 562 B17R2.4343 C=CCc1ccccc1NCc2c[nH]cn2 34a_200138433279_100000707719 [0,0,1,0,0,0|0,0,2]=3 563 B17R2.4343 C=CCc1ccccc1NCc2cscn2 207a_200138433279_100000743575 [0,0,1,0,0,0|1,0,2]=4 564 B17R2.4343 C=CCc1ccccc1NCc2cscn2 2230a_200138433279_100000205941 [0,0,1,0,0,0|1,0,2]=4 565 B17R2.4343 C=CCc1ccccc1NCc2cscn2 270302a_200138433279_100000743575 [0,0,1,0,0,0|1,0,2]=4 566 B17R2.4343 C=CCc1ccccc1NCc2cscn2 34a_200138433279_100000205941 [0,0,1,0,0,0|1,0,2]=4 567 B17R2.4343 C=CCc1ccccc1OCc2c[nH]cn2 34a_100000211836_100000707719 [0,0,1,0,0,0|1,0,2]=4 568 B17R2.4343 C=CCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100009828059 [0,0,1,0,0,0|1,0,2]=4 569 B17R2.4343 C=CCc1ccccc1SCc2c[nH]cn2 62a_100009828059_100000707719 [0,0,1,0,0,0|1,0,2]=4 570 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 34a_100000737634_100000737910 [0,0,1,0,0,0|2,0,1]=4 571 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 7a_100000737634_100000737910 [0,0,1,0,0,0|2,0,1]=4 572 B17R2.4343 CCCc1ccccc1NCc2c[nH]cn2 2230a_100000737634_100000707719 [0,0,1,0,0,0|0,0,0]=1 573 B17R2.4343 CCCc1ccccc1NCc2c[nH]cn2 34a_100000737634_100000707719 [0,0,1,0,0,0|0,0,0]=1 574 B17R2.4343 CCCc1ccccc1NCc2cc[nH]n2 207a_100000737634_100000738523 [0,0,1,0,0,0|2,0,0]=3 575 B17R2.4343 CCCc1ccccc1NCc2ccco2 207a_100000737634_100000186105 [0,0,1,0,0,0|2,0,0]=3 576 B17R2.4343 CCCc1ccccc1NCc2ccco2 270302a_100000737634_100000186105 [0,0,1,0,0,0|2,0,0]=3 577 B17R2.4343 CCCc1ccccc1NCc2cccs2 207a_100000737634_100000209959 [0,0,1,0,0,0|2,0,0]=3 578 B17R2.4343 CCCc1ccccc1NCc2cccs2 270302a_100000737634_100000209959 [0,0,1,0,0,0|2,0,0]=3 579 B17R2.4343 CCCc1ccccc1NCc2ccn[nH]2 2230a_100000737634_100000728653 [0,0,1,0,0,0|2,0,1]=4 580 B17R2.4343 CCCc1ccccc1NCc2ccn[nH]2 34a_100000737634_100000728653 [0,0,1,0,0,0|2,0,1]=4 581 B17R2.4343 CCCc1ccccc1NCc2ccn[nH]2 7a_100000737634_100000728653 [0,0,1,0,0,0|2,0,1]=4 582 B17R2.4343 CCCc1ccccc1NCc2ccoc2 207a_100000737634_100011215517 [0,0,1,0,0,0|2,0,0]=3 583 B17R2.4343 CCCc1ccccc1NCc2ccon2 2230a_100000737634_100000234950 [0,0,1,0,0,0|2,0,0]=3 584 B17R2.4343 CCCc1ccccc1NCc2ccon2 34a_100000737634_100000234950 [0,0,1,0,0,0|2,0,0]=3 585 B17R2.4343 CCCc1ccccc1NCc2ccon2 7a_100000737634_100000234950 [0,0,1,0,0,0|2,0,0]=3 586 B17R2.4343 CCCc1ccccc1NCc2ccsc2 207a_100000737634_100000188534 [0,0,1,0,0,0|2,0,0]=3 587 B17R2.4343 CCCc1ccccc1NCc2ccsc2 2230a_100000737634_100011261437 [0,0,1,0,0,0|2,0,0]=3 588 B17R2.4343 CCCc1ccccc1NCc2ccsc2 270302a_100000737634_100000188534 [0,0,1,0,0,0|2,0,0]=3 589 B17R2.4343 CCCc1ccccc1NCc2ccsc2 34a_100000737634_100011261437 [0,0,1,0,0,0|2,0,0]=3 590 B17R2.4343 CCCc1ccccc1NCc2ccsc2 7a_100000737634_100011261437 [0,0,1,0,0,0|2,0,0]=3 591 B17R2.4343 CCCc1ccccc1NCc2cn[nH]c2 207a_100000737634_100016992096 [0,0,1,0,0,0|2,0,0]=3 592 B17R2.4343 CCCc1ccccc1NCc2cn[nH]c2 270302a_100000737634_100016992096 [0,0,1,0,0,0|2,0,0]=3 593 B17R2.4343 CCCc1ccccc1NCc2cnc[nH]2 207a_100000737634_100000742939 [0,0,1,0,0,0|0,0,2]=3 594 B17R2.4343 CCCc1ccccc1NCc2cncs2 207a_100000737634_100000749870 [0,0,1,0,0,0|1,0,1]=3 595 B17R2.4343 CCCc1ccccc1NCc2cncs2 2230a_100000737634_100015185245 [0,0,1,0,0,0|1,0,1]=3 596 B17R2.4343 CCCc1ccccc1NCc2cncs2 270302a_100000737634_100000749870 [0,0,1,0,0,0|1,0,1]=3 597 B17R2.4343 CCCc1ccccc1NCc2cncs2 34a_100000737634_100015185245 [0,0,1,0,0,0|1,0,1]=3 598 B17R2.4343 CCCc1ccccc1NCc2cncs2 7a_100000737634_100015185245 [0,0,1,0,0,0|1,0,1]=3 599 B17R2.4343 CCCc1ccccc1NCc2cscn2 207a_100000737634_100000743575 [0,0,1,0,0,0|1,0,0]=2 600 B17R2.4343 CCCc1ccccc1NCc2cscn2 2230a_100000737634_100000205941 [0,0,1,0,0,0|1,0,0]=2 601 B17R2.4343 CCCc1ccccc1NCc2cscn2 270302a_100000737634_100000743575 [0,0,1,0,0,0|1,0,0]=2 602 B17R2.4343 CCCc1ccccc1NCc2cscn2 34a_100000737634_100000205941 [0,0,1,0,0,0|1,0,0]=2 603 B17R2.4343 CCCc1ccccc1NCc2cscn2 7a_100000737634_100000205941 [0,0,1,0,0,0|1,0,0]=2 604 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 207a_100000737634_100000743867 [0,0,1,0,0,0|2,0,0]=3 605 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 2230a_100000737634_100016991755 [0,0,1,0,0,0|2,0,0]=3 606 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 34a_100000737634_100016991755 [0,0,1,0,0,0|2,0,0]=3 607 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 7a_100000737634_100000753453 [0,0,1,0,0,0|2,0,0]=3 608 B17R2.4343 CCCc1ccccc1NCc2ncco2 2230a_100000737634_103436540062 [0,0,1,0,0,0|2,0,0]=3 609 B17R2.4343 CCCc1ccccc1NCc2ncco2 34a_100000737634_103436540062 [0,0,1,0,0,0|2,0,0]=3 610 B17R2.4343 CCCc1ccccc1NCc2ncco2 7a_100000737634_103436540062 [0,0,1,0,0,0|2,0,0]=3 611 B17R2.4343 CCCc1ccccc1NCc2nccs2 207a_100000737634_100000750902 [0,0,1,0,0,0|2,0,0]=3 612 B17R2.4343 CCCc1ccccc1NCc2nccs2 2230a_100000737634_100015184050 [0,0,1,0,0,0|2,0,0]=3 613 B17R2.4343 CCCc1ccccc1NCc2nccs2 270302a_100000737634_100000750902 [0,0,1,0,0,0|2,0,0]=3 614 B17R2.4343 CCCc1ccccc1NCc2nccs2 34a_100000737634_100015184050 [0,0,1,0,0,0|2,0,0]=3 615 B17R2.4343 CCCc1ccccc1NCc2nccs2 7a_100000737634_100015184050 [0,0,1,0,0,0|2,0,0]=3 616 B17R2.4343 CCCc1ccccc1NCc2ncon2 34a_100000737634_100000233494 [0,0,1,0,0,0|2,0,0]=3 617 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 34a_100000737634_100000765167 [0,0,1,0,0,0|2,0,1]=4 618 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 7a_100000737634_100000765167 [0,0,1,0,0,0|2,0,1]=4 619 B17R2.4343 CCCc1ccccc1NCn2cncn2 2230a_100000737634_200020645497 [0,0,1,0,0,0|1,0,1]=3 620 B17R2.4343 CCCc1ccccc1NCn2cncn2 34a_100000737634_200020645497 [0,0,1,0,0,0|1,0,1]=3 621 B17R2.4343 CCCc1ccccc1NCn2cncn2 7a_100000737634_200020645497 [0,0,1,0,0,0|1,0,1]=3 622 B17R2.4343 CCCc1ccccc1OCc2c[nH]cn2 34a_100011217252_100000707719 [0,0,1,0,0,0|1,0,0]=2 623 B17R2.4343 CCCc1ccccc1OCc2ccon2 34a_100011217252_100000234950 [0,0,1,0,0,0|3,0,0]=4 624 B17R2.4343 CCCc1ccccc1OCc2ccon2 7a_100011217252_100000234950 [0,0,1,0,0,0|3,0,0]=4 625 B17R2.4343 CCCc1ccccc1OCc2ccsc2 34a_100011217252_100011261437 [0,0,1,0,0,0|3,0,0]=4 626 B17R2.4343 CCCc1ccccc1OCc2ccsc2 7a_100011217252_100011261437 [0,0,1,0,0,0|3,0,0]=4 627 B17R2.4343 CCCc1ccccc1OCc2cncs2 34a_100011217252_100015185245 [0,0,1,0,0,0|2,0,1]=4 628 B17R2.4343 CCCc1ccccc1OCc2cncs2 7a_100011217252_100015185245 [0,0,1,0,0,0|2,0,1]=4 629 B17R2.4343 CCCc1ccccc1OCc2cscn2 34a_100011217252_100000205941 [0,0,1,0,0,0|2,0,0]=3 630 B17R2.4343 CCCc1ccccc1OCc2cscn2 7a_100011217252_100000205941 [0,0,1,0,0,0|2,0,0]=3 631 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 34a_100011217252_100016991755 [0,0,1,0,0,0|3,0,0]=4 632 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 7a_100011217252_100000753453 [0,0,1,0,0,0|3,0,0]=4 633 B17R2.4343 CCCc1ccccc1OCc2ncco2 34a_100011217252_103436540062 [0,0,1,0,0,0|3,0,0]=4 634 B17R2.4343 CCCc1ccccc1OCc2ncco2 7a_100011217252_103436540062 [0,0,1,0,0,0|3,0,0]=4 635 B17R2.4343 CCCc1ccccc1OCc2nccs2 34a_100011217252_100015184050 [0,0,1,0,0,0|3,0,0]=4 636 B17R2.4343 CCCc1ccccc1OCc2nccs2 7a_100011217252_100015184050 [0,0,1,0,0,0|3,0,0]=4 637 B17R2.4343 CCCc1ccccc1OCc2ncon2 34a_100011217252_100000233494 [0,0,1,0,0,0|3,0,0]=4 638 B17R2.4343 CCCc1ccccc1OCn2cncn2 34a_100011217252_200020645497 [0,0,1,0,0,0|2,0,1]=4 639 B17R2.4343 CCCc1ccccc1OCn2cncn2 7a_100011217252_200020645497 [0,0,1,0,0,0|2,0,1]=4 640 B17R2.4343 CCCc1ncncc1NCc2c[nH]cn2 27a_100000758547_100009816987 [0,0,1,0,0,0|2,0,0]=3 641 B17R2.4343 CCCc1ncncc1NCc2c[nH]nn2 27a_100020620823_100009816987 [0,0,1,0,0,0|3,0,0]=4 642 B17R2.4343 CCCc1ncncc1NCc2cocn2 27a_100015188801_100009816987 [0,0,1,0,0,0|3,0,0]=4 643 B17R2.4343 CCCc1ncncc1NCc2cscn2 27a_100015185402_100009816987 [0,0,1,0,0,0|3,0,0]=4 644 B17R2.4343 CCCc1ncncc1SCc2c[nH]cn2 62a_100000707719_100009816987 [0,0,1,0,0,0|3,0,0]=4 645 B17R2.4343 CCCc1ncncc1SCc2c[nH]cn2 62a_100009816987_100000707719 [0,0,1,0,0,0|3,0,0]=4 646 B17R2.4343 CCNc1ccccc1OCc2c[nH]cn2 34a_103624766699_100000707719 [0,0,1,0,0,0|2,0,0]=3 647 B17R2.4343 CCNc1ccccc1OCc2cscn2 34a_103624766699_100000205941 [0,0,1,0,0,0|3,0,0]=4 648 B17R2.4343 CCNc1ccccc1OCc2cscn2 7a_103624766699_100000205941 [0,0,1,0,0,0|3,0,0]=4 649 B17R2.4343 CCNc1ccccc1SCc2c[nH]cn2 62a_100000707719_114873767003 [0,0,1,0,0,0|2,0,0]=3 650 B17R2.4343 CCNc1ccccc1SCc2c[nH]cn2 62a_114873767003_100000707719 [0,0,1,0,0,0|2,0,0]=3 651 B17R2.4343 CCNc1ccccc1SCc2cscn2 62a_100000205941_114873767003 [0,0,1,0,0,0|3,0,0]=4 652 B17R2.4343 CCNc1ccccc1SCc2cscn2 62a_114873767003_100000205941 [0,0,1,0,0,0|3,0,0]=4 653 B17R2.4343 CCOc1ccccc1NCc2c[nH]cn2 34a_100000211218_100000707719 [0,0,1,0,0,0|1,0,0]=2 654 B17R2.4343 CCOc1ccccc1NCc2cc[nH]n2 207a_100000211218_100000738523 [0,0,1,0,0,0|3,0,0]=4 655 B17R2.4343 CCOc1ccccc1NCc2ccco2 207a_100000211218_100000186105 [0,0,1,0,0,0|3,0,0]=4 656 B17R2.4343 CCOc1ccccc1NCc2ccco2 270302a_100000211218_100000186105 [0,0,1,0,0,0|3,0,0]=4 657 B17R2.4343 CCOc1ccccc1NCc2cccs2 207a_100000211218_100000209959 [0,0,1,0,0,0|3,0,0]=4 658 B17R2.4343 CCOc1ccccc1NCc2cccs2 270302a_100000211218_100000209959 [0,0,1,0,0,0|3,0,0]=4 659 B17R2.4343 CCOc1ccccc1NCc2ccoc2 207a_100000211218_100011215517 [0,0,1,0,0,0|3,0,0]=4 660 B17R2.4343 CCOc1ccccc1NCc2ccon2 34a_100000211218_100000234950 [0,0,1,0,0,0|3,0,0]=4 661 B17R2.4343 CCOc1ccccc1NCc2ccsc2 207a_100000211218_100000188534 [0,0,1,0,0,0|3,0,0]=4 662 B17R2.4343 CCOc1ccccc1NCc2ccsc2 270302a_100000211218_100000188534 [0,0,1,0,0,0|3,0,0]=4 663 B17R2.4343 CCOc1ccccc1NCc2ccsc2 34a_100000211218_100011261437 [0,0,1,0,0,0|3,0,0]=4 664 B17R2.4343 CCOc1ccccc1NCc2cn[nH]c2 207a_100000211218_100016992096 [0,0,1,0,0,0|3,0,0]=4 665 B17R2.4343 CCOc1ccccc1NCc2cn[nH]c2 270302a_100000211218_100016992096 [0,0,1,0,0,0|3,0,0]=4 666 B17R2.4343 CCOc1ccccc1NCc2cnc[nH]2 207a_100000211218_100000742939 [0,0,1,0,0,0|1,0,2]=4 667 B17R2.4343 CCOc1ccccc1NCc2cncs2 207a_100000211218_100000749870 [0,0,1,0,0,0|2,0,1]=4 668 B17R2.4343 CCOc1ccccc1NCc2cncs2 270302a_100000211218_100000749870 [0,0,1,0,0,0|2,0,1]=4 669 B17R2.4343 CCOc1ccccc1NCc2cncs2 34a_100000211218_100015185245 [0,0,1,0,0,0|2,0,1]=4 670 B17R2.4343 CCOc1ccccc1NCc2cscn2 207a_100000211218_100000743575 [0,0,1,0,0,0|2,0,0]=3 671 B17R2.4343 CCOc1ccccc1NCc2cscn2 270302a_100000211218_100000743575 [0,0,1,0,0,0|2,0,0]=3 672 B17R2.4343 CCOc1ccccc1NCc2cscn2 34a_100000211218_100000205941 [0,0,1,0,0,0|2,0,0]=3 673 B17R2.4343 CCOc1ccccc1NCc2ncc[nH]2 207a_100000211218_100000743867 [0,0,1,0,0,0|3,0,0]=4 674 B17R2.4343 CCOc1ccccc1NCc2ncc[nH]2 34a_100000211218_100016991755 [0,0,1,0,0,0|3,0,0]=4 675 B17R2.4343 CCOc1ccccc1NCc2ncco2 34a_100000211218_103436540062 [0,0,1,0,0,0|3,0,0]=4 676 B17R2.4343 CCOc1ccccc1NCc2nccs2 207a_100000211218_100000750902 [0,0,1,0,0,0|3,0,0]=4 677 B17R2.4343 CCOc1ccccc1NCc2nccs2 270302a_100000211218_100000750902 [0,0,1,0,0,0|3,0,0]=4 678 B17R2.4343 CCOc1ccccc1NCc2nccs2 34a_100000211218_100015184050 [0,0,1,0,0,0|3,0,0]=4 679 B17R2.4343 CCOc1ccccc1NCc2ncon2 34a_100000211218_100000233494 [0,0,1,0,0,0|3,0,0]=4 680 B17R2.4343 CCOc1ccccc1NCn2cncn2 34a_100000211218_200020645497 [0,0,1,0,0,0|2,0,1]=4 681 B17R2.4343 CCOc1ccccc1OCc2c[nH]cn2 34a_100000211404_100000707719 [0,0,1,0,0,0|2,0,0]=3 682 B17R2.4343 CCOc1ccccc1OCc2cscn2 34a_100000211404_100000205941 [0,0,1,0,0,0|3,0,0]=4 683 B17R2.4343 CCOc1ccccc1OCc2cscn2 7a_100000211404_100000205941 [0,0,1,0,0,0|3,0,0]=4 684 B17R2.4343 CCOc1ccccc1SCc2c[nH]cn2 62a_100000230754_100000707719 [0,0,1,0,0,0|2,0,0]=3 685 B17R2.4343 CCOc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000230754 [0,0,1,0,0,0|2,0,0]=3 686 B17R2.4343 CCOc1ccccc1SCc2cscn2 62a_100000205941_100000230754 [0,0,1,0,0,0|3,0,0]=4 687 B17R2.4343 CCOc1ccccc1SCc2cscn2 62a_100000230754_100000205941 [0,0,1,0,0,0|3,0,0]=4 688 B17R2.4343 CCOc1cccnc1SCc2c[nH]cn2 62a_100000707719_100011597540 [0,0,1,0,0,0|3,0,0]=4 689 B17R2.4343 CCOc1cccnc1SCc2c[nH]cn2 62a_100011597540_100000707719 [0,0,1,0,0,0|3,0,0]=4 690 B17R2.4343 CCOc1ncccc1OCc2c[nH]cn2 34a_100011998697_100000707719 [0,0,1,0,0,0|3,0,0]=4 691 B17R2.4343 CCOc1ncccc1SCc2c[nH]cn2 62a_100000707719_100011465154 [0,0,1,0,0,0|3,0,0]=4 692 B17R2.4343 CCOc1ncccc1SCc2c[nH]cn2 62a_100011465154_100000707719 [0,0,1,0,0,0|3,0,0]=4 693 B17R2.4343 CCOc1nccnc1NCc2c[nH]cn2 27a_100000758547_200010128176 [0,0,1,0,0,0|3,0,0]=4 694 B17R2.4343 CCSc1ccccc1NCc2c[nH]cn2 34a_100011223125_100000707719 [0,0,1,0,0,0|1,0,0]=2 695 B17R2.4343 CCSc1ccccc1NCc2cc[nH]n2 207a_100011223125_100000738523 [0,0,1,0,0,0|3,0,0]=4 696 B17R2.4343 CCSc1ccccc1NCc2ccco2 207a_100011223125_100000186105 [0,0,1,0,0,0|3,0,0]=4 697 B17R2.4343 CCSc1ccccc1NCc2ccco2 270302a_100011223125_100000186105 [0,0,1,0,0,0|3,0,0]=4 698 B17R2.4343 CCSc1ccccc1NCc2cccs2 207a_100011223125_100000209959 [0,0,1,0,0,0|3,0,0]=4 699 B17R2.4343 CCSc1ccccc1NCc2cccs2 270302a_100011223125_100000209959 [0,0,1,0,0,0|3,0,0]=4 700 B17R2.4343 CCSc1ccccc1NCc2ccoc2 207a_100011223125_100011215517 [0,0,1,0,0,0|3,0,0]=4 701 B17R2.4343 CCSc1ccccc1NCc2ccon2 34a_100011223125_100000234950 [0,0,1,0,0,0|3,0,0]=4 702 B17R2.4343 CCSc1ccccc1NCc2ccsc2 207a_100011223125_100000188534 [0,0,1,0,0,0|3,0,0]=4 703 B17R2.4343 CCSc1ccccc1NCc2ccsc2 270302a_100011223125_100000188534 [0,0,1,0,0,0|3,0,0]=4 704 B17R2.4343 CCSc1ccccc1NCc2ccsc2 34a_100011223125_100011261437 [0,0,1,0,0,0|3,0,0]=4 705 B17R2.4343 CCSc1ccccc1NCc2cn[nH]c2 207a_100011223125_100016992096 [0,0,1,0,0,0|3,0,0]=4 706 B17R2.4343 CCSc1ccccc1NCc2cn[nH]c2 270302a_100011223125_100016992096 [0,0,1,0,0,0|3,0,0]=4 707 B17R2.4343 CCSc1ccccc1NCc2cnc[nH]2 207a_100011223125_100000742939 [0,0,1,0,0,0|1,0,2]=4 708 B17R2.4343 CCSc1ccccc1NCc2cncs2 207a_100011223125_100000749870 [0,0,1,0,0,0|2,0,1]=4 709 B17R2.4343 CCSc1ccccc1NCc2cncs2 270302a_100011223125_100000749870 [0,0,1,0,0,0|2,0,1]=4 710 B17R2.4343 CCSc1ccccc1NCc2cncs2 34a_100011223125_100015185245 [0,0,1,0,0,0|2,0,1]=4 711 B17R2.4343 CCSc1ccccc1NCc2cscn2 207a_100011223125_100000743575 [0,0,1,0,0,0|2,0,0]=3 712 B17R2.4343 CCSc1ccccc1NCc2cscn2 270302a_100011223125_100000743575 [0,0,1,0,0,0|2,0,0]=3 713 B17R2.4343 CCSc1ccccc1NCc2cscn2 34a_100011223125_100000205941 [0,0,1,0,0,0|2,0,0]=3 714 B17R2.4343 CCSc1ccccc1NCc2ncc[nH]2 207a_100011223125_100000743867 [0,0,1,0,0,0|3,0,0]=4 715 B17R2.4343 CCSc1ccccc1NCc2ncc[nH]2 34a_100011223125_100016991755 [0,0,1,0,0,0|3,0,0]=4 716 B17R2.4343 CCSc1ccccc1NCc2ncco2 34a_100011223125_103436540062 [0,0,1,0,0,0|3,0,0]=4 717 B17R2.4343 CCSc1ccccc1NCc2nccs2 207a_100011223125_100000750902 [0,0,1,0,0,0|3,0,0]=4 718 B17R2.4343 CCSc1ccccc1NCc2nccs2 270302a_100011223125_100000750902 [0,0,1,0,0,0|3,0,0]=4 719 B17R2.4343 CCSc1ccccc1NCc2nccs2 34a_100011223125_100015184050 [0,0,1,0,0,0|3,0,0]=4 720 B17R2.4343 CCSc1ccccc1NCc2ncon2 34a_100011223125_100000233494 [0,0,1,0,0,0|3,0,0]=4 721 B17R2.4343 CCSc1ccccc1NCn2cncn2 34a_100011223125_200020645497 [0,0,1,0,0,0|2,0,1]=4 722 B17R2.4343 CCSc1ccccc1SCc2c[nH]cn2 62a_100000230856_100000707719 [0,0,1,0,0,0|2,0,0]=3 723 B17R2.4343 CCSc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000230856 [0,0,1,0,0,0|2,0,0]=3 724 B17R2.4343 CCSc1ccccc1SCc2cscn2 62a_100000205941_100000230856 [0,0,1,0,0,0|3,0,0]=4 725 B17R2.4343 CCSc1ccccc1SCc2cscn2 62a_100000230856_100000205941 [0,0,1,0,0,0|3,0,0]=4 726 B17R2.4343 CNCc1ccccc1OCc2c[nH]cn2 34a_100015189988_100000707719 [0,0,1,0,0,0|2,0,0]=3 727 B17R2.4343 CNCc1ccccc1OCc2cscn2 34a_100015189988_100000205941 [0,0,1,0,0,0|3,0,0]=4 728 B17R2.4343 CNCc1ccccc1SCc2c[nH]cn2 62a_100000184654_100000707719 [0,0,1,0,0,0|2,0,0]=3 729 B17R2.4343 CNCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000184654 [0,0,1,0,0,0|2,0,0]=3 730 B17R2.4343 CNCc1ccccc1SCc2cscn2 62a_100000184654_100000205941 [0,0,1,0,0,0|3,0,0]=4 731 B17R2.4343 CNCc1ccccc1SCc2cscn2 62a_100000205941_100000184654 [0,0,1,0,0,0|3,0,0]=4 732 B17R2.4343 CNCc1cccnc1SCc2c[nH]cn2 62a_100000707719_103496529121 [0,0,1,0,0,0|3,0,0]=4 733 B17R2.4343 CNCc1cccnc1SCc2c[nH]cn2 62a_103496529121_100000707719 [0,0,1,0,0,0|3,0,0]=4 734 B17R2.4343 COCc1ccccc1OCc2c[nH]cn2 34a_100011488565_100000707719 [0,0,1,0,0,0|2,0,0]=3 735 B17R2.4343 COCc1ccccc1OCc2cscn2 34a_100011488565_100000205941 [0,0,1,0,0,0|3,0,0]=4 736 B17R2.4343 COCc1ccccc1OCc2cscn2 7a_100011488565_100000205941 [0,0,1,0,0,0|3,0,0]=4 737 B17R2.4343 COCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100011493684 [0,0,1,0,0,0|2,0,0]=3 738 B17R2.4343 COCc1ccccc1SCc2c[nH]cn2 62a_100011493684_100000707719 [0,0,1,0,0,0|2,0,0]=3 739 B17R2.4343 COCc1ccccc1SCc2cscn2 62a_100000205941_100011493684 [0,0,1,0,0,0|3,0,0]=4 740 B17R2.4343 COCc1ccccc1SCc2cscn2 62a_100011493684_100000205941 [0,0,1,0,0,0|3,0,0]=4 741 B17R2.4343 CSCc1ccccc1SCc2c[nH]cn2 62a_100000148299_100000707719 [0,0,1,0,0,0|2,0,0]=3 742 B17R2.4343 CSCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000148299 [0,0,1,0,0,0|2,0,0]=3 743 B17R2.4343 CSCc1ccccc1SCc2cscn2 62a_100000148299_100000205941 [0,0,1,0,0,0|3,0,0]=4 744 B17R2.4343 CSCc1ccccc1SCc2cscn2 62a_100000205941_100000148299 [0,0,1,0,0,0|3,0,0]=4 745 B17R2.4343 N#CCc1ccccc1OCc2c[nH]cn2 34a_100000043107_100000707719 [0,0,1,0,0,0|2,0,1]=4 746 B17R2.4343 N#CCc1ccccc1SCc2c[nH]cn2 62a_100000033512_100000707719 [0,0,1,0,0,0|2,0,1]=4 747 B17R2.4343 N#CCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000033512 [0,0,1,0,0,0|2,0,1]=4 748 B17R2.4343 NCCc1ccccc1OCc2c[nH]cn2 34a_100011207237_100000707719 [0,0,1,0,0,0|2,0,0]=3 749 B17R2.4343 NCCc1ccccc1OCc2cscn2 34a_100011207237_100000205941 [0,0,1,0,0,0|3,0,0]=4 750 B17R2.4343 NCCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000747383 [0,0,1,0,0,0|2,0,0]=3 751 B17R2.4343 NCCc1ccccc1SCc2c[nH]cn2 62a_100000747383_100000707719 [0,0,1,0,0,0|2,0,0]=3 752 B17R2.4343 NCCc1ccccc1SCc2cscn2 62a_100000205941_100000747383 [0,0,1,0,0,0|3,0,0]=4 753 B17R2.4343 NCCc1ccccc1SCc2cscn2 62a_100000747383_100000205941 [0,0,1,0,0,0|3,0,0]=4 754 B17R2.4343 NNCc1ccccc1SCc2c[nH]cn2 62a_100000707719_200016993956 [0,0,1,0,0,0|3,0,0]=4 755 B17R2.4343 NNCc1ccccc1SCc2c[nH]cn2 62a_200016993956_100000707719 [0,0,1,0,0,0|3,0,0]=4 756 B17R2.4343 OCCc1ccccc1NCc2c[nH]cn2 2230a_100011215289_100000707719 [0,0,1,0,0,0|1,0,0]=2 757 B17R2.4343 OCCc1ccccc1NCc2c[nH]cn2 34a_100011215289_100000707719 [0,0,1,0,0,0|1,0,0]=2 758 B17R2.4343 OCCc1ccccc1NCc2cc[nH]n2 207a_100011215289_100000738523 [0,0,1,0,0,0|3,0,0]=4 759 B17R2.4343 OCCc1ccccc1NCc2ccco2 207a_100011215289_100000186105 [0,0,1,0,0,0|3,0,0]=4 760 B17R2.4343 OCCc1ccccc1NCc2ccco2 270302a_100011215289_100000186105 [0,0,1,0,0,0|3,0,0]=4 761 B17R2.4343 OCCc1ccccc1NCc2cccs2 207a_100011215289_100000209959 [0,0,1,0,0,0|3,0,0]=4 762 B17R2.4343 OCCc1ccccc1NCc2cccs2 270302a_100011215289_100000209959 [0,0,1,0,0,0|3,0,0]=4 763 B17R2.4343 OCCc1ccccc1NCc2ccoc2 207a_100011215289_100011215517 [0,0,1,0,0,0|3,0,0]=4 764 B17R2.4343 OCCc1ccccc1NCc2ccon2 2230a_100011215289_100000234950 [0,0,1,0,0,0|3,0,0]=4 765 B17R2.4343 OCCc1ccccc1NCc2ccon2 34a_100011215289_100000234950 [0,0,1,0,0,0|3,0,0]=4 766 B17R2.4343 OCCc1ccccc1NCc2ccsc2 207a_100011215289_100000188534 [0,0,1,0,0,0|3,0,0]=4 767 B17R2.4343 OCCc1ccccc1NCc2ccsc2 2230a_100011215289_100011261437 [0,0,1,0,0,0|3,0,0]=4 768 B17R2.4343 OCCc1ccccc1NCc2ccsc2 270302a_100011215289_100000188534 [0,0,1,0,0,0|3,0,0]=4 769 B17R2.4343 OCCc1ccccc1NCc2ccsc2 34a_100011215289_100011261437 [0,0,1,0,0,0|3,0,0]=4 770 B17R2.4343 OCCc1ccccc1NCc2cn[nH]c2 207a_100011215289_100016992096 [0,0,1,0,0,0|3,0,0]=4 771 B17R2.4343 OCCc1ccccc1NCc2cn[nH]c2 270302a_100011215289_100016992096 [0,0,1,0,0,0|3,0,0]=4 772 B17R2.4343 OCCc1ccccc1NCc2cnc[nH]2 207a_100011215289_100000742939 [0,0,1,0,0,0|1,0,2]=4 773 B17R2.4343 OCCc1ccccc1NCc2cncs2 207a_100011215289_100000749870 [0,0,1,0,0,0|2,0,1]=4 774 B17R2.4343 OCCc1ccccc1NCc2cncs2 2230a_100011215289_100015185245 [0,0,1,0,0,0|2,0,1]=4 775 B17R2.4343 OCCc1ccccc1NCc2cncs2 270302a_100011215289_100000749870 [0,0,1,0,0,0|2,0,1]=4 776 B17R2.4343 OCCc1ccccc1NCc2cncs2 34a_100011215289_100015185245 [0,0,1,0,0,0|2,0,1]=4 777 B17R2.4343 OCCc1ccccc1NCc2cscn2 207a_100011215289_100000743575 [0,0,1,0,0,0|2,0,0]=3 778 B17R2.4343 OCCc1ccccc1NCc2cscn2 2230a_100011215289_100000205941 [0,0,1,0,0,0|2,0,0]=3 779 B17R2.4343 OCCc1ccccc1NCc2cscn2 270302a_100011215289_100000743575 [0,0,1,0,0,0|2,0,0]=3 780 B17R2.4343 OCCc1ccccc1NCc2cscn2 34a_100011215289_100000205941 [0,0,1,0,0,0|2,0,0]=3 781 B17R2.4343 OCCc1ccccc1NCc2ncc[nH]2 207a_100011215289_100000743867 [0,0,1,0,0,0|3,0,0]=4 782 B17R2.4343 OCCc1ccccc1NCc2ncc[nH]2 2230a_100011215289_100016991755 [0,0,1,0,0,0|3,0,0]=4 783 B17R2.4343 OCCc1ccccc1NCc2ncc[nH]2 34a_100011215289_100016991755 [0,0,1,0,0,0|3,0,0]=4 784 B17R2.4343 OCCc1ccccc1NCc2ncco2 2230a_100011215289_103436540062 [0,0,1,0,0,0|3,0,0]=4 785 B17R2.4343 OCCc1ccccc1NCc2ncco2 34a_100011215289_103436540062 [0,0,1,0,0,0|3,0,0]=4 786 B17R2.4343 OCCc1ccccc1NCc2nccs2 207a_100011215289_100000750902 [0,0,1,0,0,0|3,0,0]=4 787 B17R2.4343 OCCc1ccccc1NCc2nccs2 2230a_100011215289_100015184050 [0,0,1,0,0,0|3,0,0]=4 788 B17R2.4343 OCCc1ccccc1NCc2nccs2 270302a_100011215289_100000750902 [0,0,1,0,0,0|3,0,0]=4 789 B17R2.4343 OCCc1ccccc1NCc2nccs2 34a_100011215289_100015184050 [0,0,1,0,0,0|3,0,0]=4 790 B17R2.4343 OCCc1ccccc1NCc2ncon2 34a_100011215289_100000233494 [0,0,1,0,0,0|3,0,0]=4 791 B17R2.4343 OCCc1ccccc1NCn2cncn2 2230a_100011215289_200020645497 [0,0,1,0,0,0|2,0,1]=4 792 B17R2.4343 OCCc1ccccc1NCn2cncn2 34a_100011215289_200020645497 [0,0,1,0,0,0|2,0,1]=4 793 B17R2.4343 OCCc1ccccc1OCc2c[nH]cn2 34a_100000719421_100000707719 [0,0,1,0,0,0|2,0,0]=3 794 B17R2.4343 OCCc1ccccc1OCc2cscn2 34a_100000719421_100000205941 [0,0,1,0,0,0|3,0,0]=4 795 B17R2.4343 OCCc1ccccc1OCc2cscn2 7a_100000719421_100000205941 [0,0,1,0,0,0|3,0,0]=4 796 B17R2.4343 OCCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000731337 [0,0,1,0,0,0|2,0,0]=3 797 B17R2.4343 OCCc1ccccc1SCc2c[nH]cn2 62a_100000731337_100000707719 [0,0,1,0,0,0|2,0,0]=3 798 B17R2.4343 OCCc1ccccc1SCc2cscn2 62a_100000205941_100000731337 [0,0,1,0,0,0|3,0,0]=4 799 B17R2.4343 OCCc1ccccc1SCc2cscn2 62a_100000731337_100000205941 [0,0,1,0,0,0|3,0,0]=4 800 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2C 269982a_100000211084_100000737910 [0,0,1,0,0,0|2,0,1]=4 801 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2C 34a_100000211084_100000737910 [0,0,1,0,0,0|2,0,1]=4 802 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2Br 2230a_114873767003_100000707719 [0,0,1,0,0,0|1,0,0]=2 803 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2Br 269982a_114873767003_100000707719 [0,0,1,0,0,0|1,0,0]=2 804 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2Br 34a_114873767003_100000707719 [0,0,1,0,0,0|1,0,0]=2 805 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2C 2230a_100000211084_100000707719 [0,0,1,0,0,0|0,0,0]=1 806 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2C 269982a_100000211084_100000707719 [0,0,1,0,0,0|0,0,0]=1 807 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2C 34a_100000211084_100000707719 [0,0,1,0,0,0|0,0,0]=1 808 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2F 2230a_100000220365_100000707719 [0,0,1,0,0,0|1,0,0]=2 809 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2F 269982a_100000220365_100000707719 [0,0,1,0,0,0|1,0,0]=2 810 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2F 34a_100000220365_100000707719 [0,0,1,0,0,0|1,0,0]=2 811 B17R2.48520 CCN(Cc1c[nH]cn1)c2ccccc2O 269982a_103624766699_100000707719 [0,0,1,0,0,0|1,0,0]=2 812 B17R2.48520 CCN(Cc1ccco1)c2ccncc2C 27a_100000739255_100000765111 [0,0,1,0,0,0|3,0,0]=4 813 B17R2.48520 CCN(Cc1cccs1)c2ccncc2C 27a_100025770963_100000765111 [0,0,1,0,0,0|3,0,0]=4 814 B17R2.48520 CCN(Cc1ccn[nH]1)c2ccccc2C 2230a_100000211084_100000728653 [0,0,1,0,0,0|2,0,1]=4 815 B17R2.48520 CCN(Cc1ccn[nH]1)c2ccccc2C 269982a_100000211084_100000728653 [0,0,1,0,0,0|2,0,1]=4 816 B17R2.48520 CCN(Cc1ccn[nH]1)c2ccccc2C 34a_100000211084_100000728653 [0,0,1,0,0,0|2,0,1]=4 817 B17R2.48520 CCN(Cc1ccon1)c2ccccc2Br 2230a_114873767003_100000234950 [0,0,1,0,0,0|3,0,0]=4 818 B17R2.48520 CCN(Cc1ccon1)c2ccccc2Br 269982a_114873767003_100000234950 [0,0,1,0,0,0|3,0,0]=4 819 B17R2.48520 CCN(Cc1ccon1)c2ccccc2Br 34a_114873767003_100000234950 [0,0,1,0,0,0|3,0,0]=4 820 B17R2.48520 CCN(Cc1ccon1)c2ccccc2C 2230a_100000211084_100000234950 [0,0,1,0,0,0|2,0,0]=3 821 B17R2.48520 CCN(Cc1ccon1)c2ccccc2C 269982a_100000211084_100000234950 [0,0,1,0,0,0|2,0,0]=3 822 B17R2.48520 CCN(Cc1ccon1)c2ccccc2C 34a_100000211084_100000234950 [0,0,1,0,0,0|2,0,0]=3 823 B17R2.48520 CCN(Cc1ccon1)c2ccccc2F 2230a_100000220365_100000234950 [0,0,1,0,0,0|3,0,0]=4 824 B17R2.48520 CCN(Cc1ccon1)c2ccccc2F 269982a_100000220365_100000234950 [0,0,1,0,0,0|3,0,0]=4 825 B17R2.48520 CCN(Cc1ccon1)c2ccccc2F 34a_100000220365_100000234950 [0,0,1,0,0,0|3,0,0]=4 826 B17R2.48520 CCN(Cc1ccon1)c2ccccc2O 269982a_103624766699_100000234950 [0,0,1,0,0,0|3,0,0]=4 827 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2Br 2230a_114873767003_100011261437 [0,0,1,0,0,0|3,0,0]=4 828 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2Br 269982a_114873767003_100011233845 [0,0,1,0,0,0|3,0,0]=4 829 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2Br 34a_114873767003_100011261437 [0,0,1,0,0,0|3,0,0]=4 830 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2C 2230a_100000211084_100011261437 [0,0,1,0,0,0|2,0,0]=3 831 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2C 269982a_100000211084_100011233845 [0,0,1,0,0,0|2,0,0]=3 832 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2C 34a_100000211084_100011261437 [0,0,1,0,0,0|2,0,0]=3 833 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2F 2230a_100000220365_100011261437 [0,0,1,0,0,0|3,0,0]=4 834 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2F 269982a_100000220365_100011233845 [0,0,1,0,0,0|3,0,0]=4 835 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2F 34a_100000220365_100011261437 [0,0,1,0,0,0|3,0,0]=4 836 B17R2.48520 CCN(Cc1ccsc1)c2ccccc2O 269982a_103624766699_100011233845 [0,0,1,0,0,0|3,0,0]=4 837 B17R2.48520 CCN(Cc1cncs1)c2ccccc2Br 2230a_114873767003_100015185245 [0,0,1,0,0,0|2,0,1]=4 838 B17R2.48520 CCN(Cc1cncs1)c2ccccc2Br 269982a_114873767003_100015185245 [0,0,1,0,0,0|2,0,1]=4 839 B17R2.48520 CCN(Cc1cncs1)c2ccccc2Br 34a_114873767003_100015185245 [0,0,1,0,0,0|2,0,1]=4 840 B17R2.48520 CCN(Cc1cncs1)c2ccccc2C 2230a_100000211084_100015185245 [0,0,1,0,0,0|1,0,1]=3 841 B17R2.48520 CCN(Cc1cncs1)c2ccccc2C 269982a_100000211084_100015185245 [0,0,1,0,0,0|1,0,1]=3 842 B17R2.48520 CCN(Cc1cncs1)c2ccccc2C 34a_100000211084_100015185245 [0,0,1,0,0,0|1,0,1]=3 843 B17R2.48520 CCN(Cc1cncs1)c2ccccc2F 2230a_100000220365_100015185245 [0,0,1,0,0,0|2,0,1]=4 844 B17R2.48520 CCN(Cc1cncs1)c2ccccc2F 269982a_100000220365_100015185245 [0,0,1,0,0,0|2,0,1]=4 845 B17R2.48520 CCN(Cc1cncs1)c2ccccc2F 34a_100000220365_100015185245 [0,0,1,0,0,0|2,0,1]=4 846 B17R2.48520 CCN(Cc1cncs1)c2ccccc2O 269982a_103624766699_100015185245 [0,0,1,0,0,0|2,0,1]=4 847 B17R2.48520 CCN(Cc1cscn1)c2ccccc2Br 2230a_114873767003_100000205941 [0,0,1,0,0,0|2,0,0]=3 848 B17R2.48520 CCN(Cc1cscn1)c2ccccc2Br 269982a_114873767003_100000205941 [0,0,1,0,0,0|2,0,0]=3 849 B17R2.48520 CCN(Cc1cscn1)c2ccccc2Br 34a_114873767003_100000205941 [0,0,1,0,0,0|2,0,0]=3 850 B17R2.48520 CCN(Cc1cscn1)c2ccccc2C 2230a_100000211084_100000205941 [0,0,1,0,0,0|1,0,0]=2 851 B17R2.48520 CCN(Cc1cscn1)c2ccccc2C 269982a_100000211084_100000205941 [0,0,1,0,0,0|1,0,0]=2 852 B17R2.48520 CCN(Cc1cscn1)c2ccccc2C 34a_100000211084_100000205941 [0,0,1,0,0,0|1,0,0]=2 853 B17R2.48520 CCN(Cc1cscn1)c2ccccc2F 2230a_100000220365_100000205941 [0,0,1,0,0,0|2,0,0]=3 854 B17R2.48520 CCN(Cc1cscn1)c2ccccc2F 269982a_100000220365_100000205941 [0,0,1,0,0,0|2,0,0]=3 855 B17R2.48520 CCN(Cc1cscn1)c2ccccc2F 34a_100000220365_100000205941 [0,0,1,0,0,0|2,0,0]=3 856 B17R2.48520 CCN(Cc1cscn1)c2ccccc2O 269982a_103624766699_100000205941 [0,0,1,0,0,0|2,0,0]=3 857 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2Br 2230a_114873767003_100016991755 [0,0,1,0,0,0|3,0,0]=4 858 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2Br 269982a_114873767003_100016991755 [0,0,1,0,0,0|3,0,0]=4 859 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2Br 34a_114873767003_100016991755 [0,0,1,0,0,0|3,0,0]=4 860 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2C 2230a_100000211084_100016991755 [0,0,1,0,0,0|2,0,0]=3 861 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2C 269982a_100000211084_100016991755 [0,0,1,0,0,0|2,0,0]=3 862 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2C 34a_100000211084_100016991755 [0,0,1,0,0,0|2,0,0]=3 863 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2F 2230a_100000220365_100016991755 [0,0,1,0,0,0|3,0,0]=4 864 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2F 269982a_100000220365_100016991755 [0,0,1,0,0,0|3,0,0]=4 865 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2F 34a_100000220365_100016991755 [0,0,1,0,0,0|3,0,0]=4 866 B17R2.48520 CCN(Cc1ncc[nH]1)c2ccccc2O 269982a_103624766699_100016991755 [0,0,1,0,0,0|3,0,0]=4 867 B17R2.48520 CCN(Cc1ncco1)c2ccccc2Br 2230a_114873767003_103436540062 [0,0,1,0,0,0|3,0,0]=4 868 B17R2.48520 CCN(Cc1ncco1)c2ccccc2Br 269982a_114873767003_103436540062 [0,0,1,0,0,0|3,0,0]=4 869 B17R2.48520 CCN(Cc1ncco1)c2ccccc2Br 34a_114873767003_103436540062 [0,0,1,0,0,0|3,0,0]=4 870 B17R2.48520 CCN(Cc1ncco1)c2ccccc2C 2230a_100000211084_103436540062 [0,0,1,0,0,0|2,0,0]=3 871 B17R2.48520 CCN(Cc1ncco1)c2ccccc2C 269982a_100000211084_103436540062 [0,0,1,0,0,0|2,0,0]=3 872 B17R2.48520 CCN(Cc1ncco1)c2ccccc2C 34a_100000211084_103436540062 [0,0,1,0,0,0|2,0,0]=3 873 B17R2.48520 CCN(Cc1ncco1)c2ccccc2F 2230a_100000220365_103436540062 [0,0,1,0,0,0|3,0,0]=4 874 B17R2.48520 CCN(Cc1ncco1)c2ccccc2F 269982a_100000220365_103436540062 [0,0,1,0,0,0|3,0,0]=4 875 B17R2.48520 CCN(Cc1ncco1)c2ccccc2F 34a_100000220365_103436540062 [0,0,1,0,0,0|3,0,0]=4 876 B17R2.48520 CCN(Cc1ncco1)c2ccccc2O 269982a_103624766699_103436540062 [0,0,1,0,0,0|3,0,0]=4 877 B17R2.48520 CCN(Cc1nccs1)c2ccccc2Br 2230a_114873767003_100015184050 [0,0,1,0,0,0|3,0,0]=4 878 B17R2.48520 CCN(Cc1nccs1)c2ccccc2Br 269982a_114873767003_100015184050 [0,0,1,0,0,0|3,0,0]=4 879 B17R2.48520 CCN(Cc1nccs1)c2ccccc2Br 34a_114873767003_100015184050 [0,0,1,0,0,0|3,0,0]=4 880 B17R2.48520 CCN(Cc1nccs1)c2ccccc2C 2230a_100000211084_100015184050 [0,0,1,0,0,0|2,0,0]=3 881 B17R2.48520 CCN(Cc1nccs1)c2ccccc2C 269982a_100000211084_100015184050 [0,0,1,0,0,0|2,0,0]=3 882 B17R2.48520 CCN(Cc1nccs1)c2ccccc2C 34a_100000211084_100015184050 [0,0,1,0,0,0|2,0,0]=3 883 B17R2.48520 CCN(Cc1nccs1)c2ccccc2F 2230a_100000220365_100015184050 [0,0,1,0,0,0|3,0,0]=4 884 B17R2.48520 CCN(Cc1nccs1)c2ccccc2F 269982a_100000220365_100015184050 [0,0,1,0,0,0|3,0,0]=4 885 B17R2.48520 CCN(Cc1nccs1)c2ccccc2F 34a_100000220365_100015184050 [0,0,1,0,0,0|3,0,0]=4 886 B17R2.48520 CCN(Cc1nccs1)c2ccccc2O 269982a_103624766699_100015184050 [0,0,1,0,0,0|3,0,0]=4 887 B17R2.48520 CCN(Cc1ncon1)c2ccccc2Br 269982a_114873767003_100000233494 [0,0,1,0,0,0|3,0,0]=4 888 B17R2.48520 CCN(Cc1ncon1)c2ccccc2Br 34a_114873767003_100000233494 [0,0,1,0,0,0|3,0,0]=4 889 B17R2.48520 CCN(Cc1ncon1)c2ccccc2C 269982a_100000211084_100000233494 [0,0,1,0,0,0|2,0,0]=3 890 B17R2.48520 CCN(Cc1ncon1)c2ccccc2C 34a_100000211084_100000233494 [0,0,1,0,0,0|2,0,0]=3 891 B17R2.48520 CCN(Cc1ncon1)c2ccccc2F 269982a_100000220365_100000233494 [0,0,1,0,0,0|3,0,0]=4 892 B17R2.48520 CCN(Cc1ncon1)c2ccccc2F 34a_100000220365_100000233494 [0,0,1,0,0,0|3,0,0]=4 893 B17R2.48520 CCN(Cc1ncon1)c2ccccc2O 269982a_103624766699_100000233494 [0,0,1,0,0,0|3,0,0]=4 894 B17R2.48520 CCN(Cc1nnn[nH]1)c2ccccc2C 269982a_100000211084_100000765167 [0,0,1,0,0,0|2,0,1]=4 895 B17R2.48520 CCN(Cc1nnn[nH]1)c2ccccc2C 34a_100000211084_100000765167 [0,0,1,0,0,0|2,0,1]=4 896 B17R2.48520 CCN(Cn1cncn1)c2ccccc2Br 2230a_114873767003_200020645497 [0,0,1,0,0,0|2,0,1]=4 897 B17R2.48520 CCN(Cn1cncn1)c2ccccc2Br 269982a_114873767003_200020645497 [0,0,1,0,0,0|2,0,1]=4 898 B17R2.48520 CCN(Cn1cncn1)c2ccccc2Br 34a_114873767003_200020645497 [0,0,1,0,0,0|2,0,1]=4 899 B17R2.48520 CCN(Cn1cncn1)c2ccccc2C 2230a_100000211084_200020645497 [0,0,1,0,0,0|1,0,1]=3 900 B17R2.48520 CCN(Cn1cncn1)c2ccccc2C 269982a_100000211084_200020645497 [0,0,1,0,0,0|1,0,1]=3 901 B17R2.48520 CCN(Cn1cncn1)c2ccccc2C 34a_100000211084_200020645497 [0,0,1,0,0,0|1,0,1]=3 902 B17R2.48520 CCN(Cn1cncn1)c2ccccc2F 2230a_100000220365_200020645497 [0,0,1,0,0,0|2,0,1]=4 903 B17R2.48520 CCN(Cn1cncn1)c2ccccc2F 269982a_100000220365_200020645497 [0,0,1,0,0,0|2,0,1]=4 904 B17R2.48520 CCN(Cn1cncn1)c2ccccc2F 34a_100000220365_200020645497 [0,0,1,0,0,0|2,0,1]=4 905 B17R2.48520 CCN(Cn1cncn1)c2ccccc2O 269982a_103624766699_200020645497 [0,0,1,0,0,0|2,0,1]=4 906 B17R3.2681 c1ccc2c(c1)CCC2Sc3c[nH]cn3 62a_100000756875_200000721974 [0,0,0,0,1,0|2,0,0]=3 907 B17R3.2681 c1ccc2c(c1)CCC2Sc3c[nH]nn3 62a_100009819707_200000721974 [0,0,0,0,1,0|3,0,0]=4 908 B17R3.2681 c1ccc2c(c1)CCC2Sc3cscn3 62a_100000751502_200000721974 [0,0,0,0,1,0|3,0,0]=4 909 B17R3.2681 c1ccc2c(c1)CCC2Sc3nc[nH]n3 62a_100000761765_200000721974 [0,0,0,0,1,0|3,0,0]=4 910 B19R3.28 c1ccc2c(c1)CCC[C@@H]2Nc3ccncn3 27a_100020654734_100000703185 [0,0,0,0,0,1|2,0,1]=4 911 B19R3.28 c1ccc2c(c1)CCC[C@@H]2Nc3cnccn3 27a_100020654734_100000211759 [0,0,0,0,0,1|2,0,1]=4 912 B19R3.28 c1cnc(nc1)N[C@H]2CCCc3c2cccc3 27a_100020654734_100000211032 [0,0,0,0,0,1|3,0,0]=4 913 B19R3.28 c1cnnc(c1)N[C@H]2CCCc3c2cccc3 27a_100020654734_100016991348 [0,0,0,0,0,1|3,0,0]=4 914 B19R3.2360 c1ccc2c(c1)CCCN(C2)CC3=NCCN3 269982a_100000059810_100000737910 [0,0,0,0,0,1|2,0,1]=4 915 B19R3.2360 c1ccc2c(c1)CCCN(C2)CC3=NCCN3 34a_100000059810_100000737910 [0,0,0,0,0,1|2,0,1]=4 916 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3c[nH]cn3 2230a_100000059810_100000707719 [0,0,0,0,0,1|0,0,0]=1 917 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3c[nH]cn3 269982a_100000059810_100000707719 [0,0,0,0,0,1|0,0,0]=1 918 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3c[nH]cn3 34a_100000059810_100000707719 [0,0,0,0,0,1|0,0,0]=1 919 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cc[nH]n3 270004a_100000059810_100000738523 [0,0,0,0,0,1|2,0,0]=3 920 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccn[nH]3 2230a_100000059810_100000728653 [0,0,0,0,0,1|2,0,1]=4 921 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccn[nH]3 269982a_100000059810_100000728653 [0,0,0,0,0,1|2,0,1]=4 922 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccn[nH]3 34a_100000059810_100000728653 [0,0,0,0,0,1|2,0,1]=4 923 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccoc3 270004a_100000059810_100011215517 [0,0,0,0,0,1|2,0,0]=3 924 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccon3 2230a_100000059810_100000234950 [0,0,0,0,0,1|2,0,0]=3 925 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccon3 269982a_100000059810_100000234950 [0,0,0,0,0,1|2,0,0]=3 926 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccon3 34a_100000059810_100000234950 [0,0,0,0,0,1|2,0,0]=3 927 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccsc3 2230a_100000059810_100011261437 [0,0,0,0,0,1|2,0,0]=3 928 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccsc3 269982a_100000059810_100011233845 [0,0,0,0,0,1|2,0,0]=3 929 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccsc3 270004a_100000059810_100000188534 [0,0,0,0,0,1|2,0,0]=3 930 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ccsc3 34a_100000059810_100011261437 [0,0,0,0,0,1|2,0,0]=3 931 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cn[nH]c3 270004a_100000059810_100016992096 [0,0,0,0,0,1|2,0,0]=3 932 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cnco3 270004a_100000059810_100000064291 [0,0,0,0,0,1|1,0,1]=3 933 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cncs3 2230a_100000059810_100015185245 [0,0,0,0,0,1|1,0,1]=3 934 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cncs3 269982a_100000059810_100015185245 [0,0,0,0,0,1|1,0,1]=3 935 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cncs3 270004a_100000059810_100000749870 [0,0,0,0,0,1|1,0,1]=3 936 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cncs3 34a_100000059810_100015185245 [0,0,0,0,0,1|1,0,1]=3 937 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cocn3 270004a_100000059810_100000050382 [0,0,0,0,0,1|1,0,0]=2 938 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cscn3 2230a_100000059810_100000205941 [0,0,0,0,0,1|1,0,0]=2 939 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cscn3 269982a_100000059810_100000205941 [0,0,0,0,0,1|1,0,0]=2 940 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cscn3 270004a_100000059810_100000743575 [0,0,0,0,0,1|1,0,0]=2 941 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3cscn3 34a_100000059810_100000205941 [0,0,0,0,0,1|1,0,0]=2 942 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3csnn3 270004a_100000059810_100000738508 [0,0,0,0,0,1|2,0,0]=3 943 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncc[nH]3 2230a_100000059810_100016991755 [0,0,0,0,0,1|2,0,0]=3 944 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncc[nH]3 269982a_100000059810_100016991755 [0,0,0,0,0,1|2,0,0]=3 945 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncc[nH]3 34a_100000059810_100016991755 [0,0,0,0,0,1|2,0,0]=3 946 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncco3 2230a_100000059810_103436540062 [0,0,0,0,0,1|2,0,0]=3 947 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncco3 269982a_100000059810_103436540062 [0,0,0,0,0,1|2,0,0]=3 948 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncco3 270004a_100000059810_100000064290 [0,0,0,0,0,1|2,0,0]=3 949 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncco3 34a_100000059810_103436540062 [0,0,0,0,0,1|2,0,0]=3 950 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3nccs3 2230a_100000059810_100015184050 [0,0,0,0,0,1|2,0,0]=3 951 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3nccs3 269982a_100000059810_100015184050 [0,0,0,0,0,1|2,0,0]=3 952 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3nccs3 270004a_100000059810_100000750902 [0,0,0,0,0,1|2,0,0]=3 953 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3nccs3 34a_100000059810_100015184050 [0,0,0,0,0,1|2,0,0]=3 954 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncon3 269982a_100000059810_100000233494 [0,0,0,0,0,1|2,0,0]=3 955 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3ncon3 34a_100000059810_100000233494 [0,0,0,0,0,1|2,0,0]=3 956 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3nnn[nH]3 269982a_100000059810_100000765167 [0,0,0,0,0,1|2,0,1]=4 957 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cc3nnn[nH]3 34a_100000059810_100000765167 [0,0,0,0,0,1|2,0,1]=4 958 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cn3cncn3 2230a_100000059810_200020645497 [0,0,0,0,0,1|1,0,1]=3 959 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cn3cncn3 269982a_100000059810_200020645497 [0,0,0,0,0,1|1,0,1]=3 960 B19R3.2360 c1ccc2c(c1)CCCN(C2)Cn3cncn3 34a_100000059810_200020645497 [0,0,0,0,0,1|1,0,1]=3 961 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3c[nH]cn3 2230a_100000744108_100000707719 [0,0,0,0,0,1|1,0,0]=2 962 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3c[nH]cn3 269982a_100000744108_100000707719 [0,0,0,0,0,1|1,0,0]=2 963 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3c[nH]cn3 34a_100000744108_100000707719 [0,0,0,0,0,1|1,0,0]=2 964 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cc[nH]n3 270004a_100000744108_100000738523 [0,0,0,0,0,1|3,0,0]=4 965 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccoc3 270004a_100000744108_100011215517 [0,0,0,0,0,1|3,0,0]=4 966 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccon3 2230a_100000744108_100000234950 [0,0,0,0,0,1|3,0,0]=4 967 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccon3 269982a_100000744108_100000234950 [0,0,0,0,0,1|3,0,0]=4 968 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccon3 34a_100000744108_100000234950 [0,0,0,0,0,1|3,0,0]=4 969 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccsc3 2230a_100000744108_100011261437 [0,0,0,0,0,1|3,0,0]=4 970 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccsc3 269982a_100000744108_100011233845 [0,0,0,0,0,1|3,0,0]=4 971 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccsc3 270004a_100000744108_100000188534 [0,0,0,0,0,1|3,0,0]=4 972 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ccsc3 34a_100000744108_100011261437 [0,0,0,0,0,1|3,0,0]=4 973 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cn[nH]c3 270004a_100000744108_100016992096 [0,0,0,0,0,1|3,0,0]=4 974 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cnco3 270004a_100000744108_100000064291 [0,0,0,0,0,1|2,0,1]=4 975 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cncs3 2230a_100000744108_100015185245 [0,0,0,0,0,1|2,0,1]=4 976 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cncs3 269982a_100000744108_100015185245 [0,0,0,0,0,1|2,0,1]=4 977 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cncs3 270004a_100000744108_100000749870 [0,0,0,0,0,1|2,0,1]=4 978 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cncs3 34a_100000744108_100015185245 [0,0,0,0,0,1|2,0,1]=4 979 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cocn3 270004a_100000744108_100000050382 [0,0,0,0,0,1|2,0,0]=3 980 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cscn3 2230a_100000744108_100000205941 [0,0,0,0,0,1|2,0,0]=3 981 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cscn3 269982a_100000744108_100000205941 [0,0,0,0,0,1|2,0,0]=3 982 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cscn3 270004a_100000744108_100000743575 [0,0,0,0,0,1|2,0,0]=3 983 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3cscn3 34a_100000744108_100000205941 [0,0,0,0,0,1|2,0,0]=3 984 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3csnn3 270004a_100000744108_100000738508 [0,0,0,0,0,1|3,0,0]=4 985 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncc[nH]3 2230a_100000744108_100016991755 [0,0,0,0,0,1|3,0,0]=4 986 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncc[nH]3 269982a_100000744108_100016991755 [0,0,0,0,0,1|3,0,0]=4 987 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncc[nH]3 34a_100000744108_100016991755 [0,0,0,0,0,1|3,0,0]=4 988 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncco3 2230a_100000744108_103436540062 [0,0,0,0,0,1|3,0,0]=4 989 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncco3 269982a_100000744108_103436540062 [0,0,0,0,0,1|3,0,0]=4 990 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncco3 270004a_100000744108_100000064290 [0,0,0,0,0,1|3,0,0]=4 991 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncco3 34a_100000744108_103436540062 [0,0,0,0,0,1|3,0,0]=4 992 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3nccs3 2230a_100000744108_100015184050 [0,0,0,0,0,1|3,0,0]=4 993 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3nccs3 269982a_100000744108_100015184050 [0,0,0,0,0,1|3,0,0]=4 994 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3nccs3 270004a_100000744108_100000750902 [0,0,0,0,0,1|3,0,0]=4 995 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3nccs3 34a_100000744108_100015184050 [0,0,0,0,0,1|3,0,0]=4 996 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncon3 269982a_100000744108_100000233494 [0,0,0,0,0,1|3,0,0]=4 997 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cc3ncon3 34a_100000744108_100000233494 [0,0,0,0,0,1|3,0,0]=4 998 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cn3cncn3 2230a_100000744108_200020645497 [0,0,0,0,0,1|2,0,1]=4 999 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cn3cncn3 269982a_100000744108_200020645497 [0,0,0,0,0,1|2,0,1]=4 1000 B19R3.2360 c1ccc2c(c1)CN(CCO2)Cn3cncn3 34a_100000744108_200020645497 [0,0,0,0,0,1|2,0,1]=4 1001 B19R3.2360 c1coc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000186105 [0,0,0,0,0,1|2,0,0]=3 1002 B19R3.2360 c1coc(c1)CN2CCOc3ccccc3C2 270004a_100000744108_100000186105 [0,0,0,0,0,1|3,0,0]=4 1003 B19R3.2360 c1csc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000209959 [0,0,0,0,0,1|2,0,0]=3 1004 B19R3.2360 c1csc(c1)CN2CCOc3ccccc3C2 270004a_100000744108_100000209959 [0,0,0,0,0,1|3,0,0]=4 1005 B19R3.4444 c1cc2c(cn1)C(CCC2)NCc3cocn3 269862a_100015188801_100016991936 [0,0,0,0,0,1|3,0,0]=4 1006 B19R3.4444 c1cc2c(cn1)C(CCC2)NCc3cscn3 269862a_100015185402_100016991936 [0,0,0,0,0,1|3,0,0]=4 1007 B19R3.4444 c1cc2c(cn1)CCCC2NCc3c[nH]cn3 2230a_100020634316_100000707719 [0,0,0,0,0,1|2,0,0]=3 1008 B19R3.4444 c1cc2c(cn1)CCCC2NCc3cocn3 269862a_100015188801_100000087567 [0,0,0,0,0,1|3,0,0]=4 1009 B19R3.4444 c1cc2c(cn1)CCCC2NCc3cocn3 270004a_100020634316_100000050382 [0,0,0,0,0,1|3,0,0]=4 1010 B19R3.4444 c1cc2c(cn1)CCCC2NCc3cscn3 207a_100020634316_100000743575 [0,0,0,0,0,1|3,0,0]=4 1011 B19R3.4444 c1cc2c(cn1)CCCC2NCc3cscn3 2230a_100020634316_100000205941 [0,0,0,0,0,1|3,0,0]=4 1012 B19R3.4444 c1cc2c(cn1)CCCC2NCc3cscn3 269862a_100015185402_100000087567 [0,0,0,0,0,1|3,0,0]=4 1013 B19R3.4444 c1cc2c(cn1)CCCC2NCc3cscn3 270004a_100020634316_100000743575 [0,0,0,0,0,1|3,0,0]=4 1014 B19R3.4444 c1ccc2c(c1)CCCC2NCc3cc[nH]n3 269862a_100000739516_100000210882 [0,0,0,0,0,1|3,0,0]=4 1015 B19R3.4444 c1ccc2c(c1)CCCC2NCc3ccoc3 269862a_100015206860_100000210882 [0,0,0,0,0,1|3,0,0]=4 1016 B19R3.4444 c1ccc2c(c1)CCCC2NCc3ccon3 269862a_100000688301_100000210882 [0,0,0,0,0,1|3,0,0]=4 1017 B19R3.4444 c1ccc2c(c1)CCCC2NCc3ccsc3 269862a_100000186416_100000210882 [0,0,0,0,0,1|3,0,0]=4 1018 B19R3.4444 c1ccc2c(c1)CCCC2NCc3cnco3 269862a_100020634212_100000210882 [0,0,0,0,0,1|2,0,1]=4 1019 B19R3.4444 c1ccc2c(c1)CCCC2NCc3cncs3 269862a_100016987365_100000210882 [0,0,0,0,0,1|2,0,1]=4 1020 B19R3.4444 c1ccc2c(c1)CCCC2NCc3cocn3 269862a_100015188801_100000210882 [0,0,0,0,0,1|2,0,0]=3 1021 B19R3.4444 c1ccc2c(c1)CCCC2NCc3cscn3 269862a_100015185402_100000210882 [0,0,0,0,0,1|2,0,0]=3 1022 B19R3.4444 c1ccc2c(c1)CCCC2NCc3nccs3 269862a_100000740555_100000210882 [0,0,0,0,0,1|3,0,0]=4 1023 B19R3.4444 c1ccc2c(c1)CCCC2OCc3c[nH]cn3 34a_100000183665_100000707719 [0,0,0,0,0,1|1,0,0]=2 1024 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ccon3 34a_100000183665_100000234950 [0,0,0,0,0,1|3,0,0]=4 1025 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ccon3 7a_100000183665_100000234950 [0,0,0,0,0,1|3,0,0]=4 1026 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ccsc3 34a_100000183665_100011261437 [0,0,0,0,0,1|3,0,0]=4 1027 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ccsc3 7a_100000183665_100011261437 [0,0,0,0,0,1|3,0,0]=4 1028 B19R3.4444 c1ccc2c(c1)CCCC2OCc3cncs3 34a_100000183665_100015185245 [0,0,0,0,0,1|2,0,1]=4 1029 B19R3.4444 c1ccc2c(c1)CCCC2OCc3cncs3 7a_100000183665_100015185245 [0,0,0,0,0,1|2,0,1]=4 1030 B19R3.4444 c1ccc2c(c1)CCCC2OCc3cscn3 34a_100000183665_100000205941 [0,0,0,0,0,1|2,0,0]=3 1031 B19R3.4444 c1ccc2c(c1)CCCC2OCc3cscn3 7a_100000183665_100000205941 [0,0,0,0,0,1|2,0,0]=3 1032 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncc[nH]3 34a_100000183665_100016991755 [0,0,0,0,0,1|3,0,0]=4 1033 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncc[nH]3 7a_100000183665_100000753453 [0,0,0,0,0,1|3,0,0]=4 1034 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncco3 34a_100000183665_103436540062 [0,0,0,0,0,1|3,0,0]=4 1035 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncco3 7a_100000183665_103436540062 [0,0,0,0,0,1|3,0,0]=4 1036 B19R3.4444 c1ccc2c(c1)CCCC2OCc3nccs3 34a_100000183665_100015184050 [0,0,0,0,0,1|3,0,0]=4 1037 B19R3.4444 c1ccc2c(c1)CCCC2OCc3nccs3 7a_100000183665_100015184050 [0,0,0,0,0,1|3,0,0]=4 1038 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncon3 34a_100000183665_100000233494 [0,0,0,0,0,1|3,0,0]=4 1039 B19R3.4444 c1ccc2c(c1)CCCC2OCn3cncn3 34a_100000183665_200020645497 [0,0,0,0,0,1|2,0,1]=4 1040 B19R3.4444 c1ccc2c(c1)CCCC2OCn3cncn3 7a_100000183665_200020645497 [0,0,0,0,0,1|2,0,1]=4 1041 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3c[nH]cn3 34a_100020654734_100000707719 [0,0,0,0,0,1|1,0,0]=2 1042 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cc[nH]n3 207a_100020654734_100000738523 [0,0,0,0,0,1|3,0,0]=4 1043 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cc[nH]n3 270004a_100020654734_100000738523 [0,0,0,0,0,1|3,0,0]=4 1044 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ccoc3 207a_100020654734_100011215517 [0,0,0,0,0,1|3,0,0]=4 1045 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ccoc3 270004a_100020654734_100011215517 [0,0,0,0,0,1|3,0,0]=4 1046 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ccon3 34a_100020654734_100000234950 [0,0,0,0,0,1|3,0,0]=4 1047 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ccsc3 207a_100020654734_100000188534 [0,0,0,0,0,1|3,0,0]=4 1048 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ccsc3 270004a_100020654734_100000188534 [0,0,0,0,0,1|3,0,0]=4 1049 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ccsc3 34a_100020654734_100011261437 [0,0,0,0,0,1|3,0,0]=4 1050 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cn[nH]c3 207a_100020654734_100016992096 [0,0,0,0,0,1|3,0,0]=4 1051 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cn[nH]c3 270004a_100020654734_100016992096 [0,0,0,0,0,1|3,0,0]=4 1052 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cnc[nH]3 207a_100020654734_100000742939 [0,0,0,0,0,1|1,0,2]=4 1053 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cnco3 270004a_100020654734_100000064291 [0,0,0,0,0,1|2,0,1]=4 1054 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cncs3 207a_100020654734_100000749870 [0,0,0,0,0,1|2,0,1]=4 1055 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cncs3 270004a_100020654734_100000749870 [0,0,0,0,0,1|2,0,1]=4 1056 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cncs3 34a_100020654734_100015185245 [0,0,0,0,0,1|2,0,1]=4 1057 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cocn3 270004a_100020654734_100000050382 [0,0,0,0,0,1|2,0,0]=3 1058 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cscn3 207a_100020654734_100000743575 [0,0,0,0,0,1|2,0,0]=3 1059 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cscn3 270004a_100020654734_100000743575 [0,0,0,0,0,1|2,0,0]=3 1060 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3cscn3 34a_100020654734_100000205941 [0,0,0,0,0,1|2,0,0]=3 1061 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3csnn3 270004a_100020654734_100000738508 [0,0,0,0,0,1|3,0,0]=4 1062 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncc[nH]3 207a_100020654734_100000743867 [0,0,0,0,0,1|3,0,0]=4 1063 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncc[nH]3 34a_100020654734_100016991755 [0,0,0,0,0,1|3,0,0]=4 1064 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncco3 270004a_100020654734_100000064290 [0,0,0,0,0,1|3,0,0]=4 1065 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncco3 34a_100020654734_103436540062 [0,0,0,0,0,1|3,0,0]=4 1066 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3nccs3 207a_100020654734_100000750902 [0,0,0,0,0,1|3,0,0]=4 1067 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3nccs3 270004a_100020654734_100000750902 [0,0,0,0,0,1|3,0,0]=4 1068 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3nccs3 34a_100020654734_100015184050 [0,0,0,0,0,1|3,0,0]=4 1069 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncon3 34a_100020654734_100000233494 [0,0,0,0,0,1|3,0,0]=4 1070 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCn3cncn3 34a_100020654734_200020645497 [0,0,0,0,0,1|2,0,1]=4 1071 B19R3.4444 c1ccc2c(c1)COCC2NCc3cocn3 269862a_100015188801_100000117393 [0,0,0,0,0,1|3,0,0]=4 1072 B19R3.4444 c1ccc2c(c1)COCC2NCc3cscn3 269862a_100015185402_100000117393 [0,0,0,0,0,1|3,0,0]=4 1073 B19R3.4444 c1ccc2c(c1)COCC2OCc3c[nH]cn3 34a_100012179175_100000707719 [0,0,0,0,0,1|2,0,0]=3 1074 B19R3.4444 c1ccc2c(c1)COCC2OCc3cscn3 34a_100012179175_100000205941 [0,0,0,0,0,1|3,0,0]=4 1075 B19R3.4444 c1ccc2c(c1)OCCC2NCc3c[nH]cn3 2230a_100015190321_100000707719 [0,0,0,0,0,1|2,0,0]=3 1076 B19R3.4444 c1ccc2c(c1)OCCC2NCc3cocn3 270004a_100015190321_100000050382 [0,0,0,0,0,1|3,0,0]=4 1077 B19R3.4444 c1ccc2c(c1)OCCC2NCc3cscn3 207a_100015190321_100000743575 [0,0,0,0,0,1|3,0,0]=4 1078 B19R3.4444 c1ccc2c(c1)OCCC2NCc3cscn3 2230a_100015190321_100000205941 [0,0,0,0,0,1|3,0,0]=4 1079 B19R3.4444 c1ccc2c(c1)OCCC2NCc3cscn3 270004a_100015190321_100000743575 [0,0,0,0,0,1|3,0,0]=4 1080 B19R3.4444 c1ccc2c(c1)OCCC2OCc3cscn3 7a_100000708930_100000205941 [0,0,0,0,0,1|3,0,0]=4 1081 B19R3.4444 c1ccc2c(c1)SCCC2NCc3cocn3 269862a_100015188801_100000183853 [0,0,0,0,0,1|3,0,0]=4 1082 B19R3.4444 c1ccc2c(c1)SCCC2NCc3cscn3 269862a_100015185402_100000183853 [0,0,0,0,0,1|3,0,0]=4 1083 B19R3.4444 c1cnc2c(c1)C(CCC2)NCc3cocn3 269862a_100015188801_100000058033 [0,0,0,0,0,1|3,0,0]=4 1084 B19R3.4444 c1cnc2c(c1)C(CCC2)NCc3cscn3 269862a_100015185402_100000058033 [0,0,0,0,0,1|3,0,0]=4 1085 B19R3.4444 c1cnc2c(c1)CCCC2NCc3c[nH]cn3 2230a_100011259139_100000707719 [0,0,0,0,0,1|2,0,0]=3 1086 B19R3.4444 c1cnc2c(c1)CCCC2NCc3cocn3 269862a_100015188801_100000067617 [0,0,0,0,0,1|3,0,0]=4 1087 B19R3.4444 c1cnc2c(c1)CCCC2NCc3cocn3 270004a_100011259139_100000050382 [0,0,0,0,0,1|3,0,0]=4 1088 B19R3.4444 c1cnc2c(c1)CCCC2NCc3cscn3 207a_100011259139_100000743575 [0,0,0,0,0,1|3,0,0]=4 1089 B19R3.4444 c1cnc2c(c1)CCCC2NCc3cscn3 2230a_100011259139_100000205941 [0,0,0,0,0,1|3,0,0]=4 1090 B19R3.4444 c1cnc2c(c1)CCCC2NCc3cscn3 269862a_100015185402_100000067617 [0,0,0,0,0,1|3,0,0]=4 1091 B19R3.4444 c1cnc2c(c1)CCCC2NCc3cscn3 270004a_100011259139_100000743575 [0,0,0,0,0,1|3,0,0]=4 1092 B19R3.4444 c1cnc2c(c1)OCCC2NCc3c[nH]cn3 2230a_100009852857_100000707719 [0,0,0,0,0,1|3,0,0]=4 1093 B19R3.4444 c1coc(c1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000186105 [0,0,0,0,0,1|3,0,0]=4 1094 B19R3.4444 c1coc(c1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000186105 [0,0,0,0,0,1|3,0,0]=4 1095 B19R3.4444 c1csc(c1)CNC2CCCc3c2cccc3 269862a_100000211653_100000210882 [0,0,0,0,0,1|3,0,0]=4 1096 B19R3.4444 c1csc(c1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000209959 [0,0,0,0,0,1|3,0,0]=4 1097 B19R3.4444 c1csc(c1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000209959 [0,0,0,0,0,1|3,0,0]=4 1098 B16R2.685 CCN(Cc1c[nH]cn1)c2ccccc2 2230a_100000210013_100000707719 [1,0,1,0,0,0|0,0,0]=2 1099 B16R2.685 CCN(Cc1c[nH]cn1)c2ccccc2 269982a_100000210013_100000707719 [1,0,1,0,0,0|0,0,0]=2 1100 B16R2.685 CCN(Cc1c[nH]cn1)c2ccccc2 34a_100000210013_100000707719 [1,0,1,0,0,0|0,0,0]=2 1101 B16R2.685 CCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000210202 [1,0,1,0,0,0|2,0,0]=4 1102 B16R2.685 CCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000204670 [1,0,1,0,0,0|2,0,0]=4 1103 B16R2.685 CCN(Cc1ccco1)c2ccccc2 34a_100000230375_100000210202 [1,0,1,0,0,0|2,0,0]=4 1104 B16R2.685 CCN(Cc1ccon1)c2ccccc2 2230a_100000210013_100000234950 [1,0,1,0,0,0|2,0,0]=4 1105 B16R2.685 CCN(Cc1ccon1)c2ccccc2 269982a_100000210013_100000234950 [1,0,1,0,0,0|2,0,0]=4 1106 B16R2.685 CCN(Cc1ccon1)c2ccccc2 34a_100000210013_100000234950 [1,0,1,0,0,0|2,0,0]=4 1107 B16R2.685 CCN(Cc1ccsc1)c2ccccc2 2230a_100000210013_100011261437 [1,0,1,0,0,0|2,0,0]=4 1108 B16R2.685 CCN(Cc1ccsc1)c2ccccc2 269982a_100000210013_100011233845 [1,0,1,0,0,0|2,0,0]=4 1109 B16R2.685 CCN(Cc1ccsc1)c2ccccc2 34a_100000210013_100011261437 [1,0,1,0,0,0|2,0,0]=4 1110 B16R2.685 CCN(Cc1cncs1)c2ccccc2 2230a_100000210013_100015185245 [1,0,1,0,0,0|1,0,1]=4 1111 B16R2.685 CCN(Cc1cncs1)c2ccccc2 269982a_100000210013_100015185245 [1,0,1,0,0,0|1,0,1]=4 1112 B16R2.685 CCN(Cc1cncs1)c2ccccc2 34a_100000210013_100015185245 [1,0,1,0,0,0|1,0,1]=4 1113 B16R2.685 CCN(Cc1cscn1)c2ccccc2 2230a_100000210013_100000205941 [1,0,1,0,0,0|1,0,0]=3 1114 B16R2.685 CCN(Cc1cscn1)c2ccccc2 269982a_100000210013_100000205941 [1,0,1,0,0,0|1,0,0]=3 1115 B16R2.685 CCN(Cc1cscn1)c2ccccc2 34a_100000210013_100000205941 [1,0,1,0,0,0|1,0,0]=3 1116 B16R2.685 CCN(Cc1ncc[nH]1)c2ccccc2 2230a_100000210013_100016991755 [1,0,1,0,0,0|2,0,0]=4 1117 B16R2.685 CCN(Cc1ncc[nH]1)c2ccccc2 269982a_100000210013_100016991755 [1,0,1,0,0,0|2,0,0]=4 1118 B16R2.685 CCN(Cc1ncc[nH]1)c2ccccc2 34a_100000210013_100016991755 [1,0,1,0,0,0|2,0,0]=4 1119 B16R2.685 CCN(Cc1ncco1)c2ccccc2 2230a_100000210013_103436540062 [1,0,1,0,0,0|2,0,0]=4 1120 B16R2.685 CCN(Cc1ncco1)c2ccccc2 269982a_100000210013_103436540062 [1,0,1,0,0,0|2,0,0]=4 1121 B16R2.685 CCN(Cc1ncco1)c2ccccc2 34a_100000210013_103436540062 [1,0,1,0,0,0|2,0,0]=4 1122 B16R2.685 CCN(Cc1nccs1)c2ccccc2 2230a_100000210013_100015184050 [1,0,1,0,0,0|2,0,0]=4 1123 B16R2.685 CCN(Cc1nccs1)c2ccccc2 269982a_100000210013_100015184050 [1,0,1,0,0,0|2,0,0]=4 1124 B16R2.685 CCN(Cc1nccs1)c2ccccc2 34a_100000210013_100015184050 [1,0,1,0,0,0|2,0,0]=4 1125 B16R2.685 CCN(Cc1ncon1)c2ccccc2 269982a_100000210013_100000233494 [1,0,1,0,0,0|2,0,0]=4 1126 B16R2.685 CCN(Cc1ncon1)c2ccccc2 34a_100000210013_100000233494 [1,0,1,0,0,0|2,0,0]=4 1127 B16R2.685 CCN(Cn1cncn1)c2ccccc2 2230a_100000210013_200020645497 [1,0,1,0,0,0|1,0,1]=4 1128 B16R2.685 CCN(Cn1cncn1)c2ccccc2 269982a_100000210013_200020645497 [1,0,1,0,0,0|1,0,1]=4 1129 B16R2.685 CCN(Cn1cncn1)c2ccccc2 34a_100000210013_200020645497 [1,0,1,0,0,0|1,0,1]=4 1130 B16R2.1480 C#Cc1ccccc1NCc2c[nH]cn2 34a_100011470550_100000707719 [1,0,1,0,0,0|0,0,2]=4 1131 B16R2.1480 C=Cc1ccccc1NCc2c[nH]cn2 34a_100012022501_100000707719 [1,0,1,0,0,0|0,0,2]=4 1132 B16R2.1480 CCc1ccccc1NCc2c[nH]cn2 2230a_100000212081_100000707719 [1,0,1,0,0,0|0,0,0]=2 1133 B16R2.1480 CCc1ccccc1NCc2c[nH]cn2 34a_100000212081_100000707719 [1,0,1,0,0,0|0,0,0]=2 1134 B16R2.1480 CCc1ccccc1NCc2cc[nH]n2 207a_100000212081_100000738523 [1,0,1,0,0,0|2,0,0]=4 1135 B16R2.1480 CCc1ccccc1NCc2ccco2 207a_100000212081_100000186105 [1,0,1,0,0,0|2,0,0]=4 1136 B16R2.1480 CCc1ccccc1NCc2ccco2 270302a_100000212081_100000186105 [1,0,1,0,0,0|2,0,0]=4 1137 B16R2.1480 CCc1ccccc1NCc2cccs2 207a_100000212081_100000209959 [1,0,1,0,0,0|2,0,0]=4 1138 B16R2.1480 CCc1ccccc1NCc2cccs2 270302a_100000212081_100000209959 [1,0,1,0,0,0|2,0,0]=4 1139 B16R2.1480 CCc1ccccc1NCc2ccoc2 207a_100000212081_100011215517 [1,0,1,0,0,0|2,0,0]=4 1140 B16R2.1480 CCc1ccccc1NCc2ccon2 2230a_100000212081_100000234950 [1,0,1,0,0,0|2,0,0]=4 1141 B16R2.1480 CCc1ccccc1NCc2ccon2 34a_100000212081_100000234950 [1,0,1,0,0,0|2,0,0]=4 1142 B16R2.1480 CCc1ccccc1NCc2ccon2 7a_100000212081_100000234950 [1,0,1,0,0,0|2,0,0]=4 1143 B16R2.1480 CCc1ccccc1NCc2ccsc2 207a_100000212081_100000188534 [1,0,1,0,0,0|2,0,0]=4 1144 B16R2.1480 CCc1ccccc1NCc2ccsc2 2230a_100000212081_100011261437 [1,0,1,0,0,0|2,0,0]=4 1145 B16R2.1480 CCc1ccccc1NCc2ccsc2 270302a_100000212081_100000188534 [1,0,1,0,0,0|2,0,0]=4 1146 B16R2.1480 CCc1ccccc1NCc2ccsc2 34a_100000212081_100011261437 [1,0,1,0,0,0|2,0,0]=4 1147 B16R2.1480 CCc1ccccc1NCc2ccsc2 7a_100000212081_100011261437 [1,0,1,0,0,0|2,0,0]=4 1148 B16R2.1480 CCc1ccccc1NCc2cn[nH]c2 207a_100000212081_100016992096 [1,0,1,0,0,0|2,0,0]=4 1149 B16R2.1480 CCc1ccccc1NCc2cn[nH]c2 270302a_100000212081_100016992096 [1,0,1,0,0,0|2,0,0]=4 1150 B16R2.1480 CCc1ccccc1NCc2cnc[nH]2 207a_100000212081_100000742939 [1,0,1,0,0,0|0,0,2]=4 1151 B16R2.1480 CCc1ccccc1NCc2cncs2 207a_100000212081_100000749870 [1,0,1,0,0,0|1,0,1]=4 1152 B16R2.1480 CCc1ccccc1NCc2cncs2 2230a_100000212081_100015185245 [1,0,1,0,0,0|1,0,1]=4 1153 B16R2.1480 CCc1ccccc1NCc2cncs2 270302a_100000212081_100000749870 [1,0,1,0,0,0|1,0,1]=4 1154 B16R2.1480 CCc1ccccc1NCc2cncs2 34a_100000212081_100015185245 [1,0,1,0,0,0|1,0,1]=4 1155 B16R2.1480 CCc1ccccc1NCc2cncs2 7a_100000212081_100015185245 [1,0,1,0,0,0|1,0,1]=4 1156 B16R2.1480 CCc1ccccc1NCc2cscn2 207a_100000212081_100000743575 [1,0,1,0,0,0|1,0,0]=3 1157 B16R2.1480 CCc1ccccc1NCc2cscn2 2230a_100000212081_100000205941 [1,0,1,0,0,0|1,0,0]=3 1158 B16R2.1480 CCc1ccccc1NCc2cscn2 270302a_100000212081_100000743575 [1,0,1,0,0,0|1,0,0]=3 1159 B16R2.1480 CCc1ccccc1NCc2cscn2 34a_100000212081_100000205941 [1,0,1,0,0,0|1,0,0]=3 1160 B16R2.1480 CCc1ccccc1NCc2cscn2 7a_100000212081_100000205941 [1,0,1,0,0,0|1,0,0]=3 1161 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 207a_100000212081_100000743867 [1,0,1,0,0,0|2,0,0]=4 1162 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 2230a_100000212081_100016991755 [1,0,1,0,0,0|2,0,0]=4 1163 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 34a_100000212081_100016991755 [1,0,1,0,0,0|2,0,0]=4 1164 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 7a_100000212081_100000753453 [1,0,1,0,0,0|2,0,0]=4 1165 B16R2.1480 CCc1ccccc1NCc2ncco2 2230a_100000212081_103436540062 [1,0,1,0,0,0|2,0,0]=4 1166 B16R2.1480 CCc1ccccc1NCc2ncco2 34a_100000212081_103436540062 [1,0,1,0,0,0|2,0,0]=4 1167 B16R2.1480 CCc1ccccc1NCc2ncco2 7a_100000212081_103436540062 [1,0,1,0,0,0|2,0,0]=4 1168 B16R2.1480 CCc1ccccc1NCc2nccs2 207a_100000212081_100000750902 [1,0,1,0,0,0|2,0,0]=4 1169 B16R2.1480 CCc1ccccc1NCc2nccs2 2230a_100000212081_100015184050 [1,0,1,0,0,0|2,0,0]=4 1170 B16R2.1480 CCc1ccccc1NCc2nccs2 270302a_100000212081_100000750902 [1,0,1,0,0,0|2,0,0]=4 1171 B16R2.1480 CCc1ccccc1NCc2nccs2 34a_100000212081_100015184050 [1,0,1,0,0,0|2,0,0]=4 1172 B16R2.1480 CCc1ccccc1NCc2nccs2 7a_100000212081_100015184050 [1,0,1,0,0,0|2,0,0]=4 1173 B16R2.1480 CCc1ccccc1NCc2ncon2 34a_100000212081_100000233494 [1,0,1,0,0,0|2,0,0]=4 1174 B16R2.1480 CCc1ccccc1NCn2cncn2 2230a_100000212081_200020645497 [1,0,1,0,0,0|1,0,1]=4 1175 B16R2.1480 CCc1ccccc1NCn2cncn2 34a_100000212081_200020645497 [1,0,1,0,0,0|1,0,1]=4 1176 B16R2.1480 CCc1ccccc1NCn2cncn2 7a_100000212081_200020645497 [1,0,1,0,0,0|1,0,1]=4 1177 B16R2.1480 CCc1ccccc1OCc2c[nH]cn2 34a_100000210936_100000707719 [1,0,1,0,0,0|1,0,0]=3 1178 B16R2.1480 CCc1ccccc1OCc2cscn2 34a_100000210936_100000205941 [1,0,1,0,0,0|2,0,0]=4 1179 B16R2.1480 CCc1ccccc1OCc2cscn2 7a_100000210936_100000205941 [1,0,1,0,0,0|2,0,0]=4 1180 B16R2.1480 CCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100011215823 [1,0,1,0,0,0|1,0,0]=3 1181 B16R2.1480 CCc1ccccc1SCc2c[nH]cn2 62a_100011215823_100000707719 [1,0,1,0,0,0|1,0,0]=3 1182 B16R2.1480 CCc1ccccc1SCc2cscn2 62a_100000205941_100011215823 [1,0,1,0,0,0|2,0,0]=4 1183 B16R2.1480 CCc1ccccc1SCc2cscn2 62a_100011215823_100000205941 [1,0,1,0,0,0|2,0,0]=4 1184 B16R2.1480 CCc1ccncc1SCc2c[nH]cn2 62a_100000707719_100009819861 [1,0,1,0,0,0|2,0,0]=4 1185 B16R2.1480 CCc1ccncc1SCc2c[nH]cn2 62a_100009819861_100000707719 [1,0,1,0,0,0|2,0,0]=4 1186 B16R2.1480 CCc1cnccc1SCc2c[nH]cn2 62a_100000707719_100025704421 [1,0,1,0,0,0|2,0,0]=4 1187 B16R2.1480 CCc1cnccc1SCc2c[nH]cn2 62a_100025704421_100000707719 [1,0,1,0,0,0|2,0,0]=4 1188 B16R2.1480 CCc1cncnc1NCc2c[nH]cn2 27a_100000758547_200000100055 [1,0,1,0,0,0|2,0,0]=4 1189 B16R2.1480 CCc1ncccc1SCc2c[nH]cn2 62a_100000707719_100009877225 [1,0,1,0,0,0|2,0,0]=4 1190 B16R2.1480 CCc1ncccc1SCc2c[nH]cn2 62a_100009877225_100000707719 [1,0,1,0,0,0|2,0,0]=4 1191 B16R2.1480 CCc1nccnc1NCc2c[nH]cn2 27a_100000758547_100011995844 [1,0,1,0,0,0|2,0,0]=4 1192 B16R2.1480 CCc1ncncc1NCc2c[nH]cn2 27a_100000758547_100009816992 [1,0,1,0,0,0|2,0,0]=4 1193 B16R2.1480 CNc1ccccc1OCc2c[nH]cn2 34a_100000033821_100000707719 [1,0,1,0,0,0|2,0,0]=4 1194 B16R2.1480 CNc1ccccc1SCc2c[nH]cn2 62a_100000707719_100020606079 [1,0,1,0,0,0|2,0,0]=4 1195 B16R2.1480 CNc1ccccc1SCc2c[nH]cn2 62a_100020606079_100000707719 [1,0,1,0,0,0|2,0,0]=4 1196 B16R2.1480 COc1ccccc1NCc2c[nH]cn2 34a_100000210025_100000707719 [1,0,1,0,0,0|1,0,0]=3 1197 B16R2.1480 COc1ccccc1NCc2cscn2 207a_100000210025_100000743575 [1,0,1,0,0,0|2,0,0]=4 1198 B16R2.1480 COc1ccccc1NCc2cscn2 270302a_100000210025_100000743575 [1,0,1,0,0,0|2,0,0]=4 1199 B16R2.1480 COc1ccccc1NCc2cscn2 34a_100000210025_100000205941 [1,0,1,0,0,0|2,0,0]=4 1200 B16R2.1480 COc1ccccc1OCc2c[nH]cn2 34a_100000210385_100000707719 [1,0,1,0,0,0|2,0,0]=4 1201 B16R2.1480 COc1ccccc1SCc2c[nH]cn2 62a_100000210334_100000707719 [1,0,1,0,0,0|2,0,0]=4 1202 B16R2.1480 COc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000210334 [1,0,1,0,0,0|2,0,0]=4 1203 B16R2.1480 CSc1ccccc1NCc2c[nH]cn2 34a_100000211160_100000707719 [1,0,1,0,0,0|1,0,0]=3 1204 B16R2.1480 CSc1ccccc1NCc2cscn2 207a_100000211160_100000743575 [1,0,1,0,0,0|2,0,0]=4 1205 B16R2.1480 CSc1ccccc1NCc2cscn2 270302a_100000211160_100000743575 [1,0,1,0,0,0|2,0,0]=4 1206 B16R2.1480 CSc1ccccc1NCc2cscn2 34a_100000211160_100000205941 [1,0,1,0,0,0|2,0,0]=4 1207 B16R2.1480 CSc1ccccc1OCc2c[nH]cn2 34a_100011216402_100000707719 [1,0,1,0,0,0|2,0,0]=4 1208 B16R2.1480 CSc1ccccc1SCc2c[nH]cn2 62a_100000707719_100011217816 [1,0,1,0,0,0|2,0,0]=4 1209 B16R2.1480 CSc1ccccc1SCc2c[nH]cn2 62a_100011217816_100000707719 [1,0,1,0,0,0|2,0,0]=4 1210 B16R2.1480 N#Cc1ccccc1NCc2c[nH]cn2 34a_100000211148_100000707719 [1,0,1,0,0,0|1,0,1]=4 1211 B16R2.1480 NCc1ccccc1OCc2c[nH]cn2 34a_100000185550_100000707719 [1,0,1,0,0,0|2,0,0]=4 1212 B16R2.1480 NCc1ccccc1SCc2c[nH]cn2 62a_100000689332_100000707719 [1,0,1,0,0,0|2,0,0]=4 1213 B16R2.1480 NCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000689332 [1,0,1,0,0,0|2,0,0]=4 1214 B16R2.1480 OCc1ccccc1NCc2c[nH]cn2 34a_100000212039_100000707719 [1,0,1,0,0,0|1,0,0]=3 1215 B16R2.1480 OCc1ccccc1NCc2cscn2 207a_100000212039_100000743575 [1,0,1,0,0,0|2,0,0]=4 1216 B16R2.1480 OCc1ccccc1NCc2cscn2 270302a_100000212039_100000743575 [1,0,1,0,0,0|2,0,0]=4 1217 B16R2.1480 OCc1ccccc1NCc2cscn2 34a_100000212039_100000205941 [1,0,1,0,0,0|2,0,0]=4 1218 B16R2.1480 OCc1ccccc1OCc2c[nH]cn2 34a_100011216872_100000707719 [1,0,1,0,0,0|2,0,0]=4 1219 B16R2.1480 OCc1ccccc1SCc2c[nH]cn2 62a_100000187465_100000707719 [1,0,1,0,0,0|2,0,0]=4 1220 B16R2.1480 OCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000187465 [1,0,1,0,0,0|2,0,0]=4 1221 B16R2.1480 OCc1cnccc1NCc2c[nH]cn2 27a_100000758547_100000117392 [1,0,1,0,0,0|2,0,0]=4 1222 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2Br 2230a_100020606079_100000707719 [1,0,1,0,0,0|1,0,0]=3 1223 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2Br 269982a_100020606079_100000707719 [1,0,1,0,0,0|1,0,0]=3 1224 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2Br 34a_100020606079_100000707719 [1,0,1,0,0,0|1,0,0]=3 1225 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2Cl 2230a_100000219374_100000707719 [1,0,1,0,0,0|1,0,0]=3 1226 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2Cl 269982a_100000219374_100000707719 [1,0,1,0,0,0|1,0,0]=3 1227 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2Cl 34a_100000219374_100000707719 [1,0,1,0,0,0|1,0,0]=3 1228 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2F 2230a_100000220357_100000707719 [1,0,1,0,0,0|1,0,0]=3 1229 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2F 269982a_100000220357_100000707719 [1,0,1,0,0,0|1,0,0]=3 1230 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2F 34a_100000220357_100000707719 [1,0,1,0,0,0|1,0,0]=3 1231 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2F 38a_100000220357_100000707719 [1,0,1,0,0,0|1,0,0]=3 1232 B16R2.2965 CN(Cc1c[nH]cn1)c2ccccc2O 269982a_100000033821_100000707719 [1,0,1,0,0,0|1,0,0]=3 1233 B16R2.2965 CN(Cc1cscn1)c2ccccc2Br 2230a_100020606079_100000205941 [1,0,1,0,0,0|2,0,0]=4 1234 B16R2.2965 CN(Cc1cscn1)c2ccccc2Br 269982a_100020606079_100000205941 [1,0,1,0,0,0|2,0,0]=4 1235 B16R2.2965 CN(Cc1cscn1)c2ccccc2Br 34a_100020606079_100000205941 [1,0,1,0,0,0|2,0,0]=4 1236 B16R2.2965 CN(Cc1cscn1)c2ccccc2Cl 2230a_100000219374_100000205941 [1,0,1,0,0,0|2,0,0]=4 1237 B16R2.2965 CN(Cc1cscn1)c2ccccc2Cl 269982a_100000219374_100000205941 [1,0,1,0,0,0|2,0,0]=4 1238 B16R2.2965 CN(Cc1cscn1)c2ccccc2Cl 34a_100000219374_100000205941 [1,0,1,0,0,0|2,0,0]=4 1239 B16R2.2965 CN(Cc1cscn1)c2ccccc2F 2230a_100000220357_100000205941 [1,0,1,0,0,0|2,0,0]=4 1240 B16R2.2965 CN(Cc1cscn1)c2ccccc2F 269982a_100000220357_100000205941 [1,0,1,0,0,0|2,0,0]=4 1241 B16R2.2965 CN(Cc1cscn1)c2ccccc2F 34a_100000220357_100000205941 [1,0,1,0,0,0|2,0,0]=4 1242 B16R2.2965 CN(Cc1cscn1)c2ccccc2O 269982a_100000033821_100000205941 [1,0,1,0,0,0|2,0,0]=4 1243 B16R2.2965 Cc1ccccc1C(=O)Cc2c[nH]cn2 1458a_100000212026_100000707719 [1,0,1,0,0,0|2,0,0]=4 1244 B16R2.2965 Cc1ccccc1N(C)Cc2c[nH]cn2 2230a_100000219699_100000707719 [1,0,1,0,0,0|0,0,0]=2 1245 B16R2.2965 Cc1ccccc1N(C)Cc2c[nH]cn2 269982a_100000219699_100000707719 [1,0,1,0,0,0|0,0,0]=2 1246 B16R2.2965 Cc1ccccc1N(C)Cc2c[nH]cn2 34a_100000219699_100000707719 [1,0,1,0,0,0|0,0,0]=2 1247 B16R2.2965 Cc1ccccc1N(C)Cc2ccon2 2230a_100000219699_100000234950 [1,0,1,0,0,0|2,0,0]=4 1248 B16R2.2965 Cc1ccccc1N(C)Cc2ccon2 269982a_100000219699_100000234950 [1,0,1,0,0,0|2,0,0]=4 1249 B16R2.2965 Cc1ccccc1N(C)Cc2ccon2 34a_100000219699_100000234950 [1,0,1,0,0,0|2,0,0]=4 1250 B16R2.2965 Cc1ccccc1N(C)Cc2ccsc2 2230a_100000219699_100011261437 [1,0,1,0,0,0|2,0,0]=4 1251 B16R2.2965 Cc1ccccc1N(C)Cc2ccsc2 269982a_100000219699_100011233845 [1,0,1,0,0,0|2,0,0]=4 1252 B16R2.2965 Cc1ccccc1N(C)Cc2ccsc2 34a_100000219699_100011261437 [1,0,1,0,0,0|2,0,0]=4 1253 B16R2.2965 Cc1ccccc1N(C)Cc2cncs2 2230a_100000219699_100015185245 [1,0,1,0,0,0|1,0,1]=4 1254 B16R2.2965 Cc1ccccc1N(C)Cc2cncs2 269982a_100000219699_100015185245 [1,0,1,0,0,0|1,0,1]=4 1255 B16R2.2965 Cc1ccccc1N(C)Cc2cncs2 34a_100000219699_100015185245 [1,0,1,0,0,0|1,0,1]=4 1256 B16R2.2965 Cc1ccccc1N(C)Cc2cscn2 2230a_100000219699_100000205941 [1,0,1,0,0,0|1,0,0]=3 1257 B16R2.2965 Cc1ccccc1N(C)Cc2cscn2 269982a_100000219699_100000205941 [1,0,1,0,0,0|1,0,0]=3 1258 B16R2.2965 Cc1ccccc1N(C)Cc2cscn2 34a_100000219699_100000205941 [1,0,1,0,0,0|1,0,0]=3 1259 B16R2.2965 Cc1ccccc1N(C)Cc2ncc[nH]2 2230a_100000219699_100016991755 [1,0,1,0,0,0|2,0,0]=4 1260 B16R2.2965 Cc1ccccc1N(C)Cc2ncc[nH]2 269982a_100000219699_100016991755 [1,0,1,0,0,0|2,0,0]=4 1261 B16R2.2965 Cc1ccccc1N(C)Cc2ncc[nH]2 34a_100000219699_100016991755 [1,0,1,0,0,0|2,0,0]=4 1262 B16R2.2965 Cc1ccccc1N(C)Cc2ncco2 2230a_100000219699_103436540062 [1,0,1,0,0,0|2,0,0]=4 1263 B16R2.2965 Cc1ccccc1N(C)Cc2ncco2 269982a_100000219699_103436540062 [1,0,1,0,0,0|2,0,0]=4 1264 B16R2.2965 Cc1ccccc1N(C)Cc2ncco2 34a_100000219699_103436540062 [1,0,1,0,0,0|2,0,0]=4 1265 B16R2.2965 Cc1ccccc1N(C)Cc2nccs2 2230a_100000219699_100015184050 [1,0,1,0,0,0|2,0,0]=4 1266 B16R2.2965 Cc1ccccc1N(C)Cc2nccs2 269982a_100000219699_100015184050 [1,0,1,0,0,0|2,0,0]=4 1267 B16R2.2965 Cc1ccccc1N(C)Cc2nccs2 34a_100000219699_100015184050 [1,0,1,0,0,0|2,0,0]=4 1268 B16R2.2965 Cc1ccccc1N(C)Cc2ncon2 269982a_100000219699_100000233494 [1,0,1,0,0,0|2,0,0]=4 1269 B16R2.2965 Cc1ccccc1N(C)Cc2ncon2 34a_100000219699_100000233494 [1,0,1,0,0,0|2,0,0]=4 1270 B16R2.2965 Cc1ccccc1N(C)Cn2cncn2 2230a_100000219699_200020645497 [1,0,1,0,0,0|1,0,1]=4 1271 B16R2.2965 Cc1ccccc1N(C)Cn2cncn2 269982a_100000219699_200020645497 [1,0,1,0,0,0|1,0,1]=4 1272 B16R2.2965 Cc1ccccc1N(C)Cn2cncn2 34a_100000219699_200020645497 [1,0,1,0,0,0|1,0,1]=4 1273 B16R2.2965 Cc1cnccc1N(C)Cc2cscn2 27a_100000225794_100000765111 [1,0,1,0,0,0|2,0,0]=4 1274 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)C 2230a_100000198071_100000210303 [0,1,1,0,0,0|2,0,0]=4 1275 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)C 269982a_100000198071_100000210303 [0,1,1,0,0,0|2,0,0]=4 1276 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)C 34a_100000198071_100000210303 [0,1,1,0,0,0|2,0,0]=4 1277 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)Cl 2230a_100000189056_100000210303 [0,1,1,0,0,0|2,0,0]=4 1278 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)Cl 269982a_100000189056_100000210303 [0,1,1,0,0,0|2,0,0]=4 1279 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)Cl 34a_100000189056_100000210303 [0,1,1,0,0,0|2,0,0]=4 1280 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)F 2230a_100000739240_100000210303 [0,1,1,0,0,0|2,0,0]=4 1281 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)F 269982a_100000739240_100000210303 [0,1,1,0,0,0|2,0,0]=4 1282 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)F 34a_100000739240_100000210303 [0,1,1,0,0,0|2,0,0]=4 1283 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)Br 2230a_100000188760_100000210303 [0,1,1,0,0,0|2,0,0]=4 1284 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)Br 269982a_100000188760_100000210303 [0,1,1,0,0,0|2,0,0]=4 1285 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)Br 34a_100000188760_100000210303 [0,1,1,0,0,0|2,0,0]=4 1286 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)C 2230a_100000187402_100000210303 [0,1,1,0,0,0|2,0,0]=4 1287 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)C 269982a_100000187402_100000210303 [0,1,1,0,0,0|2,0,0]=4 1288 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)C 34a_100000187402_100000210303 [0,1,1,0,0,0|2,0,0]=4 1289 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)F 2230a_100000742479_100000210303 [0,1,1,0,0,0|2,0,0]=4 1290 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)F 269982a_100000742479_100000210303 [0,1,1,0,0,0|2,0,0]=4 1291 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)F 34a_100000742479_100000210303 [0,1,1,0,0,0|2,0,0]=4 1292 B18R2.360 CCCN(Cc1ncc[nH]1)c2ccc(cc2)Cl 269982a_100102558475_100000210303 [0,1,1,0,0,0|2,0,0]=4 1293 B18R2.360 CCCN(Cc1ncc[nH]1)c2ccc(cc2)Cl 34a_100102558475_100000210303 [0,1,1,0,0,0|2,0,0]=4 1294 B18R2.360 N#CCN(Cc1c[nH]cn1)c2ccc(cc2)F 2230a_100011199736_100000707719 [0,1,1,0,0,0|1,0,1]=4 1295 B18R2.360 N#CCN(Cc1c[nH]cn1)c2ccc(cc2)F 34a_100011199736_100000707719 [0,1,1,0,0,0|1,0,1]=4 1296 B18R2.2097 C=CCN(Cc1cn(cn1)C)c2ccccc2 2230a_100000211662_100000717665 [0,1,1,0,0,0|0,0,2]=4 1297 B18R2.2097 C=CCN(Cc1cn(cn1)C)c2ccccc2 269982a_100000211662_100000717665 [0,1,1,0,0,0|0,0,2]=4 1298 B18R2.2097 C=CCN(Cc1cn(cn1)C)c2ccccc2 34a_100000211662_100000717665 [0,1,1,0,0,0|0,0,2]=4 1299 B18R2.2097 CCCN(Cc1cc(cs1)Br)c2ccccc2 2230a_200011218496_100000746031 [0,1,1,0,0,0|2,0,0]=4 1300 B18R2.2097 CCCN(Cc1cc(cs1)Br)c2ccccc2 269982a_200011218496_100000746031 [0,1,1,0,0,0|2,0,0]=4 1301 B18R2.2097 CCCN(Cc1cc(cs1)Br)c2ccccc2 34a_200011218496_100000746031 [0,1,1,0,0,0|2,0,0]=4 1302 B18R2.2097 CCCN(Cc1cc(on1)C)c2ccccc2 2230a_200011218496_100000199038 [0,1,1,0,0,0|2,0,0]=4 1303 B18R2.2097 CCCN(Cc1cc(on1)C)c2ccccc2 269982a_200011218496_100000199038 [0,1,1,0,0,0|2,0,0]=4 1304 B18R2.2097 CCCN(Cc1cc(on1)C)c2ccccc2 34a_200011218496_100000199038 [0,1,1,0,0,0|2,0,0]=4 1305 B18R2.2097 CCCN(Cc1ccc(s1)Br)c2ccccc2 2230a_200011218496_100000708592 [0,1,1,0,0,0|2,0,0]=4 1306 B18R2.2097 CCCN(Cc1ccc(s1)Br)c2ccccc2 269982a_200011218496_100000708592 [0,1,1,0,0,0|2,0,0]=4 1307 B18R2.2097 CCCN(Cc1ccc(s1)Br)c2ccccc2 34a_200011218496_100000708592 [0,1,1,0,0,0|2,0,0]=4 1308 B18R2.2097 CCCN(Cc1ccc(s1)Cl)c2ccccc2 2230a_200011218496_100000185097 [0,1,1,0,0,0|2,0,0]=4 1309 B18R2.2097 CCCN(Cc1ccc(s1)Cl)c2ccccc2 269982a_200011218496_100000185097 [0,1,1,0,0,0|2,0,0]=4 1310 B18R2.2097 CCCN(Cc1ccc(s1)Cl)c2ccccc2 34a_200011218496_100000185097 [0,1,1,0,0,0|2,0,0]=4 1311 B18R2.2097 CCCN(Cc1ccn(n1)C)c2ccccc2 2230a_200011218496_100000726502 [0,1,1,0,0,0|2,0,0]=4 1312 B18R2.2097 CCCN(Cc1ccn(n1)C)c2ccccc2 269982a_200011218496_100000726502 [0,1,1,0,0,0|2,0,0]=4 1313 B18R2.2097 CCCN(Cc1ccn(n1)C)c2ccccc2 34a_200011218496_100000726502 [0,1,1,0,0,0|2,0,0]=4 1314 B18R2.2097 CCCN(Cc1cn(cn1)C)c2ccccc2 2230a_200011218496_100000717665 [0,1,1,0,0,0|0,0,0]=2 1315 B18R2.2097 CCCN(Cc1cn(cn1)C)c2ccccc2 269982a_200011218496_100000717665 [0,1,1,0,0,0|0,0,0]=2 1316 B18R2.2097 CCCN(Cc1cn(cn1)C)c2ccccc2 34a_200011218496_100000717665 [0,1,1,0,0,0|0,0,0]=2 1317 B18R2.2097 CCCN(Cc1cnc(s1)Br)c2ccccc2 2230a_200011218496_100000717027 [0,1,1,0,0,0|1,0,1]=4 1318 B18R2.2097 CCCN(Cc1cnc(s1)Br)c2ccccc2 269982a_200011218496_100000717027 [0,1,1,0,0,0|1,0,1]=4 1319 B18R2.2097 CCCN(Cc1cnc(s1)Br)c2ccccc2 34a_200011218496_100000717027 [0,1,1,0,0,0|1,0,1]=4 1320 B18R2.2097 CCCN(Cc1cnc(s1)C)c2ccccc2 2230a_200011218496_100020635045 [0,1,1,0,0,0|1,0,1]=4 1321 B18R2.2097 CCCN(Cc1cnc(s1)C)c2ccccc2 269982a_200011218496_100020635045 [0,1,1,0,0,0|1,0,1]=4 1322 B18R2.2097 CCCN(Cc1cnc(s1)C)c2ccccc2 34a_200011218496_100020635045 [0,1,1,0,0,0|1,0,1]=4 1323 B18R2.2097 CCCN(Cc1cnc(s1)Cl)c2ccccc2 2230a_200011218496_100000058068 [0,1,1,0,0,0|1,0,1]=4 1324 B18R2.2097 CCCN(Cc1cnc(s1)Cl)c2ccccc2 269982a_200011218496_100000058068 [0,1,1,0,0,0|1,0,1]=4 1325 B18R2.2097 CCCN(Cc1cnc(s1)Cl)c2ccccc2 34a_200011218496_100000058068 [0,1,1,0,0,0|1,0,1]=4 1326 B18R2.2097 CCCN(Cc1cnn(c1)C)c2ccccc2 2230a_200011218496_100000744441 [0,1,1,0,0,0|2,0,0]=4 1327 B18R2.2097 CCCN(Cc1cnn(c1)C)c2ccccc2 269982a_200011218496_100000744441 [0,1,1,0,0,0|2,0,0]=4 1328 B18R2.2097 CCCN(Cc1cnn(c1)C)c2ccccc2 34a_200011218496_100000744441 [0,1,1,0,0,0|2,0,0]=4 1329 B18R2.2097 CCCN(Cc1csc(n1)C)c2ccccc2 2230a_200011218496_100015186478 [0,1,1,0,0,0|1,0,0]=3 1330 B18R2.2097 CCCN(Cc1csc(n1)C)c2ccccc2 269982a_200011218496_100015186478 [0,1,1,0,0,0|1,0,0]=3 1331 B18R2.2097 CCCN(Cc1csc(n1)C)c2ccccc2 34a_200011218496_100015186478 [0,1,1,0,0,0|1,0,0]=3 1332 B18R2.2097 CCCN(Cc1csc(n1)Cl)c2ccccc2 2230a_200011218496_100000024076 [0,1,1,0,0,0|1,0,0]=3 1333 B18R2.2097 CCCN(Cc1csc(n1)Cl)c2ccccc2 269982a_200011218496_100000024076 [0,1,1,0,0,0|1,0,0]=3 1334 B18R2.2097 CCCN(Cc1csc(n1)Cl)c2ccccc2 34a_200011218496_100000024076 [0,1,1,0,0,0|1,0,0]=3 1335 B18R2.2097 CCCN(Cc1n[nH]c(=O)[nH]1)c2ccccc2 2230a_200011218496_100000754189 [0,1,1,0,0,0|1,0,1]=4 1336 B18R2.2097 CCCN(Cc1n[nH]c(=O)[nH]1)c2ccccc2 269982a_200011218496_100000754189 [0,1,1,0,0,0|1,0,1]=4 1337 B18R2.2097 CCCN(Cc1nc(no1)C)c2ccccc2 2230a_200011218496_100000735555 [0,1,1,0,0,0|1,0,1]=4 1338 B18R2.2097 CCCN(Cc1nc(no1)C)c2ccccc2 269982a_200011218496_100000735555 [0,1,1,0,0,0|1,0,1]=4 1339 B18R2.2097 CCCN(Cc1nc(no1)C)c2ccccc2 34a_200011218496_100000735555 [0,1,1,0,0,0|1,0,1]=4 1340 B18R2.2097 CCCN(Cc1ncn(n1)C)c2ccccc2 2230a_200011218496_100016995526 [0,1,1,0,0,0|1,0,0]=3 1341 B18R2.2097 CCCN(Cc1ncn(n1)C)c2ccccc2 269982a_200011218496_100016995526 [0,1,1,0,0,0|1,0,0]=3 1342 B18R2.2097 CCCN(Cc1ncn(n1)C)c2ccccc2 34a_200011218496_100016995526 [0,1,1,0,0,0|1,0,0]=3 1343 B18R2.2097 CCCN(Cc1noc(n1)C)c2ccccc2 2230a_200011218496_100000231061 [0,1,1,0,0,0|2,0,0]=4 1344 B18R2.2097 CCCN(Cc1noc(n1)C)c2ccccc2 269982a_200011218496_100000231061 [0,1,1,0,0,0|2,0,0]=4 1345 B18R2.2097 CCCN(Cc1noc(n1)C)c2ccccc2 34a_200011218496_100000231061 [0,1,1,0,0,0|2,0,0]=4 1346 B18R2.2097 CCCN(Cc1nsc(n1)Cl)c2ccccc2 2230a_200011218496_100000043760 [0,1,1,0,0,0|2,0,0]=4 1347 B18R2.2097 CCCN(Cc1nsc(n1)Cl)c2ccccc2 269982a_200011218496_100000043760 [0,1,1,0,0,0|2,0,0]=4 1348 B18R2.2097 CCCN(Cc1nsc(n1)Cl)c2ccccc2 34a_200011218496_100000043760 [0,1,1,0,0,0|2,0,0]=4 1349 B18R2.2097 Cc1nc(cs1)CN(CCO)c2ccccc2 2230a_100000211345_100015186478 [0,1,1,0,0,0|2,0,0]=4 1350 B18R2.2097 Cc1nc(cs1)CN(CCO)c2ccccc2 269982a_100000211345_100015186478 [0,1,1,0,0,0|2,0,0]=4 1351 B18R2.2097 Cc1nc(cs1)CN(CCO)c2ccccc2 34a_100000211345_100015186478 [0,1,1,0,0,0|2,0,0]=4 1352 B18R2.2097 Cn1cnc(c1)CN(CCO)c2ccccc2 2230a_100000211345_100000717665 [0,1,1,0,0,0|1,0,0]=3 1353 B18R2.2097 Cn1cnc(c1)CN(CCO)c2ccccc2 269982a_100000211345_100000717665 [0,1,1,0,0,0|1,0,0]=3 1354 B18R2.2097 Cn1cnc(c1)CN(CCO)c2ccccc2 34a_100000211345_100000717665 [0,1,1,0,0,0|1,0,0]=3 1355 B18R2.2097 Cn1cnc(n1)CN(CCO)c2ccccc2 2230a_100000211345_100016995526 [0,1,1,0,0,0|2,0,0]=4 1356 B18R2.2097 Cn1cnc(n1)CN(CCO)c2ccccc2 269982a_100000211345_100016995526 [0,1,1,0,0,0|2,0,0]=4 1357 B18R2.2097 Cn1cnc(n1)CN(CCO)c2ccccc2 34a_100000211345_100016995526 [0,1,1,0,0,0|2,0,0]=4 1358 B18R2.2097 OCCN(Cc1csc(n1)Cl)c2ccccc2 2230a_100000211345_100000024076 [0,1,1,0,0,0|2,0,0]=4 1359 B18R2.2097 OCCN(Cc1csc(n1)Cl)c2ccccc2 269982a_100000211345_100000024076 [0,1,1,0,0,0|2,0,0]=4 1360 B18R2.2097 OCCN(Cc1csc(n1)Cl)c2ccccc2 34a_100000211345_100000024076 [0,1,1,0,0,0|2,0,0]=4 1361 B18R2.2106 CCCN(Cc1ccco1)c2cccc(c2)Cl 2230a_100011231625_100000210303 [0,1,1,0,0,0|2,0,0]=4 1362 B18R2.2106 CCCN(Cc1ccco1)c2cccc(c2)Cl 269982a_100011231625_100000210303 [0,1,1,0,0,0|2,0,0]=4 1363 B18R2.2106 CCCN(Cc1ccco1)c2cccc(c2)Cl 34a_100011231625_100000210303 [0,1,1,0,0,0|2,0,0]=4 1364 B18R2.2106 CCCN(Cc1ccco1)c2cccc(c2)F 2230a_100011231644_100000210303 [0,1,1,0,0,0|2,0,0]=4 1365 B18R2.2106 CCCN(Cc1ccco1)c2cccc(c2)F 269982a_100011231644_100000210303 [0,1,1,0,0,0|2,0,0]=4 1366 B18R2.2106 CCCN(Cc1ccco1)c2cccc(c2)F 34a_100011231644_100000210303 [0,1,1,0,0,0|2,0,0]=4 1367 B18R2.2120 C=CCN(Cc1nc[nH]c1C)c2ccccc2 2230a_100000211662_100000751220 [0,1,1,0,0,0|0,0,2]=4 1368 B18R2.2120 C=CCN(Cc1nc[nH]c1C)c2ccccc2 269982a_100000211662_100000751220 [0,1,1,0,0,0|0,0,2]=4 1369 B18R2.2120 CCCN(Cc1ccsc1Br)c2ccccc2 2230a_200011218496_100009814289 [0,1,1,0,0,0|2,0,0]=4 1370 B18R2.2120 CCCN(Cc1ccsc1Br)c2ccccc2 269982a_200011218496_100009814289 [0,1,1,0,0,0|2,0,0]=4 1371 B18R2.2120 CCCN(Cc1ccsc1Br)c2ccccc2 34a_200011218496_100009814289 [0,1,1,0,0,0|2,0,0]=4 1372 B18R2.2120 CCCN(Cc1ccsc1Cl)c2ccccc2 2230a_200011218496_100010167017 [0,1,1,0,0,0|2,0,0]=4 1373 B18R2.2120 CCCN(Cc1ccsc1Cl)c2ccccc2 269982a_200011218496_100010167017 [0,1,1,0,0,0|2,0,0]=4 1374 B18R2.2120 CCCN(Cc1ccsc1Cl)c2ccccc2 34a_200011218496_100010167017 [0,1,1,0,0,0|2,0,0]=4 1375 B18R2.2120 CCCN(Cc1nc[nH]c1C)c2ccccc2 2230a_200011218496_100000751220 [0,1,1,0,0,0|0,0,0]=2 1376 B18R2.2120 CCCN(Cc1nc[nH]c1C)c2ccccc2 269982a_200011218496_100000751220 [0,1,1,0,0,0|0,0,0]=2 1377 B18R2.2120 CCCN(Cc1nccn1C)c2ccccc2 2230a_200011218496_100000700302 [0,1,1,0,0,0|2,0,0]=4 1378 B18R2.2120 CCCN(Cc1nccn1C)c2ccccc2 269982a_200011218496_100000700302 [0,1,1,0,0,0|2,0,0]=4 1379 B18R2.2120 CCCN(Cc1nccn1C)c2ccccc2 34a_200011218496_100000700302 [0,1,1,0,0,0|2,0,0]=4 1380 B18R2.2120 CCCN(Cc1ncoc1C)c2ccccc2 2230a_200011218496_200000693990 [0,1,1,0,0,0|1,0,0]=3 1381 B18R2.2120 CCCN(Cc1ncoc1C)c2ccccc2 34a_200011218496_200000693990 [0,1,1,0,0,0|1,0,0]=3 1382 B18R2.2120 CCCN(Cc1nnsc1Cl)c2ccccc2 2230a_200011218496_100000018852 [0,1,1,0,0,0|2,0,0]=4 1383 B18R2.2120 CCCN(Cc1nnsc1Cl)c2ccccc2 269982a_200011218496_100000018852 [0,1,1,0,0,0|2,0,0]=4 1384 B18R2.2120 CCCN(Cc1nonc1C)c2ccccc2 2230a_200011218496_200000044682 [0,1,1,0,0,0|1,0,1]=4 1385 B18R2.2120 CCCN(Cc1nonc1C)c2ccccc2 269982a_200011218496_200000044682 [0,1,1,0,0,0|1,0,1]=4 1386 B18R2.2120 CCCN(Cc1nonc1C)c2ccccc2 34a_200011218496_200000044682 [0,1,1,0,0,0|1,0,1]=4 1387 B18R2.2120 Cc1[nH]cnc1CN(CCO)c2ccccc2 2230a_100000211345_100000751220 [0,1,1,0,0,0|1,0,0]=3 1388 B18R2.2120 Cc1[nH]cnc1CN(CCO)c2ccccc2 269982a_100000211345_100000751220 [0,1,1,0,0,0|1,0,0]=3 1389 B18R2.2120 Cc1ocnc1CN(CCO)c2ccccc2 2230a_100000211345_200000693990 [0,1,1,0,0,0|2,0,0]=4 1390 B18R2.2120 Cc1ocnc1CN(CCO)c2ccccc2 34a_100000211345_200000693990 [0,1,1,0,0,0|2,0,0]=4 1391 B18R2.12686 CC(C)CN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000210760 [0,1,1,0,0,0|2,0,0]=4 1392 B18R2.12686 CC(C)CN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000210624 [0,1,1,0,0,0|2,0,0]=4 1393 B18R2.12686 CC(C)CN(Cc1ccco1)c2ccccc2 34a_100000230375_100000210624 [0,1,1,0,0,0|2,0,0]=4 1394 B18R2.12686 CC(O)CN(Cc1ccco1)c2ccccc2 2230a_100000230375_100011218427 [0,1,1,0,0,0|2,0,0]=4 1395 B18R2.12686 CC(O)CN(Cc1ccco1)c2ccccc2 269982a_100000230375_100011218427 [0,1,1,0,0,0|2,0,0]=4 1396 B18R2.12686 CC(O)CN(Cc1ccco1)c2ccccc2 34a_100000230375_100011218427 [0,1,1,0,0,0|2,0,0]=4 1397 B18R2.12686 C[C@@H](O)CN(Cc1ccco1)c2ccccc2 2230a_100000230375_100009817552 [0,1,1,0,0,0|2,0,0]=4 1398 B18R2.12686 C[C@@H](O)CN(Cc1ccco1)c2ccccc2 269982a_100000230375_100009817552 [0,1,1,0,0,0|2,0,0]=4 1399 B18R2.12686 C[C@@H](O)CN(Cc1ccco1)c2ccccc2 34a_100000230375_100009817552 [0,1,1,0,0,0|2,0,0]=4 1400 B18R2.12686 NC(=O)CN(Cc1c[nH]cn1)c2ccccc2 2230a_100000212578_100000707719 [0,1,1,0,0,0|1,0,1]=4 1401 B18R2.12686 NC(=O)CN(Cc1c[nH]cn1)c2ccccc2 269982a_100000212578_100000707719 [0,1,1,0,0,0|1,0,1]=4 1402 B18R2.12686 O=C(O)CN(Cc1c[nH]cn1)c2ccccc2 269956a_100000212060_100000707719 [0,1,1,0,0,0|1,0,1]=4 1403 B18R2.14623 CCCCN(Cc1c[nH]cn1)c2ccccc2 2230a_100000211623_100000707719 [0,1,1,0,0,0|0,0,0]=2 1404 B18R2.14623 CCCCN(Cc1c[nH]cn1)c2ccccc2 269982a_100000211623_100000707719 [0,1,1,0,0,0|0,0,0]=2 1405 B18R2.14623 CCCCN(Cc1c[nH]cn1)c2ccccc2 34a_100000211623_100000707719 [0,1,1,0,0,0|0,0,0]=2 1406 B18R2.14623 CCCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000210211 [0,1,1,0,0,0|2,0,0]=4 1407 B18R2.14623 CCCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000210211 [0,1,1,0,0,0|2,0,0]=4 1408 B18R2.14623 CCCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100000210210 [0,1,1,0,0,0|2,0,0]=4 1409 B18R2.14623 CCCCN(Cc1ccon1)c2ccccc2 2230a_100000211623_100000234950 [0,1,1,0,0,0|2,0,0]=4 1410 B18R2.14623 CCCCN(Cc1ccon1)c2ccccc2 269982a_100000211623_100000234950 [0,1,1,0,0,0|2,0,0]=4 1411 B18R2.14623 CCCCN(Cc1ccon1)c2ccccc2 34a_100000211623_100000234950 [0,1,1,0,0,0|2,0,0]=4 1412 B18R2.14623 CCCCN(Cc1ccsc1)c2ccccc2 2230a_100000211623_100011261437 [0,1,1,0,0,0|2,0,0]=4 1413 B18R2.14623 CCCCN(Cc1ccsc1)c2ccccc2 269982a_100000211623_100011233845 [0,1,1,0,0,0|2,0,0]=4 1414 B18R2.14623 CCCCN(Cc1ccsc1)c2ccccc2 34a_100000211623_100011261437 [0,1,1,0,0,0|2,0,0]=4 1415 B18R2.14623 CCCCN(Cc1cncs1)c2ccccc2 2230a_100000211623_100015185245 [0,1,1,0,0,0|1,0,1]=4 1416 B18R2.14623 CCCCN(Cc1cncs1)c2ccccc2 269982a_100000211623_100015185245 [0,1,1,0,0,0|1,0,1]=4 1417 B18R2.14623 CCCCN(Cc1cncs1)c2ccccc2 34a_100000211623_100015185245 [0,1,1,0,0,0|1,0,1]=4 1418 B18R2.14623 CCCCN(Cc1cscn1)c2ccccc2 2230a_100000211623_100000205941 [0,1,1,0,0,0|1,0,0]=3 1419 B18R2.14623 CCCCN(Cc1cscn1)c2ccccc2 269982a_100000211623_100000205941 [0,1,1,0,0,0|1,0,0]=3 1420 B18R2.14623 CCCCN(Cc1cscn1)c2ccccc2 34a_100000211623_100000205941 [0,1,1,0,0,0|1,0,0]=3 1421 B18R2.14623 CCCCN(Cc1ncc[nH]1)c2ccccc2 2230a_100000211623_100016991755 [0,1,1,0,0,0|2,0,0]=4 1422 B18R2.14623 CCCCN(Cc1ncc[nH]1)c2ccccc2 269982a_100000211623_100016991755 [0,1,1,0,0,0|2,0,0]=4 1423 B18R2.14623 CCCCN(Cc1ncc[nH]1)c2ccccc2 34a_100000211623_100016991755 [0,1,1,0,0,0|2,0,0]=4 1424 B18R2.14623 CCCCN(Cc1ncco1)c2ccccc2 2230a_100000211623_103436540062 [0,1,1,0,0,0|2,0,0]=4 1425 B18R2.14623 CCCCN(Cc1ncco1)c2ccccc2 269982a_100000211623_103436540062 [0,1,1,0,0,0|2,0,0]=4 1426 B18R2.14623 CCCCN(Cc1ncco1)c2ccccc2 34a_100000211623_103436540062 [0,1,1,0,0,0|2,0,0]=4 1427 B18R2.14623 CCCCN(Cc1nccs1)c2ccccc2 2230a_100000211623_100015184050 [0,1,1,0,0,0|2,0,0]=4 1428 B18R2.14623 CCCCN(Cc1nccs1)c2ccccc2 269982a_100000211623_100015184050 [0,1,1,0,0,0|2,0,0]=4 1429 B18R2.14623 CCCCN(Cc1nccs1)c2ccccc2 34a_100000211623_100015184050 [0,1,1,0,0,0|2,0,0]=4 1430 B18R2.14623 CCCCN(Cc1ncon1)c2ccccc2 269982a_100000211623_100000233494 [0,1,1,0,0,0|2,0,0]=4 1431 B18R2.14623 CCCCN(Cc1ncon1)c2ccccc2 34a_100000211623_100000233494 [0,1,1,0,0,0|2,0,0]=4 1432 B18R2.14623 CCCCN(Cn1cncn1)c2ccccc2 2230a_100000211623_200020645497 [0,1,1,0,0,0|1,0,1]=4 1433 B18R2.14623 CCCCN(Cn1cncn1)c2ccccc2 269982a_100000211623_200020645497 [0,1,1,0,0,0|1,0,1]=4 1434 B18R2.14623 CCCCN(Cn1cncn1)c2ccccc2 34a_100000211623_200020645497 [0,1,1,0,0,0|1,0,1]=4 1435 B18R2.14623 CCOCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000739092 [0,1,1,0,0,0|2,0,0]=4 1436 B18R2.14623 COCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100011201679 [0,1,1,0,0,0|2,0,0]=4 1437 B18R2.14623 COCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000233755 [0,1,1,0,0,0|2,0,0]=4 1438 B18R2.14623 COCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100011201679 [0,1,1,0,0,0|2,0,0]=4 1439 B18R2.14623 CSCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000751147 [0,1,1,0,0,0|2,0,0]=4 1440 B18R2.14623 CSCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000212216 [0,1,1,0,0,0|2,0,0]=4 1441 B18R2.14623 CSCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100000212216 [0,1,1,0,0,0|2,0,0]=4 1442 B18R2.14623 FCCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100011934791 [0,1,1,0,0,0|2,0,0]=4 1443 B18R2.14623 FCCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100011934791 [0,1,1,0,0,0|2,0,0]=4 1444 B18R2.14623 FCCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100011934791 [0,1,1,0,0,0|2,0,0]=4 1445 B18R2.14623 N#CCCN(Cc1c[nH]cn1)c2ccccc2 2230a_100000183874_100000707719 [0,1,1,0,0,0|0,0,1]=3 1446 B18R2.14623 N#CCCN(Cc1cscn1)c2ccccc2 2230a_100000183874_100000205941 [0,1,1,0,0,0|1,0,1]=4 1447 B18R2.14623 OCCCN(Cc1c[nH]cn1)c2ccccc2 2230a_100000212590_100000707719 [0,1,1,0,0,0|0,0,0]=2 1448 B18R2.14623 OCCCN(Cc1c[nH]cn1)c2ccccc2 269982a_100000212590_100000707719 [0,1,1,0,0,0|0,0,0]=2 1449 B18R2.14623 OCCCN(Cc1c[nH]cn1)c2ccccc2 34a_100000212590_100000707719 [0,1,1,0,0,0|0,0,0]=2 1450 B18R2.14623 OCCCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000230001 [0,1,1,0,0,0|2,0,0]=4 1451 B18R2.14623 OCCCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100011215043 [0,1,1,0,0,0|2,0,0]=4 1452 B18R2.14623 OCCCN(Cc1ccco1)c2ccccc2 34a_100000230375_100000230001 [0,1,1,0,0,0|2,0,0]=4 1453 B18R2.14623 OCCCN(Cc1ccon1)c2ccccc2 2230a_100000212590_100000234950 [0,1,1,0,0,0|2,0,0]=4 1454 B18R2.14623 OCCCN(Cc1ccon1)c2ccccc2 269982a_100000212590_100000234950 [0,1,1,0,0,0|2,0,0]=4 1455 B18R2.14623 OCCCN(Cc1ccon1)c2ccccc2 34a_100000212590_100000234950 [0,1,1,0,0,0|2,0,0]=4 1456 B18R2.14623 OCCCN(Cc1ccsc1)c2ccccc2 2230a_100000212590_100011261437 [0,1,1,0,0,0|2,0,0]=4 1457 B18R2.14623 OCCCN(Cc1ccsc1)c2ccccc2 269982a_100000212590_100011233845 [0,1,1,0,0,0|2,0,0]=4 1458 B18R2.14623 OCCCN(Cc1ccsc1)c2ccccc2 34a_100000212590_100011261437 [0,1,1,0,0,0|2,0,0]=4 1459 B18R2.14623 OCCCN(Cc1cncs1)c2ccccc2 2230a_100000212590_100015185245 [0,1,1,0,0,0|1,0,1]=4 1460 B18R2.14623 OCCCN(Cc1cncs1)c2ccccc2 269982a_100000212590_100015185245 [0,1,1,0,0,0|1,0,1]=4 1461 B18R2.14623 OCCCN(Cc1cncs1)c2ccccc2 34a_100000212590_100015185245 [0,1,1,0,0,0|1,0,1]=4 1462 B18R2.14623 OCCCN(Cc1cscn1)c2ccccc2 2230a_100000212590_100000205941 [0,1,1,0,0,0|1,0,0]=3 1463 B18R2.14623 OCCCN(Cc1cscn1)c2ccccc2 269982a_100000212590_100000205941 [0,1,1,0,0,0|1,0,0]=3 1464 B18R2.14623 OCCCN(Cc1cscn1)c2ccccc2 34a_100000212590_100000205941 [0,1,1,0,0,0|1,0,0]=3 1465 B18R2.14623 OCCCN(Cc1ncc[nH]1)c2ccccc2 2230a_100000212590_100016991755 [0,1,1,0,0,0|2,0,0]=4 1466 B18R2.14623 OCCCN(Cc1ncc[nH]1)c2ccccc2 269982a_100000212590_100016991755 [0,1,1,0,0,0|2,0,0]=4 1467 B18R2.14623 OCCCN(Cc1ncc[nH]1)c2ccccc2 34a_100000212590_100016991755 [0,1,1,0,0,0|2,0,0]=4 1468 B18R2.14623 OCCCN(Cc1ncco1)c2ccccc2 2230a_100000212590_103436540062 [0,1,1,0,0,0|2,0,0]=4 1469 B18R2.14623 OCCCN(Cc1ncco1)c2ccccc2 269982a_100000212590_103436540062 [0,1,1,0,0,0|2,0,0]=4 1470 B18R2.14623 OCCCN(Cc1ncco1)c2ccccc2 34a_100000212590_103436540062 [0,1,1,0,0,0|2,0,0]=4 1471 B18R2.14623 OCCCN(Cc1nccs1)c2ccccc2 2230a_100000212590_100015184050 [0,1,1,0,0,0|2,0,0]=4 1472 B18R2.14623 OCCCN(Cc1nccs1)c2ccccc2 269982a_100000212590_100015184050 [0,1,1,0,0,0|2,0,0]=4 1473 B18R2.14623 OCCCN(Cc1nccs1)c2ccccc2 34a_100000212590_100015184050 [0,1,1,0,0,0|2,0,0]=4 1474 B18R2.14623 OCCCN(Cc1ncon1)c2ccccc2 269982a_100000212590_100000233494 [0,1,1,0,0,0|2,0,0]=4 1475 B18R2.14623 OCCCN(Cc1ncon1)c2ccccc2 34a_100000212590_100000233494 [0,1,1,0,0,0|2,0,0]=4 1476 B18R2.14623 OCCCN(Cn1cncn1)c2ccccc2 2230a_100000212590_200020645497 [0,1,1,0,0,0|1,0,1]=4 1477 B18R2.14623 OCCCN(Cn1cncn1)c2ccccc2 269982a_100000212590_200020645497 [0,1,1,0,0,0|1,0,1]=4 1478 B18R2.14623 OCCCN(Cn1cncn1)c2ccccc2 34a_100000212590_200020645497 [0,1,1,0,0,0|1,0,1]=4 1479 B18R2.21284 CC(C#N)N(Cc1c[nH]cn1)c2ccccc2 34a_100000762819_100000707719 [0,1,1,0,0,0|1,0,1]=4 1480 B18R2.21284 CCC(C)N(Cc1ccco1)c2ccccc2 2230a_100000230375_100000758301 [0,1,1,0,0,0|2,0,0]=4 1481 B18R2.21284 CCC(C)N(Cc1ccco1)c2ccccc2 269982a_100000230375_100000758301 [0,1,1,0,0,0|2,0,0]=4 1482 B18R2.21284 CCC(C)N(Cc1ccco1)c2ccccc2 34a_100000230375_100011215416 [0,1,1,0,0,0|2,0,0]=4 1483 B18R2.125434 CCCN(Cc1c[nH]cn1)c2ccccc2F 2230a_100011231789_100000707719 [0,1,1,0,0,0|0,0,0]=2 1484 B18R2.125434 CCCN(Cc1c[nH]cn1)c2ccccc2F 269982a_100011231789_100000707719 [0,1,1,0,0,0|0,0,0]=2 1485 B18R2.125434 CCCN(Cc1c[nH]cn1)c2ccccc2F 34a_100011231789_100000707719 [0,1,1,0,0,0|0,0,0]=2 1486 B18R2.125434 CCCN(Cc1ccon1)c2ccccc2F 2230a_100011231789_100000234950 [0,1,1,0,0,0|2,0,0]=4 1487 B18R2.125434 CCCN(Cc1ccon1)c2ccccc2F 269982a_100011231789_100000234950 [0,1,1,0,0,0|2,0,0]=4 1488 B18R2.125434 CCCN(Cc1ccon1)c2ccccc2F 34a_100011231789_100000234950 [0,1,1,0,0,0|2,0,0]=4 1489 B18R2.125434 CCCN(Cc1ccsc1)c2ccccc2F 2230a_100011231789_100011261437 [0,1,1,0,0,0|2,0,0]=4 1490 B18R2.125434 CCCN(Cc1ccsc1)c2ccccc2F 269982a_100011231789_100011233845 [0,1,1,0,0,0|2,0,0]=4 1491 B18R2.125434 CCCN(Cc1ccsc1)c2ccccc2F 34a_100011231789_100011261437 [0,1,1,0,0,0|2,0,0]=4 1492 B18R2.125434 CCCN(Cc1cncs1)c2ccccc2F 2230a_100011231789_100015185245 [0,1,1,0,0,0|1,0,1]=4 1493 B18R2.125434 CCCN(Cc1cncs1)c2ccccc2F 269982a_100011231789_100015185245 [0,1,1,0,0,0|1,0,1]=4 1494 B18R2.125434 CCCN(Cc1cncs1)c2ccccc2F 34a_100011231789_100015185245 [0,1,1,0,0,0|1,0,1]=4 1495 B18R2.125434 CCCN(Cc1cscn1)c2ccccc2F 2230a_100011231789_100000205941 [0,1,1,0,0,0|1,0,0]=3 1496 B18R2.125434 CCCN(Cc1cscn1)c2ccccc2F 269982a_100011231789_100000205941 [0,1,1,0,0,0|1,0,0]=3 1497 B18R2.125434 CCCN(Cc1cscn1)c2ccccc2F 34a_100011231789_100000205941 [0,1,1,0,0,0|1,0,0]=3 1498 B18R2.125434 CCCN(Cc1ncc[nH]1)c2ccccc2F 2230a_100011231789_100016991755 [0,1,1,0,0,0|2,0,0]=4 1499 B18R2.125434 CCCN(Cc1ncc[nH]1)c2ccccc2F 269982a_100011231789_100016991755 [0,1,1,0,0,0|2,0,0]=4 1500 B18R2.125434 CCCN(Cc1ncc[nH]1)c2ccccc2F 34a_100011231789_100016991755 [0,1,1,0,0,0|2,0,0]=4 1501 B18R2.125434 CCCN(Cc1ncco1)c2ccccc2F 2230a_100011231789_103436540062 [0,1,1,0,0,0|2,0,0]=4 1502 B18R2.125434 CCCN(Cc1ncco1)c2ccccc2F 269982a_100011231789_103436540062 [0,1,1,0,0,0|2,0,0]=4 1503 B18R2.125434 CCCN(Cc1ncco1)c2ccccc2F 34a_100011231789_103436540062 [0,1,1,0,0,0|2,0,0]=4 1504 B18R2.125434 CCCN(Cc1nccs1)c2ccccc2F 2230a_100011231789_100015184050 [0,1,1,0,0,0|2,0,0]=4 1505 B18R2.125434 CCCN(Cc1nccs1)c2ccccc2F 269982a_100011231789_100015184050 [0,1,1,0,0,0|2,0,0]=4 1506 B18R2.125434 CCCN(Cc1nccs1)c2ccccc2F 34a_100011231789_100015184050 [0,1,1,0,0,0|2,0,0]=4 1507 B18R2.125434 CCCN(Cc1ncon1)c2ccccc2F 269982a_100011231789_100000233494 [0,1,1,0,0,0|2,0,0]=4 1508 B18R2.125434 CCCN(Cc1ncon1)c2ccccc2F 34a_100011231789_100000233494 [0,1,1,0,0,0|2,0,0]=4 1509 B18R2.125434 CCCN(Cn1cncn1)c2ccccc2F 2230a_100011231789_200020645497 [0,1,1,0,0,0|1,0,1]=4 1510 B18R2.125434 CCCN(Cn1cncn1)c2ccccc2F 269982a_100011231789_200020645497 [0,1,1,0,0,0|1,0,1]=4 1511 B18R2.125434 CCCN(Cn1cncn1)c2ccccc2F 34a_100011231789_200020645497 [0,1,1,0,0,0|1,0,1]=4 1512 B18R2.125434 Cc1ccccc1N(CCO)Cc2c[nH]cn2 269982a_100011233185_100000707719 [0,1,1,0,0,0|1,0,0]=3 1513 B18R2.125434 Cc1ccccc1N(CCO)Cc2c[nH]cn2 34a_100011233185_100000707719 [0,1,1,0,0,0|1,0,0]=3 1514 B18R2.125434 Cc1ccccc1N(CCO)Cc2cscn2 269982a_100011233185_100000205941 [0,1,1,0,0,0|2,0,0]=4 1515 B18R2.125434 Cc1ccccc1N(CCO)Cc2cscn2 34a_100011233185_100000205941 [0,1,1,0,0,0|2,0,0]=4 1516 B18R2.3701 Brc1c[nH]c(c1)CNCCCc2ccccc2 270004a_100000211184_100000720742 [0,1,1,0,0,0|1,0,1]=4 1517 B18R2.3701 Brc1cc(cs1)CNCCCc2ccccc2 207a_100000211184_100000737087 [0,1,1,0,0,0|2,0,0]=4 1518 B18R2.3701 Brc1cc(cs1)CNCCCc2ccccc2 270004a_100000211184_100000737087 [0,1,1,0,0,0|2,0,0]=4 1519 B18R2.3701 Brc1ccc(o1)CNCCCc2ccccc2 207a_100000211184_100000185145 [0,1,1,0,0,0|2,0,0]=4 1520 B18R2.3701 Brc1ccc(o1)CNCCCc2ccccc2 270004a_100000211184_100000185145 [0,1,1,0,0,0|2,0,0]=4 1521 B18R2.3701 Brc1ccc(o1)CNCCCc2ccccc2 34a_100000708654_100000211621 [0,1,1,0,0,0|2,0,0]=4 1522 B18R2.3701 Brc1ccc(s1)CNCCCc2ccccc2 207a_100000211184_100000179771 [0,1,1,0,0,0|2,0,0]=4 1523 B18R2.3701 Brc1ccc(s1)CNCCCc2ccccc2 2230a_100000211184_100000708592 [0,1,1,0,0,0|2,0,0]=4 1524 B18R2.3701 Brc1ccc(s1)CNCCCc2ccccc2 270004a_100000211184_100000179771 [0,1,1,0,0,0|2,0,0]=4 1525 B18R2.3701 Brc1ccc(s1)CNCCCc2ccccc2 34a_100000211184_100000708592 [0,1,1,0,0,0|2,0,0]=4 1526 B18R2.3701 Brc1cnc(s1)CNCCCc2ccccc2 270004a_100000211184_100000699580 [0,1,1,0,0,0|2,0,0]=4 1527 B18R2.3701 Brc1coc(c1)CNCCCc2ccccc2 270004a_100000211184_100000747035 [0,1,1,0,0,0|2,0,0]=4 1528 B18R2.3701 Brc1csc(c1)CNCCCc2ccccc2 207a_100000211184_100000211722 [0,1,1,0,0,0|2,0,0]=4 1529 B18R2.3701 Brc1csc(c1)CNCCCc2ccccc2 2230a_100000211184_100000746031 [0,1,1,0,0,0|2,0,0]=4 1530 B18R2.3701 Brc1csc(c1)CNCCCc2ccccc2 2230a_100000741024_100000211621 [0,1,1,0,0,0|2,0,0]=4 1531 B18R2.3701 Brc1csc(c1)CNCCCc2ccccc2 270004a_100000211184_100000211722 [0,1,1,0,0,0|2,0,0]=4 1532 B18R2.3701 Brc1csc(c1)CNCCCc2ccccc2 34a_100000211184_100000746031 [0,1,1,0,0,0|2,0,0]=4 1533 B18R2.3701 Brc1csc(c1)CNCCCc2ccccc2 34a_100000741024_100000211621 [0,1,1,0,0,0|2,0,0]=4 1534 B18R2.3701 Brc1csc(n1)CNCCCc2ccccc2 270004a_100000211184_100009816814 [0,1,1,0,0,0|2,0,0]=4 1535 B18R2.3701 Brc1nc(cs1)CNCCCc2ccccc2 270004a_100000211184_100009816748 [0,1,1,0,0,0|1,0,0]=3 1536 B18R2.3701 Brc1nc(cs1)CNCCCc2ccccn2 270004a_100000689020_100009816748 [0,1,1,0,0,0|2,0,0]=4 1537 B18R2.3701 Brc1nc(cs1)CNCCCc2cccnc2 270004a_100011532358_100009816748 [0,1,1,0,0,0|2,0,0]=4 1538 B18R2.3701 Brc1nc(cs1)CNCCCc2ccncc2 270004a_100011275580_100009816748 [0,1,1,0,0,0|2,0,0]=4 1539 B18R2.3701 Brc1nc(cs1)CNCCOc2ccccc2 270004a_100000174943_100009816748 [0,1,1,0,0,0|2,0,0]=4 1540 B18R2.3701 Brc1nc(cs1)CNCCSc2ccccc2 270004a_100000189519_100009816748 [0,1,1,0,0,0|2,0,0]=4 1541 B18R2.3701 Brc1ncc(s1)CNCCCc2ccccc2 2230a_100000211184_100000717027 [0,1,1,0,0,0|1,0,1]=4 1542 B18R2.3701 Brc1ncc(s1)CNCCCc2ccccc2 2230a_100000726991_100000211621 [0,1,1,0,0,0|1,0,1]=4 1543 B18R2.3701 Brc1ncc(s1)CNCCCc2ccccc2 270004a_100000211184_100009814069 [0,1,1,0,0,0|1,0,1]=4 1544 B18R2.3701 Brc1ncc(s1)CNCCCc2ccccc2 34a_100000211184_100000717027 [0,1,1,0,0,0|1,0,1]=4 1545 B18R2.3701 Cc1c[nH]c(n1)CNCCCc2ccccc2 207a_100000211184_100000082322 [0,1,1,0,0,0|2,0,0]=4 1546 B18R2.3701 Cc1c[nH]c(n1)CNCCCc2ccccc2 270004a_100000211184_100000082322 [0,1,1,0,0,0|2,0,0]=4 1547 B18R2.3701 Cc1cc(cs1)CNCCCc2ccccc2 207a_100000211184_100011998532 [0,1,1,0,0,0|2,0,0]=4 1548 B18R2.3701 Cc1cc(cs1)CNCCCc2ccccc2 270004a_100000211184_100011998532 [0,1,1,0,0,0|2,0,0]=4 1549 B18R2.3701 Cc1cc(no1)CNCCCc2ccccc2 207a_100000211184_100011217994 [0,1,1,0,0,0|2,0,0]=4 1550 B18R2.3701 Cc1cc(no1)CNCCCc2ccccc2 2230a_100000211184_100000199038 [0,1,1,0,0,0|2,0,0]=4 1551 B18R2.3701 Cc1cc(no1)CNCCCc2ccccc2 2230a_100000745230_100000211621 [0,1,1,0,0,0|2,0,0]=4 1552 B18R2.3701 Cc1cc(no1)CNCCCc2ccccc2 270004a_100000211184_100011217994 [0,1,1,0,0,0|2,0,0]=4 1553 B18R2.3701 Cc1cc(no1)CNCCCc2ccccc2 34a_100000211184_100000199038 [0,1,1,0,0,0|2,0,0]=4 1554 B18R2.3701 Cc1cc(no1)CNCCCc2ccccc2 34a_100000745230_100000211621 [0,1,1,0,0,0|2,0,0]=4 1555 B18R2.3701 Cc1cc(ns1)CNCCCc2ccccc2 207a_100000211184_200000100279 [0,1,1,0,0,0|2,0,0]=4 1556 B18R2.3701 Cc1cc(ns1)CNCCCc2ccccc2 270004a_100000211184_200000100279 [0,1,1,0,0,0|2,0,0]=4 1557 B18R2.3701 Cc1ccc(o1)CNCCCc2ccccc2 207a_100000211184_100000183696 [0,1,1,0,0,0|2,0,0]=4 1558 B18R2.3701 Cc1ccc(o1)CNCCCc2ccccc2 270004a_100000211184_100000183696 [0,1,1,0,0,0|2,0,0]=4 1559 B18R2.3701 Cc1ccc(o1)CNCCCc2ccccc2 34a_100011194323_100000211621 [0,1,1,0,0,0|2,0,0]=4 1560 B18R2.3701 Cc1ccc(s1)CNCCCc2ccccc2 207a_100000211184_100000211121 [0,1,1,0,0,0|2,0,0]=4 1561 B18R2.3701 Cc1ccc(s1)CNCCCc2ccccc2 2230a_100000238518_100000211621 [0,1,1,0,0,0|2,0,0]=4 1562 B18R2.3701 Cc1ccc(s1)CNCCCc2ccccc2 270004a_100000211184_100000211121 [0,1,1,0,0,0|2,0,0]=4 1563 B18R2.3701 Cc1cnc(o1)CNCCCc2ccccc2 2230a_100138411809_100000211621 [0,1,1,0,0,0|2,0,0]=4 1564 B18R2.3701 Cc1cnc(o1)CNCCCc2ccccc2 34a_100138411809_100000211621 [0,1,1,0,0,0|2,0,0]=4 1565 B18R2.3701 Cc1cnc(s1)CNCCCc2ccccc2 207a_100000211184_100011361622 [0,1,1,0,0,0|2,0,0]=4 1566 B18R2.3701 Cc1cnc(s1)CNCCCc2ccccc2 270004a_100000211184_100011361622 [0,1,1,0,0,0|2,0,0]=4 1567 B18R2.3701 Cc1csc(c1)CNCCCc2ccccc2 207a_100000211184_100102525248 [0,1,1,0,0,0|2,0,0]=4 1568 B18R2.3701 Cc1csc(c1)CNCCCc2ccccc2 2230a_100015204214_100000211621 [0,1,1,0,0,0|2,0,0]=4 1569 B18R2.3701 Cc1csc(c1)CNCCCc2ccccc2 270004a_100000211184_100102525248 [0,1,1,0,0,0|2,0,0]=4 1570 B18R2.3701 Cc1csc(c1)CNCCCc2ccccc2 34a_100015204214_100000211621 [0,1,1,0,0,0|2,0,0]=4 1571 B18R2.3701 Cc1csc(n1)CNCCCc2ccccc2 207a_100000211184_100000756994 [0,1,1,0,0,0|2,0,0]=4 1572 B18R2.3701 Cc1csc(n1)CNCCCc2ccccc2 2230a_100015183719_100000211621 [0,1,1,0,0,0|2,0,0]=4 1573 B18R2.3701 Cc1csc(n1)CNCCCc2ccccc2 270004a_100000211184_100000756994 [0,1,1,0,0,0|2,0,0]=4 1574 B18R2.3701 Cc1nc(c[nH]1)CNCCCc2ccccc2 207a_100000211184_100011219055 [0,1,1,0,0,0|0,0,0]=2 1575 B18R2.3701 Cc1nc(c[nH]1)CNCCCc2ccccn2 207a_100000689020_100011219055 [0,1,1,0,0,0|1,0,0]=3 1576 B18R2.3701 Cc1nc(c[nH]1)CNCCCc2cccnc2 207a_100011532358_100011219055 [0,1,1,0,0,0|1,0,0]=3 1577 B18R2.3701 Cc1nc(c[nH]1)CNCCCc2ccncc2 207a_100011275580_100011219055 [0,1,1,0,0,0|1,0,0]=3 1578 B18R2.3701 Cc1nc(c[nH]1)CNCCOc2ccccc2 207a_100000174943_100011219055 [0,1,1,0,0,0|1,0,0]=3 1579 B18R2.3701 Cc1nc(c[nH]1)CNCCOc2ccccn2 207a_106741647558_100011219055 [0,1,1,0,0,0|2,0,0]=4 1580 B18R2.3701 Cc1nc(c[nH]1)CNCCOc2cccnc2 207a_100000754688_100011219055 [0,1,1,0,0,0|2,0,0]=4 1581 B18R2.3701 Cc1nc(c[nH]1)CNCCOc2ccncc2 207a_100025717301_100011219055 [0,1,1,0,0,0|2,0,0]=4 1582 B18R2.3701 Cc1nc(c[nH]1)CNCCSc2ccccc2 207a_100000189519_100011219055 [0,1,1,0,0,0|1,0,0]=3 1583 B18R2.3701 Cc1nc(c[nH]1)SCCCCc2ccccc2 62a_100000701786_100009814057 [0,1,1,0,0,0|2,0,0]=4 1584 B18R2.3701 Cc1nc(c[nH]1)SCCCCc2ccccc2 62a_100009814057_100000701786 [0,1,1,0,0,0|2,0,0]=4 1585 B18R2.3701 Cc1nc(co1)CNCCCc2ccccc2 207a_100000211184_100011361629 [0,1,1,0,0,0|1,0,0]=3 1586 B18R2.3701 Cc1nc(co1)CNCCCc2ccccc2 270004a_100000211184_100011361629 [0,1,1,0,0,0|1,0,0]=3 1587 B18R2.3701 Cc1nc(co1)CNCCCc2ccccn2 207a_100000689020_100011361629 [0,1,1,0,0,0|2,0,0]=4 1588 B18R2.3701 Cc1nc(co1)CNCCCc2ccccn2 270004a_100000689020_100011361629 [0,1,1,0,0,0|2,0,0]=4 1589 B18R2.3701 Cc1nc(co1)CNCCCc2cccnc2 207a_100011532358_100011361629 [0,1,1,0,0,0|2,0,0]=4 1590 B18R2.3701 Cc1nc(co1)CNCCCc2cccnc2 270004a_100011532358_100011361629 [0,1,1,0,0,0|2,0,0]=4 1591 B18R2.3701 Cc1nc(co1)CNCCCc2ccncc2 207a_100011275580_100011361629 [0,1,1,0,0,0|2,0,0]=4 1592 B18R2.3701 Cc1nc(co1)CNCCCc2ccncc2 270004a_100011275580_100011361629 [0,1,1,0,0,0|2,0,0]=4 1593 B18R2.3701 Cc1nc(co1)CNCCOc2ccccc2 207a_100000174943_100011361629 [0,1,1,0,0,0|2,0,0]=4 1594 B18R2.3701 Cc1nc(co1)CNCCOc2ccccc2 270004a_100000174943_100011361629 [0,1,1,0,0,0|2,0,0]=4 1595 B18R2.3701 Cc1nc(co1)CNCCSc2ccccc2 207a_100000189519_100011361629 [0,1,1,0,0,0|2,0,0]=4 1596 B18R2.3701 Cc1nc(co1)CNCCSc2ccccc2 270004a_100000189519_100011361629 [0,1,1,0,0,0|2,0,0]=4 1597 B18R2.3701 Cc1nc(co1)COCCCc2ccccc2 34a_100012017233_100000211621 [0,1,1,0,0,0|2,0,0]=4 1598 B18R2.3701 Cc1nc(cs1)CNCCCc2ccccc2 207a_100000211184_100000203724 [0,1,1,0,0,0|1,0,0]=3 1599 B18R2.3701 Cc1nc(cs1)CNCCCc2ccccc2 2230a_100000211184_100015186478 [0,1,1,0,0,0|1,0,0]=3 1600 B18R2.3701 Cc1nc(cs1)CNCCCc2ccccc2 270004a_100000211184_100000203724 [0,1,1,0,0,0|1,0,0]=3 1601 B18R2.3701 Cc1nc(cs1)CNCCCc2ccccc2 34a_100000211184_100015186478 [0,1,1,0,0,0|1,0,0]=3 1602 B18R2.3701 Cc1nc(cs1)CNCCCc2ccccc2 34a_100000707933_100000211621 [0,1,1,0,0,0|1,0,0]=3 1603 B18R2.3701 Cc1nc(cs1)CNCCCc2ccccn2 207a_100000689020_100000203724 [0,1,1,0,0,0|2,0,0]=4 1604 B18R2.3701 Cc1nc(cs1)CNCCCc2ccccn2 270004a_100000689020_100000203724 [0,1,1,0,0,0|2,0,0]=4 1605 B18R2.3701 Cc1nc(cs1)CNCCCc2cccnc2 207a_100011532358_100000203724 [0,1,1,0,0,0|2,0,0]=4 1606 B18R2.3701 Cc1nc(cs1)CNCCCc2cccnc2 2230a_100011532358_100015186478 [0,1,1,0,0,0|2,0,0]=4 1607 B18R2.3701 Cc1nc(cs1)CNCCCc2cccnc2 270004a_100011532358_100000203724 [0,1,1,0,0,0|2,0,0]=4 1608 B18R2.3701 Cc1nc(cs1)CNCCCc2cccnc2 34a_100011532358_100015186478 [0,1,1,0,0,0|2,0,0]=4 1609 B18R2.3701 Cc1nc(cs1)CNCCCc2ccncc2 207a_100011275580_100000203724 [0,1,1,0,0,0|2,0,0]=4 1610 B18R2.3701 Cc1nc(cs1)CNCCCc2ccncc2 2230a_100011275580_100015186478 [0,1,1,0,0,0|2,0,0]=4 1611 B18R2.3701 Cc1nc(cs1)CNCCCc2ccncc2 270004a_100011275580_100000203724 [0,1,1,0,0,0|2,0,0]=4 1612 B18R2.3701 Cc1nc(cs1)CNCCOc2ccccc2 207a_100000174943_100000203724 [0,1,1,0,0,0|2,0,0]=4 1613 B18R2.3701 Cc1nc(cs1)CNCCOc2ccccc2 2230a_100000174943_100015186478 [0,1,1,0,0,0|2,0,0]=4 1614 B18R2.3701 Cc1nc(cs1)CNCCOc2ccccc2 270004a_100000174943_100000203724 [0,1,1,0,0,0|2,0,0]=4 1615 B18R2.3701 Cc1nc(cs1)CNCCOc2ccccc2 34a_100000174943_100015186478 [0,1,1,0,0,0|2,0,0]=4 1616 B18R2.3701 Cc1nc(cs1)CNCCOc2ccccc2 34a_100000707933_100000184471 [0,1,1,0,0,0|2,0,0]=4 1617 B18R2.3701 Cc1nc(cs1)CNCCSc2ccccc2 207a_100000189519_100000203724 [0,1,1,0,0,0|2,0,0]=4 1618 B18R2.3701 Cc1nc(cs1)CNCCSc2ccccc2 2230a_100000189519_100015186478 [0,1,1,0,0,0|2,0,0]=4 1619 B18R2.3701 Cc1nc(cs1)CNCCSc2ccccc2 270004a_100000189519_100000203724 [0,1,1,0,0,0|2,0,0]=4 1620 B18R2.3701 Cc1nc(cs1)CNCCSc2ccccc2 34a_100000707933_100000246102 [0,1,1,0,0,0|2,0,0]=4 1621 B18R2.3701 Cc1nc(cs1)CNCOCc2ccccc2 34a_100000707933_100000763385 [0,1,1,0,0,0|2,0,0]=4 1622 B18R2.3701 Cc1nc(cs1)CNCSCc2ccccc2 34a_100000707933_200011217039 [0,1,1,0,0,0|2,0,0]=4 1623 B18R2.3701 Cc1nc(cs1)COCCCc2ccccc2 34a_100000210828_100015186478 [0,1,1,0,0,0|2,0,0]=4 1624 B18R2.3701 Cc1nc(cs1)COCCCc2ccccc2 34a_100000735831_100000211621 [0,1,1,0,0,0|2,0,0]=4 1625 B18R2.3701 Cc1nc(cs1)COCCCc2ccccc2 7a_100000210828_100015186478 [0,1,1,0,0,0|2,0,0]=4 1626 B18R2.3701 Cc1nc(cs1)CSCCCc2ccccc2 62a_100000211621_100015186478 [0,1,1,0,0,0|2,0,0]=4 1627 B18R2.3701 Cc1nc(cs1)CSCCCc2ccccc2 62a_100015186478_100000211621 [0,1,1,0,0,0|2,0,0]=4 1628 B18R2.3701 Cc1nc(n[nH]1)CNCCCc2ccccc2 2230a_100000752542_100000211621 [0,1,1,0,0,0|1,0,0]=3 1629 B18R2.3701 Cc1nc(n[nH]1)CNCCOc2ccccc2 2230a_100000752542_100000184471 [0,1,1,0,0,0|2,0,0]=4 1630 B18R2.3701 Cc1nc(n[nH]1)CNCCSc2ccccc2 2230a_100000752542_100000246102 [0,1,1,0,0,0|2,0,0]=4 1631 B18R2.3701 Cc1nc(n[nH]1)CNCOCc2ccccc2 2230a_100000752542_100000763385 [0,1,1,0,0,0|2,0,0]=4 1632 B18R2.3701 Cc1nc(n[nH]1)CNCSCc2ccccc2 2230a_100000752542_200011217039 [0,1,1,0,0,0|2,0,0]=4 1633 B18R2.3701 Cc1nc(no1)CNCCCc2ccccc2 2230a_100000211184_100000231061 [0,1,1,0,0,0|2,0,0]=4 1634 B18R2.3701 Cc1nc(no1)CNCCCc2ccccc2 34a_100000211184_100000231061 [0,1,1,0,0,0|2,0,0]=4 1635 B18R2.3701 Cc1ncc(o1)CNCCCc2ccccc2 207a_100000211184_100000084308 [0,1,1,0,0,0|1,0,1]=4 1636 B18R2.3701 Cc1ncc(o1)CNCCCc2ccccc2 270004a_100000211184_100000084308 [0,1,1,0,0,0|1,0,1]=4 1637 B18R2.3701 Cc1ncc(s1)CNCCCc2ccccc2 207a_100000211184_100000740557 [0,1,1,0,0,0|1,0,1]=4 1638 B18R2.3701 Cc1ncc(s1)CNCCCc2ccccc2 2230a_100000211184_100020635045 [0,1,1,0,0,0|1,0,1]=4 1639 B18R2.3701 Cc1ncc(s1)CNCCCc2ccccc2 2230a_200000743601_100000211621 [0,1,1,0,0,0|1,0,1]=4 1640 B18R2.3701 Cc1ncc(s1)CNCCCc2ccccc2 270004a_100000211184_100000740557 [0,1,1,0,0,0|1,0,1]=4 1641 B18R2.3701 Cc1ncc(s1)CNCCCc2ccccc2 34a_100000211184_100020635045 [0,1,1,0,0,0|1,0,1]=4 1642 B18R2.3701 Cc1noc(n1)CNCCCc2ccccc2 2230a_100000211184_100000735555 [0,1,1,0,0,0|1,0,1]=4 1643 B18R2.3701 Cc1noc(n1)CNCCCc2ccccc2 34a_100000211184_100000735555 [0,1,1,0,0,0|1,0,1]=4 1644 B18R2.3701 Clc1cc(cs1)CNCCCc2ccccc2 207a_100000211184_100009844934 [0,1,1,0,0,0|2,0,0]=4 1645 B18R2.3701 Clc1cc(cs1)CNCCCc2ccccc2 270004a_100000211184_100009844934 [0,1,1,0,0,0|2,0,0]=4 1646 B18R2.3701 Clc1ccc(o1)CNCCCc2ccccc2 207a_100000211184_100000188459 [0,1,1,0,0,0|2,0,0]=4 1647 B18R2.3701 Clc1ccc(o1)CNCCCc2ccccc2 270004a_100000211184_100000188459 [0,1,1,0,0,0|2,0,0]=4 1648 B18R2.3701 Clc1ccc(s1)CNCCCc2ccccc2 207a_100000211184_100000242774 [0,1,1,0,0,0|2,0,0]=4 1649 B18R2.3701 Clc1ccc(s1)CNCCCc2ccccc2 2230a_100000211184_100000185097 [0,1,1,0,0,0|2,0,0]=4 1650 B18R2.3701 Clc1ccc(s1)CNCCCc2ccccc2 2230a_100000737310_100000211621 [0,1,1,0,0,0|2,0,0]=4 1651 B18R2.3701 Clc1ccc(s1)CNCCCc2ccccc2 270004a_100000211184_100000242774 [0,1,1,0,0,0|2,0,0]=4 1652 B18R2.3701 Clc1ccc(s1)CNCCCc2ccccc2 34a_100000211184_100000185097 [0,1,1,0,0,0|2,0,0]=4 1653 B18R2.3701 Clc1cnc(s1)CNCCCc2ccccc2 270004a_100000211184_100000699884 [0,1,1,0,0,0|2,0,0]=4 1654 B18R2.3701 Clc1csc(c1)CNCCCc2ccccc2 207a_100000211184_100000102487 [0,1,1,0,0,0|2,0,0]=4 1655 B18R2.3701 Clc1csc(c1)CNCCCc2ccccc2 270004a_100000211184_100000102487 [0,1,1,0,0,0|2,0,0]=4 1656 B18R2.3701 Clc1nc(cs1)CNCCCc2ccccc2 2230a_100000211184_100000024076 [0,1,1,0,0,0|1,0,0]=3 1657 B18R2.3701 Clc1nc(cs1)CNCCCc2ccccc2 270004a_100000211184_100011935135 [0,1,1,0,0,0|1,0,0]=3 1658 B18R2.3701 Clc1nc(cs1)CNCCCc2ccccc2 34a_100000211184_100000024076 [0,1,1,0,0,0|1,0,0]=3 1659 B18R2.3701 Clc1nc(cs1)CNCCCc2ccccn2 270004a_100000689020_100011935135 [0,1,1,0,0,0|2,0,0]=4 1660 B18R2.3701 Clc1nc(cs1)CNCCCc2cccnc2 2230a_100011532358_100000024076 [0,1,1,0,0,0|2,0,0]=4 1661 B18R2.3701 Clc1nc(cs1)CNCCCc2cccnc2 270004a_100011532358_100011935135 [0,1,1,0,0,0|2,0,0]=4 1662 B18R2.3701 Clc1nc(cs1)CNCCCc2cccnc2 34a_100011532358_100000024076 [0,1,1,0,0,0|2,0,0]=4 1663 B18R2.3701 Clc1nc(cs1)CNCCCc2ccncc2 2230a_100011275580_100000024076 [0,1,1,0,0,0|2,0,0]=4 1664 B18R2.3701 Clc1nc(cs1)CNCCCc2ccncc2 270004a_100011275580_100011935135 [0,1,1,0,0,0|2,0,0]=4 1665 B18R2.3701 Clc1nc(cs1)CNCCOc2ccccc2 2230a_100000174943_100000024076 [0,1,1,0,0,0|2,0,0]=4 1666 B18R2.3701 Clc1nc(cs1)CNCCOc2ccccc2 270004a_100000174943_100011935135 [0,1,1,0,0,0|2,0,0]=4 1667 B18R2.3701 Clc1nc(cs1)CNCCOc2ccccc2 34a_100000174943_100000024076 [0,1,1,0,0,0|2,0,0]=4 1668 B18R2.3701 Clc1nc(cs1)CNCCSc2ccccc2 2230a_100000189519_100000024076 [0,1,1,0,0,0|2,0,0]=4 1669 B18R2.3701 Clc1nc(cs1)CNCCSc2ccccc2 270004a_100000189519_100011935135 [0,1,1,0,0,0|2,0,0]=4 1670 B18R2.3701 Clc1nc(cs1)COCCCc2ccccc2 34a_100000210828_100000024076 [0,1,1,0,0,0|2,0,0]=4 1671 B18R2.3701 Clc1nc(cs1)COCCCc2ccccc2 7a_100000210828_100000024076 [0,1,1,0,0,0|2,0,0]=4 1672 B18R2.3701 Clc1nc(cs1)CSCCCc2ccccc2 62a_100000024076_100000211621 [0,1,1,0,0,0|2,0,0]=4 1673 B18R2.3701 Clc1nc(cs1)CSCCCc2ccccc2 62a_100000211621_100000024076 [0,1,1,0,0,0|2,0,0]=4 1674 B18R2.3701 Clc1nc(ns1)CNCCCc2ccccc2 2230a_100000211184_100000043760 [0,1,1,0,0,0|2,0,0]=4 1675 B18R2.3701 Clc1nc(ns1)CNCCCc2ccccc2 34a_100000211184_100000043760 [0,1,1,0,0,0|2,0,0]=4 1676 B18R2.3701 Clc1ncc(s1)CNCCCc2ccccc2 2230a_100000211184_100000058068 [0,1,1,0,0,0|1,0,1]=4 1677 B18R2.3701 Clc1ncc(s1)CNCCCc2ccccc2 2230a_100000726635_100000211621 [0,1,1,0,0,0|1,0,1]=4 1678 B18R2.3701 Clc1ncc(s1)CNCCCc2ccccc2 270004a_100000211184_100000696999 [0,1,1,0,0,0|1,0,1]=4 1679 B18R2.3701 Clc1ncc(s1)CNCCCc2ccccc2 34a_100000211184_100000058068 [0,1,1,0,0,0|1,0,1]=4 1680 B18R2.3701 Cn1cc(cn1)CNCCCc2ccccc2 207a_100000211184_100000206001 [0,1,1,0,0,0|2,0,0]=4 1681 B18R2.3701 Cn1cc(cn1)CNCCCc2ccccc2 2230a_100000211184_100000744441 [0,1,1,0,0,0|2,0,0]=4 1682 B18R2.3701 Cn1cc(cn1)CNCCCc2ccccc2 270004a_100000211184_100000206001 [0,1,1,0,0,0|2,0,0]=4 1683 B18R2.3701 Cn1cc(cn1)CNCCCc2ccccc2 34a_100000211184_100000744441 [0,1,1,0,0,0|2,0,0]=4 1684 B18R2.3701 Cn1cc(cn1)CNCCCc2ccccc2 34a_100000744365_100000211621 [0,1,1,0,0,0|2,0,0]=4 1685 B18R2.3701 Cn1cc(nn1)CNCCCc2ccccc2 207a_100000211184_100000749909 [0,1,1,0,0,0|1,0,0]=3 1686 B18R2.3701 Cn1cc(nn1)CNCCCc2ccccc2 270004a_100000211184_100000749909 [0,1,1,0,0,0|1,0,0]=3 1687 B18R2.3701 Cn1cc(nn1)CNCCCc2ccccn2 207a_100000689020_100000749909 [0,1,1,0,0,0|2,0,0]=4 1688 B18R2.3701 Cn1cc(nn1)CNCCCc2ccccn2 270004a_100000689020_100000749909 [0,1,1,0,0,0|2,0,0]=4 1689 B18R2.3701 Cn1cc(nn1)CNCCCc2cccnc2 207a_100011532358_100000749909 [0,1,1,0,0,0|2,0,0]=4 1690 B18R2.3701 Cn1cc(nn1)CNCCCc2cccnc2 270004a_100011532358_100000749909 [0,1,1,0,0,0|2,0,0]=4 1691 B18R2.3701 Cn1cc(nn1)CNCCCc2ccncc2 207a_100011275580_100000749909 [0,1,1,0,0,0|2,0,0]=4 1692 B18R2.3701 Cn1cc(nn1)CNCCCc2ccncc2 270004a_100011275580_100000749909 [0,1,1,0,0,0|2,0,0]=4 1693 B18R2.3701 Cn1cc(nn1)CNCCOc2ccccc2 207a_100000174943_100000749909 [0,1,1,0,0,0|2,0,0]=4 1694 B18R2.3701 Cn1cc(nn1)CNCCOc2ccccc2 270004a_100000174943_100000749909 [0,1,1,0,0,0|2,0,0]=4 1695 B18R2.3701 Cn1cc(nn1)CNCCSc2ccccc2 207a_100000189519_100000749909 [0,1,1,0,0,0|2,0,0]=4 1696 B18R2.3701 Cn1cc(nn1)CNCCSc2ccccc2 270004a_100000189519_100000749909 [0,1,1,0,0,0|2,0,0]=4 1697 B18R2.3701 Cn1ccc(n1)CNCCCc2ccccc2 207a_100000211184_100000750880 [0,1,1,0,0,0|2,0,0]=4 1698 B18R2.3701 Cn1ccc(n1)CNCCCc2ccccc2 2230a_100000211184_100000726502 [0,1,1,0,0,0|2,0,0]=4 1699 B18R2.3701 Cn1ccc(n1)CNCCCc2ccccc2 2230a_100020636201_100000211621 [0,1,1,0,0,0|2,0,0]=4 1700 B18R2.3701 Cn1ccc(n1)CNCCCc2ccccc2 270004a_100000211184_100000750880 [0,1,1,0,0,0|2,0,0]=4 1701 B18R2.3701 Cn1ccc(n1)CNCCCc2ccccc2 34a_100000211184_100000726502 [0,1,1,0,0,0|2,0,0]=4 1702 B18R2.3701 Cn1ccc(n1)CNCCCc2ccccc2 34a_100020636201_100000211621 [0,1,1,0,0,0|2,0,0]=4 1703 B18R2.3701 Cn1cnc(c1)CNC/C=C/c2ccccc2 2230a_100020603302_100000717665 [0,1,1,0,0,0|0,0,2]=4 1704 B18R2.3701 Cn1cnc(c1)CNC/C=C/c2ccccc2 270004a_100020603302_100000684808 [0,1,1,0,0,0|0,0,2]=4 1705 B18R2.3701 Cn1cnc(c1)CNC/C=C/c2ccccc2 34a_100020603302_100000717665 [0,1,1,0,0,0|0,0,2]=4 1706 B18R2.3701 Cn1cnc(c1)CNCC#Cc2ccccc2 34a_100000735379_100000717665 [0,1,1,0,0,0|0,0,2]=4 1707 B18R2.3701 Cn1cnc(c1)CNCC=Cc2ccccc2 270004a_100011834058_100000210105 [0,1,1,0,0,0|0,0,2]=4 1708 B18R2.3701 Cn1cnc(c1)CNCCCc2ccccc2 207a_100000211184_100000684808 [0,1,1,0,0,0|0,0,0]=2 1709 B18R2.3701 Cn1cnc(c1)CNCCCc2ccccc2 2230a_100000211184_100000717665 [0,1,1,0,0,0|0,0,0]=2 1710 B18R2.3701 Cn1cnc(c1)CNCCCc2ccccc2 270004a_100000211184_100000684808 [0,1,1,0,0,0|0,0,0]=2 1711 B18R2.3701 Cn1cnc(c1)CNCCCc2ccccc2 34a_100000211184_100000717665 [0,1,1,0,0,0|0,0,0]=2 1712 B18R2.3701 Cn1cnc(c1)CNCCCc2ccccn2 207a_100000689020_100000684808 [0,1,1,0,0,0|1,0,0]=3 1713 B18R2.3701 Cn1cnc(c1)CNCCCc2ccccn2 270004a_100000689020_100000684808 [0,1,1,0,0,0|1,0,0]=3 1714 B18R2.3701 Cn1cnc(c1)CNCCCc2cccnc2 207a_100011532358_100000684808 [0,1,1,0,0,0|1,0,0]=3 1715 B18R2.3701 Cn1cnc(c1)CNCCCc2cccnc2 2230a_100011532358_100000717665 [0,1,1,0,0,0|1,0,0]=3 1716 B18R2.3701 Cn1cnc(c1)CNCCCc2cccnc2 270004a_100011532358_100000684808 [0,1,1,0,0,0|1,0,0]=3 1717 B18R2.3701 Cn1cnc(c1)CNCCCc2cccnc2 34a_100011532358_100000717665 [0,1,1,0,0,0|1,0,0]=3 1718 B18R2.3701 Cn1cnc(c1)CNCCCc2ccncc2 207a_100011275580_100000684808 [0,1,1,0,0,0|1,0,0]=3 1719 B18R2.3701 Cn1cnc(c1)CNCCCc2ccncc2 2230a_100011275580_100000717665 [0,1,1,0,0,0|1,0,0]=3 1720 B18R2.3701 Cn1cnc(c1)CNCCCc2ccncc2 270004a_100011275580_100000684808 [0,1,1,0,0,0|1,0,0]=3 1721 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccc2 207a_100000174943_100000684808 [0,1,1,0,0,0|1,0,0]=3 1722 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccc2 2230a_100000174943_100000717665 [0,1,1,0,0,0|1,0,0]=3 1723 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccc2 270004a_100000174943_100000684808 [0,1,1,0,0,0|1,0,0]=3 1724 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccc2 270004a_100011834058_100000758736 [0,1,1,0,0,0|1,0,0]=3 1725 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccc2 34a_100000174943_100000717665 [0,1,1,0,0,0|1,0,0]=3 1726 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccn2 207a_106741647558_100000684808 [0,1,1,0,0,0|2,0,0]=4 1727 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccn2 2230a_106741647558_100000717665 [0,1,1,0,0,0|2,0,0]=4 1728 B18R2.3701 Cn1cnc(c1)CNCCOc2ccccn2 270004a_106741647558_100000684808 [0,1,1,0,0,0|2,0,0]=4 1729 B18R2.3701 Cn1cnc(c1)CNCCOc2cccnc2 207a_100000754688_100000684808 [0,1,1,0,0,0|2,0,0]=4 1730 B18R2.3701 Cn1cnc(c1)CNCCOc2cccnc2 2230a_100000754688_100000717665 [0,1,1,0,0,0|2,0,0]=4 1731 B18R2.3701 Cn1cnc(c1)CNCCOc2cccnc2 270004a_100000754688_100000684808 [0,1,1,0,0,0|2,0,0]=4 1732 B18R2.3701 Cn1cnc(c1)CNCCOc2ccncc2 207a_100025717301_100000684808 [0,1,1,0,0,0|2,0,0]=4 1733 B18R2.3701 Cn1cnc(c1)CNCCOc2ccncc2 270004a_100025717301_100000684808 [0,1,1,0,0,0|2,0,0]=4 1734 B18R2.3701 Cn1cnc(c1)CNCCSc2ccccc2 207a_100000189519_100000684808 [0,1,1,0,0,0|1,0,0]=3 1735 B18R2.3701 Cn1cnc(c1)CNCCSc2ccccc2 2230a_100000189519_100000717665 [0,1,1,0,0,0|1,0,0]=3 1736 B18R2.3701 Cn1cnc(c1)CNCCSc2ccccc2 270004a_100000189519_100000684808 [0,1,1,0,0,0|1,0,0]=3 1737 B18R2.3701 Cn1cnc(c1)COCCCc2ccccc2 34a_100000210828_100000717665 [0,1,1,0,0,0|1,0,0]=3 1738 B18R2.3701 Cn1cnc(c1)COCCCc2ccccc2 34a_100000710007_100000211621 [0,1,1,0,0,0|1,0,0]=3 1739 B18R2.3701 Cn1cnc(c1)COCCCc2ccccc2 7a_100000210828_100000717665 [0,1,1,0,0,0|1,0,0]=3 1740 B18R2.3701 Cn1cnc(c1)COCCCc2ccccn2 34a_100011215068_100000717665 [0,1,1,0,0,0|2,0,0]=4 1741 B18R2.3701 Cn1cnc(c1)COCCCc2cccnc2 34a_100000211284_100000717665 [0,1,1,0,0,0|2,0,0]=4 1742 B18R2.3701 Cn1cnc(c1)COCCCc2ccncc2 34a_100000210659_100000717665 [0,1,1,0,0,0|2,0,0]=4 1743 B18R2.3701 Cn1cnc(c1)COCCNc2ccccc2 34a_100000211345_100000717665 [0,1,1,0,0,0|2,0,0]=4 1744 B18R2.3701 Cn1cnc(c1)COCCOc2ccccc2 34a_100000210260_100000717665 [0,1,1,0,0,0|2,0,0]=4 1745 B18R2.3701 Cn1cnc(c1)COCCOc2ccccc2 34a_100000710007_100000184471 [0,1,1,0,0,0|2,0,0]=4 1746 B18R2.3701 Cn1cnc(c1)COCCOc2ccccc2 7a_100000210260_100000717665 [0,1,1,0,0,0|2,0,0]=4 1747 B18R2.3701 Cn1cnc(c1)COCCSc2ccccc2 34a_100000710007_100000246102 [0,1,1,0,0,0|2,0,0]=4 1748 B18R2.3701 Cn1cnc(c1)COCCSc2ccccc2 7a_100000230494_100000717665 [0,1,1,0,0,0|2,0,0]=4 1749 B18R2.3701 Cn1cnc(c1)COCOCc2ccccc2 34a_100000710007_100000763385 [0,1,1,0,0,0|2,0,0]=4 1750 B18R2.3701 Cn1cnc(c1)COCSCc2ccccc2 34a_100000710007_200011217039 [0,1,1,0,0,0|2,0,0]=4 1751 B18R2.3701 Cn1cnc(c1)CSCCCc2ccccc2 62a_100000211621_100000717665 [0,1,1,0,0,0|1,0,0]=3 1752 B18R2.3701 Cn1cnc(c1)CSCCCc2ccccc2 62a_100000717665_100000211621 [0,1,1,0,0,0|1,0,0]=3 1753 B18R2.3701 Cn1cnc(c1)CSCCOc2ccccc2 62a_100000184471_100000717665 [0,1,1,0,0,0|2,0,0]=4 1754 B18R2.3701 Cn1cnc(c1)CSCCOc2ccccc2 62a_100000717665_100000184471 [0,1,1,0,0,0|2,0,0]=4 1755 B18R2.3701 Cn1cnc(c1)CSCCSc2ccccc2 62a_100000246102_100000717665 [0,1,1,0,0,0|2,0,0]=4 1756 B18R2.3701 Cn1cnc(c1)CSCCSc2ccccc2 62a_100000717665_100000246102 [0,1,1,0,0,0|2,0,0]=4 1757 B18R2.3701 Cn1cnc(c1)CSCOCc2ccccc2 62a_100000717665_100000763385 [0,1,1,0,0,0|2,0,0]=4 1758 B18R2.3701 Cn1cnc(c1)CSCOCc2ccccc2 62a_100000763385_100000717665 [0,1,1,0,0,0|2,0,0]=4 1759 B18R2.3701 Cn1cnc(c1)CSCSCc2ccccc2 62a_100000717665_200011217039 [0,1,1,0,0,0|2,0,0]=4 1760 B18R2.3701 Cn1cnc(c1)CSCSCc2ccccc2 62a_200011217039_100000717665 [0,1,1,0,0,0|2,0,0]=4 1761 B18R2.3701 Cn1cnc(c1)SCCCCc2ccccc2 62a_100000040308_100000701786 [0,1,1,0,0,0|2,0,0]=4 1762 B18R2.3701 Cn1cnc(c1)SCCCCc2ccccc2 62a_100000701786_100000040308 [0,1,1,0,0,0|2,0,0]=4 1763 B18R2.3701 Cn1cnc(n1)CNCCCc2ccccc2 207a_100000211184_100010630104 [0,1,1,0,0,0|1,0,0]=3 1764 B18R2.3701 Cn1cnc(n1)CNCCCc2ccccc2 2230a_100000211184_100016995526 [0,1,1,0,0,0|1,0,0]=3 1765 B18R2.3701 Cn1cnc(n1)CNCCCc2ccccc2 2230a_100000695864_100000211621 [0,1,1,0,0,0|1,0,0]=3 1766 B18R2.3701 Cn1cnc(n1)CNCCCc2ccccc2 270004a_100000211184_100010630104 [0,1,1,0,0,0|1,0,0]=3 1767 B18R2.3701 Cn1cnc(n1)CNCCCc2ccccc2 34a_100000211184_100016995526 [0,1,1,0,0,0|1,0,0]=3 1768 B18R2.3701 Cn1cnc(n1)CNCCCc2ccccn2 207a_100000689020_100010630104 [0,1,1,0,0,0|2,0,0]=4 1769 B18R2.3701 Cn1cnc(n1)CNCCCc2ccccn2 270004a_100000689020_100010630104 [0,1,1,0,0,0|2,0,0]=4 1770 B18R2.3701 Cn1cnc(n1)CNCCCc2cccnc2 207a_100011532358_100010630104 [0,1,1,0,0,0|2,0,0]=4 1771 B18R2.3701 Cn1cnc(n1)CNCCCc2cccnc2 2230a_100011532358_100016995526 [0,1,1,0,0,0|2,0,0]=4 1772 B18R2.3701 Cn1cnc(n1)CNCCCc2cccnc2 270004a_100011532358_100010630104 [0,1,1,0,0,0|2,0,0]=4 1773 B18R2.3701 Cn1cnc(n1)CNCCCc2cccnc2 34a_100011532358_100016995526 [0,1,1,0,0,0|2,0,0]=4 1774 B18R2.3701 Cn1cnc(n1)CNCCCc2ccncc2 207a_100011275580_100010630104 [0,1,1,0,0,0|2,0,0]=4 1775 B18R2.3701 Cn1cnc(n1)CNCCCc2ccncc2 2230a_100011275580_100016995526 [0,1,1,0,0,0|2,0,0]=4 1776 B18R2.3701 Cn1cnc(n1)CNCCCc2ccncc2 270004a_100011275580_100010630104 [0,1,1,0,0,0|2,0,0]=4 1777 B18R2.3701 Cn1cnc(n1)CNCCOc2ccccc2 207a_100000174943_100010630104 [0,1,1,0,0,0|2,0,0]=4 1778 B18R2.3701 Cn1cnc(n1)CNCCOc2ccccc2 2230a_100000174943_100016995526 [0,1,1,0,0,0|2,0,0]=4 1779 B18R2.3701 Cn1cnc(n1)CNCCOc2ccccc2 2230a_100000695864_100000184471 [0,1,1,0,0,0|2,0,0]=4 1780 B18R2.3701 Cn1cnc(n1)CNCCOc2ccccc2 270004a_100000174943_100010630104 [0,1,1,0,0,0|2,0,0]=4 1781 B18R2.3701 Cn1cnc(n1)CNCCOc2ccccc2 34a_100000174943_100016995526 [0,1,1,0,0,0|2,0,0]=4 1782 B18R2.3701 Cn1cnc(n1)CNCCSc2ccccc2 207a_100000189519_100010630104 [0,1,1,0,0,0|2,0,0]=4 1783 B18R2.3701 Cn1cnc(n1)CNCCSc2ccccc2 2230a_100000189519_100016995526 [0,1,1,0,0,0|2,0,0]=4 1784 B18R2.3701 Cn1cnc(n1)CNCCSc2ccccc2 2230a_100000695864_100000246102 [0,1,1,0,0,0|2,0,0]=4 1785 B18R2.3701 Cn1cnc(n1)CNCCSc2ccccc2 270004a_100000189519_100010630104 [0,1,1,0,0,0|2,0,0]=4 1786 B18R2.3701 Cn1cnc(n1)CNCOCc2ccccc2 2230a_100000695864_100000763385 [0,1,1,0,0,0|2,0,0]=4 1787 B18R2.3701 Cn1cnc(n1)CNCSCc2ccccc2 2230a_100000695864_200011217039 [0,1,1,0,0,0|2,0,0]=4 1788 B18R2.3701 Cn1cnc(n1)COCCCc2ccccc2 34a_100000210828_100016995526 [0,1,1,0,0,0|2,0,0]=4 1789 B18R2.3701 Cn1cnc(n1)COCCCc2ccccc2 7a_100000210828_100016995526 [0,1,1,0,0,0|2,0,0]=4 1790 B18R2.3701 Cn1cnc(n1)CSCCCc2ccccc2 62a_100000211621_100016995526 [0,1,1,0,0,0|2,0,0]=4 1791 B18R2.3701 Cn1cnc(n1)CSCCCc2ccccc2 62a_100016995526_100000211621 [0,1,1,0,0,0|2,0,0]=4 1792 B18R2.3701 Ic1ccc(o1)CNCCCc2ccccc2 207a_100000211184_100000186757 [0,1,1,0,0,0|2,0,0]=4 1793 B18R2.3701 Ic1csc(c1)CNCCCc2ccccc2 207a_100000211184_100010179861 [0,1,1,0,0,0|2,0,0]=4 1794 B18R2.3701 O=c1[nH]nc([nH]1)CNCCCc2ccccc2 2230a_100000211184_100000754189 [0,1,1,0,0,0|1,0,1]=4 1795 B18R2.3701 O=c1[nH]nc([nH]1)CNCCCc2ccccc2 2230a_100000766346_100000211621 [0,1,1,0,0,0|1,0,1]=4 1796 B18R2.3899 Brc1cccc(c1)CCCNCc2c[nH]cn2 2230a_100000753791_100000707719 [0,1,1,0,0,0|0,0,0]=2 1797 B18R2.3899 Brc1cccc(c1)CCCNCc2c[nH]cn2 34a_100000753791_100000707719 [0,1,1,0,0,0|0,0,0]=2 1798 B18R2.3899 Brc1cccc(c1)CCCNCc2cc[nH]n2 207a_100000753791_100000738523 [0,1,1,0,0,0|2,0,0]=4 1799 B18R2.3899 Brc1cccc(c1)CCCNCc2cc[nH]n2 270004a_100000753791_100000738523 [0,1,1,0,0,0|2,0,0]=4 1800 B18R2.3899 Brc1cccc(c1)CCCNCc2ccco2 207a_100000753791_100000186105 [0,1,1,0,0,0|2,0,0]=4 1801 B18R2.3899 Brc1cccc(c1)CCCNCc2ccco2 2230a_100000185738_100011713683 [0,1,1,0,0,0|2,0,0]=4 1802 B18R2.3899 Brc1cccc(c1)CCCNCc2ccco2 270004a_100000753791_100000186105 [0,1,1,0,0,0|2,0,0]=4 1803 B18R2.3899 Brc1cccc(c1)CCCNCc2ccco2 34a_100000185738_100011713683 [0,1,1,0,0,0|2,0,0]=4 1804 B18R2.3899 Brc1cccc(c1)CCCNCc2cccs2 207a_100000753791_100000209959 [0,1,1,0,0,0|2,0,0]=4 1805 B18R2.3899 Brc1cccc(c1)CCCNCc2cccs2 2230a_100000211653_100011713683 [0,1,1,0,0,0|2,0,0]=4 1806 B18R2.3899 Brc1cccc(c1)CCCNCc2cccs2 270004a_100000753791_100000209959 [0,1,1,0,0,0|2,0,0]=4 1807 B18R2.3899 Brc1cccc(c1)CCCNCc2ccoc2 207a_100000753791_100011215517 [0,1,1,0,0,0|2,0,0]=4 1808 B18R2.3899 Brc1cccc(c1)CCCNCc2ccoc2 2230a_100015206860_100011713683 [0,1,1,0,0,0|2,0,0]=4 1809 B18R2.3899 Brc1cccc(c1)CCCNCc2ccoc2 270004a_100000753791_100011215517 [0,1,1,0,0,0|2,0,0]=4 1810 B18R2.3899 Brc1cccc(c1)CCCNCc2ccoc2 34a_100015206860_100011713683 [0,1,1,0,0,0|2,0,0]=4 1811 B18R2.3899 Brc1cccc(c1)CCCNCc2ccon2 2230a_100000753791_100000234950 [0,1,1,0,0,0|2,0,0]=4 1812 B18R2.3899 Brc1cccc(c1)CCCNCc2ccon2 34a_100000753791_100000234950 [0,1,1,0,0,0|2,0,0]=4 1813 B18R2.3899 Brc1cccc(c1)CCCNCc2ccsc2 207a_100000753791_100000188534 [0,1,1,0,0,0|2,0,0]=4 1814 B18R2.3899 Brc1cccc(c1)CCCNCc2ccsc2 2230a_100000186416_100011713683 [0,1,1,0,0,0|2,0,0]=4 1815 B18R2.3899 Brc1cccc(c1)CCCNCc2ccsc2 2230a_100000753791_100011261437 [0,1,1,0,0,0|2,0,0]=4 1816 B18R2.3899 Brc1cccc(c1)CCCNCc2ccsc2 270004a_100000753791_100000188534 [0,1,1,0,0,0|2,0,0]=4 1817 B18R2.3899 Brc1cccc(c1)CCCNCc2ccsc2 34a_100000186416_100011713683 [0,1,1,0,0,0|2,0,0]=4 1818 B18R2.3899 Brc1cccc(c1)CCCNCc2ccsc2 34a_100000753791_100011261437 [0,1,1,0,0,0|2,0,0]=4 1819 B18R2.3899 Brc1cccc(c1)CCCNCc2cn[nH]c2 207a_100000753791_100016992096 [0,1,1,0,0,0|2,0,0]=4 1820 B18R2.3899 Brc1cccc(c1)CCCNCc2cn[nH]c2 270004a_100000753791_100016992096 [0,1,1,0,0,0|2,0,0]=4 1821 B18R2.3899 Brc1cccc(c1)CCCNCc2cnc[nH]2 207a_100000753791_100000742939 [0,1,1,0,0,0|0,0,2]=4 1822 B18R2.3899 Brc1cccc(c1)CCCNCc2cnco2 270004a_100000753791_100000064291 [0,1,1,0,0,0|1,0,1]=4 1823 B18R2.3899 Brc1cccc(c1)CCCNCc2cncs2 207a_100000753791_100000749870 [0,1,1,0,0,0|1,0,1]=4 1824 B18R2.3899 Brc1cccc(c1)CCCNCc2cncs2 2230a_100000753791_100015185245 [0,1,1,0,0,0|1,0,1]=4 1825 B18R2.3899 Brc1cccc(c1)CCCNCc2cncs2 2230a_100016987365_100011713683 [0,1,1,0,0,0|1,0,1]=4 1826 B18R2.3899 Brc1cccc(c1)CCCNCc2cncs2 270004a_100000753791_100000749870 [0,1,1,0,0,0|1,0,1]=4 1827 B18R2.3899 Brc1cccc(c1)CCCNCc2cncs2 34a_100000753791_100015185245 [0,1,1,0,0,0|1,0,1]=4 1828 B18R2.3899 Brc1cccc(c1)CCCNCc2cocn2 270004a_100000753791_100000050382 [0,1,1,0,0,0|1,0,0]=3 1829 B18R2.3899 Brc1cccc(c1)CCCNCc2cscn2 207a_100000753791_100000743575 [0,1,1,0,0,0|1,0,0]=3 1830 B18R2.3899 Brc1cccc(c1)CCCNCc2cscn2 2230a_100000753791_100000205941 [0,1,1,0,0,0|1,0,0]=3 1831 B18R2.3899 Brc1cccc(c1)CCCNCc2cscn2 2230a_100015185402_100011713683 [0,1,1,0,0,0|1,0,0]=3 1832 B18R2.3899 Brc1cccc(c1)CCCNCc2cscn2 270004a_100000753791_100000743575 [0,1,1,0,0,0|1,0,0]=3 1833 B18R2.3899 Brc1cccc(c1)CCCNCc2cscn2 34a_100000753791_100000205941 [0,1,1,0,0,0|1,0,0]=3 1834 B18R2.3899 Brc1cccc(c1)CCCNCc2csnn2 270004a_100000753791_100000738508 [0,1,1,0,0,0|2,0,0]=4 1835 B18R2.3899 Brc1cccc(c1)CCCNCc2ncc[nH]2 207a_100000753791_100000743867 [0,1,1,0,0,0|2,0,0]=4 1836 B18R2.3899 Brc1cccc(c1)CCCNCc2ncc[nH]2 2230a_100000753791_100016991755 [0,1,1,0,0,0|2,0,0]=4 1837 B18R2.3899 Brc1cccc(c1)CCCNCc2ncc[nH]2 34a_100000753791_100016991755 [0,1,1,0,0,0|2,0,0]=4 1838 B18R2.3899 Brc1cccc(c1)CCCNCc2ncco2 2230a_100000753791_103436540062 [0,1,1,0,0,0|2,0,0]=4 1839 B18R2.3899 Brc1cccc(c1)CCCNCc2ncco2 2230a_100016994969_100011713683 [0,1,1,0,0,0|2,0,0]=4 1840 B18R2.3899 Brc1cccc(c1)CCCNCc2ncco2 270004a_100000753791_100000064290 [0,1,1,0,0,0|2,0,0]=4 1841 B18R2.3899 Brc1cccc(c1)CCCNCc2ncco2 34a_100000753791_103436540062 [0,1,1,0,0,0|2,0,0]=4 1842 B18R2.3899 Brc1cccc(c1)CCCNCc2nccs2 207a_100000753791_100000750902 [0,1,1,0,0,0|2,0,0]=4 1843 B18R2.3899 Brc1cccc(c1)CCCNCc2nccs2 2230a_100000740555_100011713683 [0,1,1,0,0,0|2,0,0]=4 1844 B18R2.3899 Brc1cccc(c1)CCCNCc2nccs2 2230a_100000753791_100015184050 [0,1,1,0,0,0|2,0,0]=4 1845 B18R2.3899 Brc1cccc(c1)CCCNCc2nccs2 270004a_100000753791_100000750902 [0,1,1,0,0,0|2,0,0]=4 1846 B18R2.3899 Brc1cccc(c1)CCCNCc2nccs2 34a_100000753791_100015184050 [0,1,1,0,0,0|2,0,0]=4 1847 B18R2.3899 Brc1cccc(c1)CCCNCc2ncon2 34a_100000753791_100000233494 [0,1,1,0,0,0|2,0,0]=4 1848 B18R2.3899 Brc1cccc(c1)CCCNCn2cncn2 2230a_100000753791_200020645497 [0,1,1,0,0,0|1,0,1]=4 1849 B18R2.3899 Brc1cccc(c1)CCCNCn2cncn2 34a_100000753791_200020645497 [0,1,1,0,0,0|1,0,1]=4 1850 B18R2.3899 Brc1cccc(c1)CCCOCc2c[nH]cn2 34a_100011709248_100000707719 [0,1,1,0,0,0|1,0,0]=3 1851 B18R2.3899 Brc1cccc(c1)CCCOCc2cscn2 34a_100011709248_100000205941 [0,1,1,0,0,0|2,0,0]=4 1852 B18R2.3899 Brc1cccc(c1)CCCOCc2cscn2 7a_100011709248_100000205941 [0,1,1,0,0,0|2,0,0]=4 1853 B18R2.3899 Brc1cccc(c1)CCCSCc2c[nH]cn2 62a_100000707719_100011713683 [0,1,1,0,0,0|1,0,0]=3 1854 B18R2.3899 Brc1cccc(c1)CCCSCc2c[nH]cn2 62a_100011713683_100000707719 [0,1,1,0,0,0|1,0,0]=3 1855 B18R2.3899 Brc1cccc(c1)CCCSCc2cscn2 62a_100000205941_100011713683 [0,1,1,0,0,0|2,0,0]=4 1856 B18R2.3899 Brc1cccc(c1)CCCSCc2cscn2 62a_100011713683_100000205941 [0,1,1,0,0,0|2,0,0]=4 1857 B18R2.3899 Brc1cccc(c1)CCNCCc2c[nH]cn2 2230a_100011207229_100020628418 [0,1,1,0,0,0|2,0,0]=4 1858 B18R2.3899 Brc1cccc(c1)CCOCCc2c[nH]cn2 7a_100011217444_100020628418 [0,1,1,0,0,0|2,0,0]=4 1859 B18R2.3899 Brc1cccc(c1)CCSCCc2c[nH]cn2 62a_100011740638_100020628418 [0,1,1,0,0,0|2,0,0]=4 1860 B18R2.3899 Brc1cccc(c1)CCSCCc2c[nH]cn2 62a_100020628418_100011740638 [0,1,1,0,0,0|2,0,0]=4 1861 B18R2.3899 Brc1cccc(c1)OCCNCc2c[nH]cn2 2230a_100000743521_100000707719 [0,1,1,0,0,0|1,0,0]=3 1862 B18R2.3899 Brc1cccc(c1)OCCNCc2c[nH]cn2 34a_100000743521_100000707719 [0,1,1,0,0,0|1,0,0]=3 1863 B18R2.3899 Brc1cccc(c1)OCCNCc2cocn2 270004a_100000743521_100000050382 [0,1,1,0,0,0|2,0,0]=4 1864 B18R2.3899 Brc1cccc(c1)OCCNCc2cscn2 207a_100000743521_100000743575 [0,1,1,0,0,0|2,0,0]=4 1865 B18R2.3899 Brc1cccc(c1)OCCNCc2cscn2 2230a_100000743521_100000205941 [0,1,1,0,0,0|2,0,0]=4 1866 B18R2.3899 Brc1cccc(c1)OCCNCc2cscn2 2230a_100015185402_100000183150 [0,1,1,0,0,0|2,0,0]=4 1867 B18R2.3899 Brc1cccc(c1)OCCNCc2cscn2 270004a_100000743521_100000743575 [0,1,1,0,0,0|2,0,0]=4 1868 B18R2.3899 Brc1cccc(c1)OCCNCc2cscn2 34a_100000743521_100000205941 [0,1,1,0,0,0|2,0,0]=4 1869 B18R2.3899 Brc1cccc(c1)OCCOCc2c[nH]cn2 34a_100000757546_100000707719 [0,1,1,0,0,0|2,0,0]=4 1870 B18R2.3899 Brc1cccc(c1)OCCSCc2c[nH]cn2 62a_100000183150_100000707719 [0,1,1,0,0,0|2,0,0]=4 1871 B18R2.3899 Brc1cccc(c1)OCCSCc2c[nH]cn2 62a_100000707719_100000183150 [0,1,1,0,0,0|2,0,0]=4 1872 B18R2.3899 Cc1cccc(c1)CCCNCc2c[nH]cn2 2230a_103496528808_100000707719 [0,1,1,0,0,0|0,0,0]=2 1873 B18R2.3899 Cc1cccc(c1)CCCNCc2c[nH]cn2 34a_103496528808_100000707719 [0,1,1,0,0,0|0,0,0]=2 1874 B18R2.3899 Cc1cccc(c1)CCCNCc2cc[nH]n2 207a_103496528808_100000738523 [0,1,1,0,0,0|2,0,0]=4 1875 B18R2.3899 Cc1cccc(c1)CCCNCc2cc[nH]n2 270004a_103496528808_100000738523 [0,1,1,0,0,0|2,0,0]=4 1876 B18R2.3899 Cc1cccc(c1)CCCNCc2ccco2 207a_103496528808_100000186105 [0,1,1,0,0,0|2,0,0]=4 1877 B18R2.3899 Cc1cccc(c1)CCCNCc2ccco2 270004a_103496528808_100000186105 [0,1,1,0,0,0|2,0,0]=4 1878 B18R2.3899 Cc1cccc(c1)CCCNCc2cccs2 207a_103496528808_100000209959 [0,1,1,0,0,0|2,0,0]=4 1879 B18R2.3899 Cc1cccc(c1)CCCNCc2cccs2 270004a_103496528808_100000209959 [0,1,1,0,0,0|2,0,0]=4 1880 B18R2.3899 Cc1cccc(c1)CCCNCc2ccoc2 207a_103496528808_100011215517 [0,1,1,0,0,0|2,0,0]=4 1881 B18R2.3899 Cc1cccc(c1)CCCNCc2ccoc2 270004a_103496528808_100011215517 [0,1,1,0,0,0|2,0,0]=4 1882 B18R2.3899 Cc1cccc(c1)CCCNCc2ccon2 2230a_103496528808_100000234950 [0,1,1,0,0,0|2,0,0]=4 1883 B18R2.3899 Cc1cccc(c1)CCCNCc2ccon2 34a_103496528808_100000234950 [0,1,1,0,0,0|2,0,0]=4 1884 B18R2.3899 Cc1cccc(c1)CCCNCc2ccsc2 207a_103496528808_100000188534 [0,1,1,0,0,0|2,0,0]=4 1885 B18R2.3899 Cc1cccc(c1)CCCNCc2ccsc2 2230a_103496528808_100011261437 [0,1,1,0,0,0|2,0,0]=4 1886 B18R2.3899 Cc1cccc(c1)CCCNCc2ccsc2 270004a_103496528808_100000188534 [0,1,1,0,0,0|2,0,0]=4 1887 B18R2.3899 Cc1cccc(c1)CCCNCc2ccsc2 34a_103496528808_100011261437 [0,1,1,0,0,0|2,0,0]=4 1888 B18R2.3899 Cc1cccc(c1)CCCNCc2cn[nH]c2 207a_103496528808_100016992096 [0,1,1,0,0,0|2,0,0]=4 1889 B18R2.3899 Cc1cccc(c1)CCCNCc2cn[nH]c2 270004a_103496528808_100016992096 [0,1,1,0,0,0|2,0,0]=4 1890 B18R2.3899 Cc1cccc(c1)CCCNCc2cnc[nH]2 207a_103496528808_100000742939 [0,1,1,0,0,0|0,0,2]=4 1891 B18R2.3899 Cc1cccc(c1)CCCNCc2cnco2 270004a_103496528808_100000064291 [0,1,1,0,0,0|1,0,1]=4 1892 B18R2.3899 Cc1cccc(c1)CCCNCc2cncs2 207a_103496528808_100000749870 [0,1,1,0,0,0|1,0,1]=4 1893 B18R2.3899 Cc1cccc(c1)CCCNCc2cncs2 2230a_103496528808_100015185245 [0,1,1,0,0,0|1,0,1]=4 1894 B18R2.3899 Cc1cccc(c1)CCCNCc2cncs2 270004a_103496528808_100000749870 [0,1,1,0,0,0|1,0,1]=4 1895 B18R2.3899 Cc1cccc(c1)CCCNCc2cncs2 34a_103496528808_100015185245 [0,1,1,0,0,0|1,0,1]=4 1896 B18R2.3899 Cc1cccc(c1)CCCNCc2cocn2 270004a_103496528808_100000050382 [0,1,1,0,0,0|1,0,0]=3 1897 B18R2.3899 Cc1cccc(c1)CCCNCc2cscn2 207a_103496528808_100000743575 [0,1,1,0,0,0|1,0,0]=3 1898 B18R2.3899 Cc1cccc(c1)CCCNCc2cscn2 2230a_103496528808_100000205941 [0,1,1,0,0,0|1,0,0]=3 1899 B18R2.3899 Cc1cccc(c1)CCCNCc2cscn2 270004a_103496528808_100000743575 [0,1,1,0,0,0|1,0,0]=3 1900 B18R2.3899 Cc1cccc(c1)CCCNCc2cscn2 34a_103496528808_100000205941 [0,1,1,0,0,0|1,0,0]=3 1901 B18R2.3899 Cc1cccc(c1)CCCNCc2csnn2 270004a_103496528808_100000738508 [0,1,1,0,0,0|2,0,0]=4 1902 B18R2.3899 Cc1cccc(c1)CCCNCc2ncc[nH]2 207a_103496528808_100000743867 [0,1,1,0,0,0|2,0,0]=4 1903 B18R2.3899 Cc1cccc(c1)CCCNCc2ncc[nH]2 2230a_103496528808_100016991755 [0,1,1,0,0,0|2,0,0]=4 1904 B18R2.3899 Cc1cccc(c1)CCCNCc2ncc[nH]2 34a_103496528808_100016991755 [0,1,1,0,0,0|2,0,0]=4 1905 B18R2.3899 Cc1cccc(c1)CCCNCc2ncco2 2230a_103496528808_103436540062 [0,1,1,0,0,0|2,0,0]=4 1906 B18R2.3899 Cc1cccc(c1)CCCNCc2ncco2 270004a_103496528808_100000064290 [0,1,1,0,0,0|2,0,0]=4 1907 B18R2.3899 Cc1cccc(c1)CCCNCc2ncco2 34a_103496528808_103436540062 [0,1,1,0,0,0|2,0,0]=4 1908 B18R2.3899 Cc1cccc(c1)CCCNCc2nccs2 207a_103496528808_100000750902 [0,1,1,0,0,0|2,0,0]=4 1909 B18R2.3899 Cc1cccc(c1)CCCNCc2nccs2 2230a_103496528808_100015184050 [0,1,1,0,0,0|2,0,0]=4 1910 B18R2.3899 Cc1cccc(c1)CCCNCc2nccs2 270004a_103496528808_100000750902 [0,1,1,0,0,0|2,0,0]=4 1911 B18R2.3899 Cc1cccc(c1)CCCNCc2nccs2 34a_103496528808_100015184050 [0,1,1,0,0,0|2,0,0]=4 1912 B18R2.3899 Cc1cccc(c1)CCCNCc2ncon2 34a_103496528808_100000233494 [0,1,1,0,0,0|2,0,0]=4 1913 B18R2.3899 Cc1cccc(c1)CCCNCn2cncn2 2230a_103496528808_200020645497 [0,1,1,0,0,0|1,0,1]=4 1914 B18R2.3899 Cc1cccc(c1)CCCNCn2cncn2 34a_103496528808_200020645497 [0,1,1,0,0,0|1,0,1]=4 1915 B18R2.3899 Cc1cccc(c1)CCNCCc2c[nH]cn2 2230a_100000749837_100020628418 [0,1,1,0,0,0|2,0,0]=4 1916 B18R2.3899 Cc1cccc(c1)CCOCCc2c[nH]cn2 7a_100011217157_100020628418 [0,1,1,0,0,0|2,0,0]=4 1917 B18R2.3899 Cc1cccc(c1)CCSCCc2c[nH]cn2 62a_100011713685_100020628418 [0,1,1,0,0,0|2,0,0]=4 1918 B18R2.3899 Cc1cccc(c1)CCSCCc2c[nH]cn2 62a_100020628418_100011713685 [0,1,1,0,0,0|2,0,0]=4 1919 B18R2.3899 Cc1cccc(c1)OCCNCc2c[nH]cn2 2230a_100015185188_100000707719 [0,1,1,0,0,0|1,0,0]=3 1920 B18R2.3899 Cc1cccc(c1)OCCNCc2c[nH]cn2 34a_100015185188_100000707719 [0,1,1,0,0,0|1,0,0]=3 1921 B18R2.3899 Cc1cccc(c1)OCCNCc2cocn2 270004a_100015185188_100000050382 [0,1,1,0,0,0|2,0,0]=4 1922 B18R2.3899 Cc1cccc(c1)OCCNCc2cscn2 207a_100015185188_100000743575 [0,1,1,0,0,0|2,0,0]=4 1923 B18R2.3899 Cc1cccc(c1)OCCNCc2cscn2 2230a_100015185188_100000205941 [0,1,1,0,0,0|2,0,0]=4 1924 B18R2.3899 Cc1cccc(c1)OCCNCc2cscn2 270004a_100015185188_100000743575 [0,1,1,0,0,0|2,0,0]=4 1925 B18R2.3899 Cc1cccc(c1)OCCNCc2cscn2 34a_100015185188_100000205941 [0,1,1,0,0,0|2,0,0]=4 1926 B18R2.3899 Cc1cccc(c1)OCCOCc2c[nH]cn2 34a_200011215094_100000707719 [0,1,1,0,0,0|2,0,0]=4 1927 B18R2.3899 Cc1cccc(c1)SCCOCc2c[nH]cn2 34a_200011432187_100000707719 [0,1,1,0,0,0|2,0,0]=4 1928 B18R2.3899 Cc1cccc(n1)CCCOCc2c[nH]cn2 34a_100000211354_100000707719 [0,1,1,0,0,0|2,0,0]=4 1929 B18R2.3899 Clc1cccc(c1)CCCNCc2c[nH]cn2 2230a_100000704586_100000707719 [0,1,1,0,0,0|0,0,0]=2 1930 B18R2.3899 Clc1cccc(c1)CCCNCc2c[nH]cn2 34a_100000704586_100000707719 [0,1,1,0,0,0|0,0,0]=2 1931 B18R2.3899 Clc1cccc(c1)CCCNCc2cc[nH]n2 207a_100000704586_100000738523 [0,1,1,0,0,0|2,0,0]=4 1932 B18R2.3899 Clc1cccc(c1)CCCNCc2cc[nH]n2 270004a_100000704586_100000738523 [0,1,1,0,0,0|2,0,0]=4 1933 B18R2.3899 Clc1cccc(c1)CCCNCc2ccco2 207a_100000704586_100000186105 [0,1,1,0,0,0|2,0,0]=4 1934 B18R2.3899 Clc1cccc(c1)CCCNCc2ccco2 270004a_100000704586_100000186105 [0,1,1,0,0,0|2,0,0]=4 1935 B18R2.3899 Clc1cccc(c1)CCCNCc2cccs2 207a_100000704586_100000209959 [0,1,1,0,0,0|2,0,0]=4 1936 B18R2.3899 Clc1cccc(c1)CCCNCc2cccs2 270004a_100000704586_100000209959 [0,1,1,0,0,0|2,0,0]=4 1937 B18R2.3899 Clc1cccc(c1)CCCNCc2ccoc2 207a_100000704586_100011215517 [0,1,1,0,0,0|2,0,0]=4 1938 B18R2.3899 Clc1cccc(c1)CCCNCc2ccoc2 270004a_100000704586_100011215517 [0,1,1,0,0,0|2,0,0]=4 1939 B18R2.3899 Clc1cccc(c1)CCCNCc2ccon2 2230a_100000704586_100000234950 [0,1,1,0,0,0|2,0,0]=4 1940 B18R2.3899 Clc1cccc(c1)CCCNCc2ccon2 34a_100000704586_100000234950 [0,1,1,0,0,0|2,0,0]=4 1941 B18R2.3899 Clc1cccc(c1)CCCNCc2ccsc2 207a_100000704586_100000188534 [0,1,1,0,0,0|2,0,0]=4 1942 B18R2.3899 Clc1cccc(c1)CCCNCc2ccsc2 2230a_100000704586_100011261437 [0,1,1,0,0,0|2,0,0]=4 1943 B18R2.3899 Clc1cccc(c1)CCCNCc2ccsc2 270004a_100000704586_100000188534 [0,1,1,0,0,0|2,0,0]=4 1944 B18R2.3899 Clc1cccc(c1)CCCNCc2ccsc2 34a_100000704586_100011261437 [0,1,1,0,0,0|2,0,0]=4 1945 B18R2.3899 Clc1cccc(c1)CCCNCc2cn[nH]c2 207a_100000704586_100016992096 [0,1,1,0,0,0|2,0,0]=4 1946 B18R2.3899 Clc1cccc(c1)CCCNCc2cn[nH]c2 270004a_100000704586_100016992096 [0,1,1,0,0,0|2,0,0]=4 1947 B18R2.3899 Clc1cccc(c1)CCCNCc2cnc[nH]2 207a_100000704586_100000742939 [0,1,1,0,0,0|0,0,2]=4 1948 B18R2.3899 Clc1cccc(c1)CCCNCc2cnco2 270004a_100000704586_100000064291 [0,1,1,0,0,0|1,0,1]=4 1949 B18R2.3899 Clc1cccc(c1)CCCNCc2cncs2 207a_100000704586_100000749870 [0,1,1,0,0,0|1,0,1]=4 1950 B18R2.3899 Clc1cccc(c1)CCCNCc2cncs2 2230a_100000704586_100015185245 [0,1,1,0,0,0|1,0,1]=4 1951 B18R2.3899 Clc1cccc(c1)CCCNCc2cncs2 270004a_100000704586_100000749870 [0,1,1,0,0,0|1,0,1]=4 1952 B18R2.3899 Clc1cccc(c1)CCCNCc2cncs2 34a_100000704586_100015185245 [0,1,1,0,0,0|1,0,1]=4 1953 B18R2.3899 Clc1cccc(c1)CCCNCc2cocn2 270004a_100000704586_100000050382 [0,1,1,0,0,0|1,0,0]=3 1954 B18R2.3899 Clc1cccc(c1)CCCNCc2cscn2 207a_100000704586_100000743575 [0,1,1,0,0,0|1,0,0]=3 1955 B18R2.3899 Clc1cccc(c1)CCCNCc2cscn2 2230a_100000704586_100000205941 [0,1,1,0,0,0|1,0,0]=3 1956 B18R2.3899 Clc1cccc(c1)CCCNCc2cscn2 270004a_100000704586_100000743575 [0,1,1,0,0,0|1,0,0]=3 1957 B18R2.3899 Clc1cccc(c1)CCCNCc2cscn2 34a_100000704586_100000205941 [0,1,1,0,0,0|1,0,0]=3 1958 B18R2.3899 Clc1cccc(c1)CCCNCc2csnn2 270004a_100000704586_100000738508 [0,1,1,0,0,0|2,0,0]=4 1959 B18R2.3899 Clc1cccc(c1)CCCNCc2ncc[nH]2 207a_100000704586_100000743867 [0,1,1,0,0,0|2,0,0]=4 1960 B18R2.3899 Clc1cccc(c1)CCCNCc2ncc[nH]2 2230a_100000704586_100016991755 [0,1,1,0,0,0|2,0,0]=4 1961 B18R2.3899 Clc1cccc(c1)CCCNCc2ncc[nH]2 34a_100000704586_100016991755 [0,1,1,0,0,0|2,0,0]=4 1962 B18R2.3899 Clc1cccc(c1)CCCNCc2ncco2 2230a_100000704586_103436540062 [0,1,1,0,0,0|2,0,0]=4 1963 B18R2.3899 Clc1cccc(c1)CCCNCc2ncco2 270004a_100000704586_100000064290 [0,1,1,0,0,0|2,0,0]=4 1964 B18R2.3899 Clc1cccc(c1)CCCNCc2ncco2 34a_100000704586_103436540062 [0,1,1,0,0,0|2,0,0]=4 1965 B18R2.3899 Clc1cccc(c1)CCCNCc2nccs2 207a_100000704586_100000750902 [0,1,1,0,0,0|2,0,0]=4 1966 B18R2.3899 Clc1cccc(c1)CCCNCc2nccs2 2230a_100000704586_100015184050 [0,1,1,0,0,0|2,0,0]=4 1967 B18R2.3899 Clc1cccc(c1)CCCNCc2nccs2 270004a_100000704586_100000750902 [0,1,1,0,0,0|2,0,0]=4 1968 B18R2.3899 Clc1cccc(c1)CCCNCc2nccs2 34a_100000704586_100015184050 [0,1,1,0,0,0|2,0,0]=4 1969 B18R2.3899 Clc1cccc(c1)CCCNCc2ncon2 34a_100000704586_100000233494 [0,1,1,0,0,0|2,0,0]=4 1970 B18R2.3899 Clc1cccc(c1)CCCNCn2cncn2 2230a_100000704586_200020645497 [0,1,1,0,0,0|1,0,1]=4 1971 B18R2.3899 Clc1cccc(c1)CCCNCn2cncn2 34a_100000704586_200020645497 [0,1,1,0,0,0|1,0,1]=4 1972 B18R2.3899 Clc1cccc(c1)CCCOCc2c[nH]cn2 34a_100011709246_100000707719 [0,1,1,0,0,0|1,0,0]=3 1973 B18R2.3899 Clc1cccc(c1)CCCOCc2cscn2 34a_100011709246_100000205941 [0,1,1,0,0,0|2,0,0]=4 1974 B18R2.3899 Clc1cccc(c1)CCCOCc2cscn2 7a_100011709246_100000205941 [0,1,1,0,0,0|2,0,0]=4 1975 B18R2.3899 Clc1cccc(c1)CCNCCc2c[nH]cn2 2230a_100000185263_100020628418 [0,1,1,0,0,0|2,0,0]=4 1976 B18R2.3899 Clc1cccc(c1)CCOCCc2c[nH]cn2 7a_100000754733_100020628418 [0,1,1,0,0,0|2,0,0]=4 1977 B18R2.3899 Clc1cccc(c1)CCSCCc2c[nH]cn2 62a_100011713710_100020628418 [0,1,1,0,0,0|2,0,0]=4 1978 B18R2.3899 Clc1cccc(c1)CCSCCc2c[nH]cn2 62a_100020628418_100011713710 [0,1,1,0,0,0|2,0,0]=4 1979 B18R2.3899 Clc1cccc(c1)OCCNCc2c[nH]cn2 2230a_100000740232_100000707719 [0,1,1,0,0,0|1,0,0]=3 1980 B18R2.3899 Clc1cccc(c1)OCCNCc2c[nH]cn2 34a_100000740232_100000707719 [0,1,1,0,0,0|1,0,0]=3 1981 B18R2.3899 Clc1cccc(c1)OCCNCc2cocn2 270004a_100000740232_100000050382 [0,1,1,0,0,0|2,0,0]=4 1982 B18R2.3899 Clc1cccc(c1)OCCNCc2cscn2 207a_100000740232_100000743575 [0,1,1,0,0,0|2,0,0]=4 1983 B18R2.3899 Clc1cccc(c1)OCCNCc2cscn2 2230a_100000740232_100000205941 [0,1,1,0,0,0|2,0,0]=4 1984 B18R2.3899 Clc1cccc(c1)OCCNCc2cscn2 2230a_100015185402_100000181161 [0,1,1,0,0,0|2,0,0]=4 1985 B18R2.3899 Clc1cccc(c1)OCCNCc2cscn2 270004a_100000740232_100000743575 [0,1,1,0,0,0|2,0,0]=4 1986 B18R2.3899 Clc1cccc(c1)OCCNCc2cscn2 34a_100000740232_100000205941 [0,1,1,0,0,0|2,0,0]=4 1987 B18R2.3899 Clc1cccc(c1)OCCOCc2c[nH]cn2 34a_100000230539_100000707719 [0,1,1,0,0,0|2,0,0]=4 1988 B18R2.3899 Clc1cccc(c1)OCCSCc2c[nH]cn2 62a_100000181161_100000707719 [0,1,1,0,0,0|2,0,0]=4 1989 B18R2.3899 Clc1cccc(c1)OCCSCc2c[nH]cn2 62a_100000707719_100000181161 [0,1,1,0,0,0|2,0,0]=4 1990 B18R2.3899 Clc1cccc(c1)SCCOCc2c[nH]cn2 34a_200011721761_100000707719 [0,1,1,0,0,0|2,0,0]=4 1991 B18R2.3899 Fc1cccc(c1)CCCNCc2c[nH]cn2 2230a_100000754185_100000707719 [0,1,1,0,0,0|0,0,0]=2 1992 B18R2.3899 Fc1cccc(c1)CCCNCc2c[nH]cn2 34a_100000754185_100000707719 [0,1,1,0,0,0|0,0,0]=2 1993 B18R2.3899 Fc1cccc(c1)CCCNCc2cc[nH]n2 207a_100000754185_100000738523 [0,1,1,0,0,0|2,0,0]=4 1994 B18R2.3899 Fc1cccc(c1)CCCNCc2cc[nH]n2 270004a_100000754185_100000738523 [0,1,1,0,0,0|2,0,0]=4 1995 B18R2.3899 Fc1cccc(c1)CCCNCc2ccco2 207a_100000754185_100000186105 [0,1,1,0,0,0|2,0,0]=4 1996 B18R2.3899 Fc1cccc(c1)CCCNCc2ccco2 2230a_100000185738_200000698031 [0,1,1,0,0,0|2,0,0]=4 1997 B18R2.3899 Fc1cccc(c1)CCCNCc2ccco2 270004a_100000754185_100000186105 [0,1,1,0,0,0|2,0,0]=4 1998 B18R2.3899 Fc1cccc(c1)CCCNCc2ccco2 34a_100000185738_200000698031 [0,1,1,0,0,0|2,0,0]=4 1999 B18R2.3899 Fc1cccc(c1)CCCNCc2cccs2 207a_100000754185_100000209959 [0,1,1,0,0,0|2,0,0]=4 2000 B18R2.3899 Fc1cccc(c1)CCCNCc2cccs2 2230a_100000211653_200000698031 [0,1,1,0,0,0|2,0,0]=4 2001 B18R2.3899 Fc1cccc(c1)CCCNCc2cccs2 270004a_100000754185_100000209959 [0,1,1,0,0,0|2,0,0]=4 2002 B18R2.3899 Fc1cccc(c1)CCCNCc2ccoc2 207a_100000754185_100011215517 [0,1,1,0,0,0|2,0,0]=4 2003 B18R2.3899 Fc1cccc(c1)CCCNCc2ccoc2 2230a_100015206860_200000698031 [0,1,1,0,0,0|2,0,0]=4 2004 B18R2.3899 Fc1cccc(c1)CCCNCc2ccoc2 270004a_100000754185_100011215517 [0,1,1,0,0,0|2,0,0]=4 2005 B18R2.3899 Fc1cccc(c1)CCCNCc2ccoc2 34a_100015206860_200000698031 [0,1,1,0,0,0|2,0,0]=4 2006 B18R2.3899 Fc1cccc(c1)CCCNCc2ccon2 2230a_100000754185_100000234950 [0,1,1,0,0,0|2,0,0]=4 2007 B18R2.3899 Fc1cccc(c1)CCCNCc2ccon2 34a_100000754185_100000234950 [0,1,1,0,0,0|2,0,0]=4 2008 B18R2.3899 Fc1cccc(c1)CCCNCc2ccsc2 207a_100000754185_100000188534 [0,1,1,0,0,0|2,0,0]=4 2009 B18R2.3899 Fc1cccc(c1)CCCNCc2ccsc2 2230a_100000186416_200000698031 [0,1,1,0,0,0|2,0,0]=4 2010 B18R2.3899 Fc1cccc(c1)CCCNCc2ccsc2 2230a_100000754185_100011261437 [0,1,1,0,0,0|2,0,0]=4 2011 B18R2.3899 Fc1cccc(c1)CCCNCc2ccsc2 270004a_100000754185_100000188534 [0,1,1,0,0,0|2,0,0]=4 2012 B18R2.3899 Fc1cccc(c1)CCCNCc2ccsc2 34a_100000186416_200000698031 [0,1,1,0,0,0|2,0,0]=4 2013 B18R2.3899 Fc1cccc(c1)CCCNCc2ccsc2 34a_100000754185_100011261437 [0,1,1,0,0,0|2,0,0]=4 2014 B18R2.3899 Fc1cccc(c1)CCCNCc2cn[nH]c2 207a_100000754185_100016992096 [0,1,1,0,0,0|2,0,0]=4 2015 B18R2.3899 Fc1cccc(c1)CCCNCc2cn[nH]c2 270004a_100000754185_100016992096 [0,1,1,0,0,0|2,0,0]=4 2016 B18R2.3899 Fc1cccc(c1)CCCNCc2cnc[nH]2 207a_100000754185_100000742939 [0,1,1,0,0,0|0,0,2]=4 2017 B18R2.3899 Fc1cccc(c1)CCCNCc2cnco2 270004a_100000754185_100000064291 [0,1,1,0,0,0|1,0,1]=4 2018 B18R2.3899 Fc1cccc(c1)CCCNCc2cncs2 207a_100000754185_100000749870 [0,1,1,0,0,0|1,0,1]=4 2019 B18R2.3899 Fc1cccc(c1)CCCNCc2cncs2 2230a_100000754185_100015185245 [0,1,1,0,0,0|1,0,1]=4 2020 B18R2.3899 Fc1cccc(c1)CCCNCc2cncs2 2230a_100016987365_200000698031 [0,1,1,0,0,0|1,0,1]=4 2021 B18R2.3899 Fc1cccc(c1)CCCNCc2cncs2 270004a_100000754185_100000749870 [0,1,1,0,0,0|1,0,1]=4 2022 B18R2.3899 Fc1cccc(c1)CCCNCc2cncs2 34a_100000754185_100015185245 [0,1,1,0,0,0|1,0,1]=4 2023 B18R2.3899 Fc1cccc(c1)CCCNCc2cocn2 270004a_100000754185_100000050382 [0,1,1,0,0,0|1,0,0]=3 2024 B18R2.3899 Fc1cccc(c1)CCCNCc2cscn2 207a_100000754185_100000743575 [0,1,1,0,0,0|1,0,0]=3 2025 B18R2.3899 Fc1cccc(c1)CCCNCc2cscn2 2230a_100000754185_100000205941 [0,1,1,0,0,0|1,0,0]=3 2026 B18R2.3899 Fc1cccc(c1)CCCNCc2cscn2 2230a_100015185402_200000698031 [0,1,1,0,0,0|1,0,0]=3 2027 B18R2.3899 Fc1cccc(c1)CCCNCc2cscn2 270004a_100000754185_100000743575 [0,1,1,0,0,0|1,0,0]=3 2028 B18R2.3899 Fc1cccc(c1)CCCNCc2cscn2 34a_100000754185_100000205941 [0,1,1,0,0,0|1,0,0]=3 2029 B18R2.3899 Fc1cccc(c1)CCCNCc2csnn2 270004a_100000754185_100000738508 [0,1,1,0,0,0|2,0,0]=4 2030 B18R2.3899 Fc1cccc(c1)CCCNCc2ncc[nH]2 207a_100000754185_100000743867 [0,1,1,0,0,0|2,0,0]=4 2031 B18R2.3899 Fc1cccc(c1)CCCNCc2ncc[nH]2 2230a_100000754185_100016991755 [0,1,1,0,0,0|2,0,0]=4 2032 B18R2.3899 Fc1cccc(c1)CCCNCc2ncc[nH]2 34a_100000754185_100016991755 [0,1,1,0,0,0|2,0,0]=4 2033 B18R2.3899 Fc1cccc(c1)CCCNCc2ncco2 2230a_100000754185_103436540062 [0,1,1,0,0,0|2,0,0]=4 2034 B18R2.3899 Fc1cccc(c1)CCCNCc2ncco2 2230a_100016994969_200000698031 [0,1,1,0,0,0|2,0,0]=4 2035 B18R2.3899 Fc1cccc(c1)CCCNCc2ncco2 270004a_100000754185_100000064290 [0,1,1,0,0,0|2,0,0]=4 2036 B18R2.3899 Fc1cccc(c1)CCCNCc2ncco2 34a_100000754185_103436540062 [0,1,1,0,0,0|2,0,0]=4 2037 B18R2.3899 Fc1cccc(c1)CCCNCc2nccs2 207a_100000754185_100000750902 [0,1,1,0,0,0|2,0,0]=4 2038 B18R2.3899 Fc1cccc(c1)CCCNCc2nccs2 2230a_100000740555_200000698031 [0,1,1,0,0,0|2,0,0]=4 2039 B18R2.3899 Fc1cccc(c1)CCCNCc2nccs2 2230a_100000754185_100015184050 [0,1,1,0,0,0|2,0,0]=4 2040 B18R2.3899 Fc1cccc(c1)CCCNCc2nccs2 270004a_100000754185_100000750902 [0,1,1,0,0,0|2,0,0]=4 2041 B18R2.3899 Fc1cccc(c1)CCCNCc2nccs2 34a_100000754185_100015184050 [0,1,1,0,0,0|2,0,0]=4 2042 B18R2.3899 Fc1cccc(c1)CCCNCc2ncon2 34a_100000754185_100000233494 [0,1,1,0,0,0|2,0,0]=4 2043 B18R2.3899 Fc1cccc(c1)CCCNCn2cncn2 2230a_100000754185_200020645497 [0,1,1,0,0,0|1,0,1]=4 2044 B18R2.3899 Fc1cccc(c1)CCCNCn2cncn2 34a_100000754185_200020645497 [0,1,1,0,0,0|1,0,1]=4 2045 B18R2.3899 Fc1cccc(c1)CCCSCc2c[nH]cn2 62a_100000707719_200000698031 [0,1,1,0,0,0|1,0,0]=3 2046 B18R2.3899 Fc1cccc(c1)CCCSCc2c[nH]cn2 62a_200000698031_100000707719 [0,1,1,0,0,0|1,0,0]=3 2047 B18R2.3899 Fc1cccc(c1)CCCSCc2cscn2 62a_100000205941_200000698031 [0,1,1,0,0,0|2,0,0]=4 2048 B18R2.3899 Fc1cccc(c1)CCCSCc2cscn2 62a_200000698031_100000205941 [0,1,1,0,0,0|2,0,0]=4 2049 B18R2.3899 Fc1cccc(c1)CCNCCc2c[nH]cn2 2230a_100000205154_100020628418 [0,1,1,0,0,0|2,0,0]=4 2050 B18R2.3899 Fc1cccc(c1)CCOCCc2c[nH]cn2 7a_100000763591_100020628418 [0,1,1,0,0,0|2,0,0]=4 2051 B18R2.3899 Fc1cccc(c1)CCSCCc2c[nH]cn2 62a_100011217235_100020628418 [0,1,1,0,0,0|2,0,0]=4 2052 B18R2.3899 Fc1cccc(c1)CCSCCc2c[nH]cn2 62a_100020628418_100011217235 [0,1,1,0,0,0|2,0,0]=4 2053 B18R2.3899 Fc1cccc(c1)OCCNCc2c[nH]cn2 2230a_100000738948_100000707719 [0,1,1,0,0,0|1,0,0]=3 2054 B18R2.3899 Fc1cccc(c1)OCCNCc2c[nH]cn2 34a_100000738948_100000707719 [0,1,1,0,0,0|1,0,0]=3 2055 B18R2.3899 Fc1cccc(c1)OCCNCc2cocn2 270004a_100000738948_100000050382 [0,1,1,0,0,0|2,0,0]=4 2056 B18R2.3899 Fc1cccc(c1)OCCNCc2cscn2 207a_100000738948_100000743575 [0,1,1,0,0,0|2,0,0]=4 2057 B18R2.3899 Fc1cccc(c1)OCCNCc2cscn2 2230a_100000738948_100000205941 [0,1,1,0,0,0|2,0,0]=4 2058 B18R2.3899 Fc1cccc(c1)OCCNCc2cscn2 2230a_100015185402_100000739188 [0,1,1,0,0,0|2,0,0]=4 2059 B18R2.3899 Fc1cccc(c1)OCCNCc2cscn2 270004a_100000738948_100000743575 [0,1,1,0,0,0|2,0,0]=4 2060 B18R2.3899 Fc1cccc(c1)OCCNCc2cscn2 34a_100000738948_100000205941 [0,1,1,0,0,0|2,0,0]=4 2061 B18R2.3899 Fc1cccc(c1)OCCSCc2c[nH]cn2 62a_100000707719_100000739188 [0,1,1,0,0,0|2,0,0]=4 2062 B18R2.3899 Fc1cccc(c1)OCCSCc2c[nH]cn2 62a_100000739188_100000707719 [0,1,1,0,0,0|2,0,0]=4 2063 B18R2.3899 Fc1cccc(c1)SCCOCc2c[nH]cn2 34a_200011996949_100000707719 [0,1,1,0,0,0|2,0,0]=4 2064 B18R2.3899 Nc1cccc(c1)CCCOCc2c[nH]cn2 34a_200000698965_100000707719 [0,1,1,0,0,0|1,0,0]=3 2065 B18R2.3899 Nc1cccc(c1)CCCOCc2cscn2 34a_200000698965_100000205941 [0,1,1,0,0,0|2,0,0]=4 2066 B18R2.3899 Nc1cccc(c1)CCCOCc2cscn2 7a_200000698965_100000205941 [0,1,1,0,0,0|2,0,0]=4 2067 B18R2.3899 Nc1cccc(c1)OCCOCc2c[nH]cn2 34a_100011232151_100000707719 [0,1,1,0,0,0|2,0,0]=4 2068 B18R2.3899 Oc1cccc(c1)CCNCCc2c[nH]cn2 2230a_100000747277_100020628418 [0,1,1,0,0,0|2,0,0]=4 2069 B18R2.3995 Brc1ccccc1CCCNCc2ccco2 2230a_100000185738_200011713681 [0,1,1,0,0,0|2,0,0]=4 2070 B18R2.3995 Brc1ccccc1CCCNCc2ccco2 34a_100000185738_200011713681 [0,1,1,0,0,0|2,0,0]=4 2071 B18R2.3995 Brc1ccccc1CCCNCc2cccs2 2230a_100000211653_200011713681 [0,1,1,0,0,0|2,0,0]=4 2072 B18R2.3995 Brc1ccccc1CCCNCc2ccoc2 2230a_100015206860_200011713681 [0,1,1,0,0,0|2,0,0]=4 2073 B18R2.3995 Brc1ccccc1CCCNCc2ccoc2 34a_100015206860_200011713681 [0,1,1,0,0,0|2,0,0]=4 2074 B18R2.3995 Brc1ccccc1CCCNCc2ccsc2 2230a_100000186416_200011713681 [0,1,1,0,0,0|2,0,0]=4 2075 B18R2.3995 Brc1ccccc1CCCNCc2ccsc2 34a_100000186416_200011713681 [0,1,1,0,0,0|2,0,0]=4 2076 B18R2.3995 Brc1ccccc1CCCNCc2cncs2 2230a_100016987365_200011713681 [0,1,1,0,0,0|1,0,1]=4 2077 B18R2.3995 Brc1ccccc1CCCNCc2cscn2 2230a_100015185402_200011713681 [0,1,1,0,0,0|1,0,0]=3 2078 B18R2.3995 Brc1ccccc1CCCNCc2ncco2 2230a_100016994969_200011713681 [0,1,1,0,0,0|2,0,0]=4 2079 B18R2.3995 Brc1ccccc1CCCNCc2nccs2 2230a_100000740555_200011713681 [0,1,1,0,0,0|2,0,0]=4 2080 B18R2.3995 Brc1ccccc1CCCOCc2c[nH]cn2 34a_100000699526_100000707719 [0,1,1,0,0,0|1,0,0]=3 2081 B18R2.3995 Brc1ccccc1CCCOCc2cscn2 34a_100000699526_100000205941 [0,1,1,0,0,0|2,0,0]=4 2082 B18R2.3995 Brc1ccccc1CCCOCc2cscn2 7a_100000699526_100000205941 [0,1,1,0,0,0|2,0,0]=4 2083 B18R2.3995 Brc1ccccc1CCCSCc2c[nH]cn2 62a_100000707719_200011713681 [0,1,1,0,0,0|1,0,0]=3 2084 B18R2.3995 Brc1ccccc1CCCSCc2c[nH]cn2 62a_200011713681_100000707719 [0,1,1,0,0,0|1,0,0]=3 2085 B18R2.3995 Brc1ccccc1CCCSCc2cscn2 62a_100000205941_200011713681 [0,1,1,0,0,0|2,0,0]=4 2086 B18R2.3995 Brc1ccccc1CCCSCc2cscn2 62a_200011713681_100000205941 [0,1,1,0,0,0|2,0,0]=4 2087 B18R2.3995 Brc1ccccc1CCNCCc2c[nH]cn2 2230a_100000747383_100020628418 [0,1,1,0,0,0|2,0,0]=4 2088 B18R2.3995 Brc1ccccc1CCOCCc2c[nH]cn2 7a_100000731337_100020628418 [0,1,1,0,0,0|2,0,0]=4 2089 B18R2.3995 Brc1ccccc1CCSCCc2c[nH]cn2 62a_100012161201_100020628418 [0,1,1,0,0,0|2,0,0]=4 2090 B18R2.3995 Brc1ccccc1CCSCCc2c[nH]cn2 62a_100020628418_100012161201 [0,1,1,0,0,0|2,0,0]=4 2091 B18R2.3995 Brc1ccccc1OCCNCc2c[nH]cn2 2230a_100000744007_100000707719 [0,1,1,0,0,0|1,0,0]=3 2092 B18R2.3995 Brc1ccccc1OCCNCc2c[nH]cn2 34a_100000744007_100000707719 [0,1,1,0,0,0|1,0,0]=3 2093 B18R2.3995 Brc1ccccc1OCCNCc2cocn2 270004a_100000744007_100000050382 [0,1,1,0,0,0|2,0,0]=4 2094 B18R2.3995 Brc1ccccc1OCCNCc2cscn2 207a_100000744007_100000743575 [0,1,1,0,0,0|2,0,0]=4 2095 B18R2.3995 Brc1ccccc1OCCNCc2cscn2 2230a_100000744007_100000205941 [0,1,1,0,0,0|2,0,0]=4 2096 B18R2.3995 Brc1ccccc1OCCNCc2cscn2 2230a_100015185402_100000695877 [0,1,1,0,0,0|2,0,0]=4 2097 B18R2.3995 Brc1ccccc1OCCNCc2cscn2 270004a_100000744007_100000743575 [0,1,1,0,0,0|2,0,0]=4 2098 B18R2.3995 Brc1ccccc1OCCNCc2cscn2 34a_100000744007_100000205941 [0,1,1,0,0,0|2,0,0]=4 2099 B18R2.3995 Brc1ccccc1OCCOCc2c[nH]cn2 34a_100000230753_100000707719 [0,1,1,0,0,0|2,0,0]=4 2100 B18R2.3995 Brc1ccccc1OCCSCc2c[nH]cn2 62a_100000695877_100000707719 [0,1,1,0,0,0|2,0,0]=4 2101 B18R2.3995 Brc1ccccc1OCCSCc2c[nH]cn2 62a_100000707719_100000695877 [0,1,1,0,0,0|2,0,0]=4 2102 B18R2.3995 Brc1ccccc1SCCOCc2c[nH]cn2 34a_200000230852_100000707719 [0,1,1,0,0,0|2,0,0]=4 2103 B18R2.3995 Cc1ccccc1CCNCCc2c[nH]cn2 2230a_100000685071_100020628418 [0,1,1,0,0,0|2,0,0]=4 2104 B18R2.3995 Cc1ccccc1CCOCCc2c[nH]cn2 7a_100011220023_100020628418 [0,1,1,0,0,0|2,0,0]=4 2105 B18R2.3995 Cc1ccccc1CCSCCc2c[nH]cn2 62a_100011713688_100020628418 [0,1,1,0,0,0|2,0,0]=4 2106 B18R2.3995 Cc1ccccc1CCSCCc2c[nH]cn2 62a_100020628418_100011713688 [0,1,1,0,0,0|2,0,0]=4 2107 B18R2.3995 Cc1ccccc1NCCOCc2c[nH]cn2 34a_100011233185_100000707719 [0,1,1,0,0,0|2,0,0]=4 2108 B18R2.3995 Cc1ccccc1OCCNCc2c[nH]cn2 2230a_100000743344_100000707719 [0,1,1,0,0,0|1,0,0]=3 2109 B18R2.3995 Cc1ccccc1OCCNCc2c[nH]cn2 34a_100000743344_100000707719 [0,1,1,0,0,0|1,0,0]=3 2110 B18R2.3995 Cc1ccccc1OCCNCc2cocn2 270004a_100000743344_100000050382 [0,1,1,0,0,0|2,0,0]=4 2111 B18R2.3995 Cc1ccccc1OCCNCc2cscn2 207a_100000743344_100000743575 [0,1,1,0,0,0|2,0,0]=4 2112 B18R2.3995 Cc1ccccc1OCCNCc2cscn2 2230a_100000743344_100000205941 [0,1,1,0,0,0|2,0,0]=4 2113 B18R2.3995 Cc1ccccc1OCCNCc2cscn2 2230a_100015185402_100000184434 [0,1,1,0,0,0|2,0,0]=4 2114 B18R2.3995 Cc1ccccc1OCCNCc2cscn2 270004a_100000743344_100000743575 [0,1,1,0,0,0|2,0,0]=4 2115 B18R2.3995 Cc1ccccc1OCCNCc2cscn2 34a_100000743344_100000205941 [0,1,1,0,0,0|2,0,0]=4 2116 B18R2.3995 Cc1ccccc1OCCSCc2c[nH]cn2 62a_100000184434_100000707719 [0,1,1,0,0,0|2,0,0]=4 2117 B18R2.3995 Cc1ccccc1OCCSCc2c[nH]cn2 62a_100000707719_100000184434 [0,1,1,0,0,0|2,0,0]=4 2118 B18R2.3995 Clc1ccccc1CCCOCc2c[nH]cn2 34a_100011709251_100000707719 [0,1,1,0,0,0|1,0,0]=3 2119 B18R2.3995 Clc1ccccc1CCCOCc2cscn2 34a_100011709251_100000205941 [0,1,1,0,0,0|2,0,0]=4 2120 B18R2.3995 Clc1ccccc1CCCOCc2cscn2 7a_100011709251_100000205941 [0,1,1,0,0,0|2,0,0]=4 2121 B18R2.3995 Clc1ccccc1CCNCCc2c[nH]cn2 2230a_100011207228_100020628418 [0,1,1,0,0,0|2,0,0]=4 2122 B18R2.3995 Clc1ccccc1CCNCCc2c[nH]cn2 270004a_100000755092_200011713468 [0,1,1,0,0,0|2,0,0]=4 2123 B18R2.3995 Clc1ccccc1CCOCCc2c[nH]cn2 7a_100011215284_100020628418 [0,1,1,0,0,0|2,0,0]=4 2124 B18R2.3995 Clc1ccccc1CCSCCc2c[nH]cn2 62a_100011713703_100020628418 [0,1,1,0,0,0|2,0,0]=4 2125 B18R2.3995 Clc1ccccc1CCSCCc2c[nH]cn2 62a_100020628418_100011713703 [0,1,1,0,0,0|2,0,0]=4 2126 B18R2.3995 Clc1ccccc1OCCNCc2c[nH]cn2 2230a_100000174932_100000707719 [0,1,1,0,0,0|1,0,0]=3 2127 B18R2.3995 Clc1ccccc1OCCNCc2c[nH]cn2 34a_100000174932_100000707719 [0,1,1,0,0,0|1,0,0]=3 2128 B18R2.3995 Clc1ccccc1OCCNCc2cocn2 270004a_100000174932_100000050382 [0,1,1,0,0,0|2,0,0]=4 2129 B18R2.3995 Clc1ccccc1OCCNCc2cscn2 207a_100000174932_100000743575 [0,1,1,0,0,0|2,0,0]=4 2130 B18R2.3995 Clc1ccccc1OCCNCc2cscn2 2230a_100000174932_100000205941 [0,1,1,0,0,0|2,0,0]=4 2131 B18R2.3995 Clc1ccccc1OCCNCc2cscn2 270004a_100000174932_100000743575 [0,1,1,0,0,0|2,0,0]=4 2132 B18R2.3995 Clc1ccccc1OCCNCc2cscn2 34a_100000174932_100000205941 [0,1,1,0,0,0|2,0,0]=4 2133 B18R2.3995 Clc1ccccc1OCCOCc2c[nH]cn2 34a_200000230518_100000707719 [0,1,1,0,0,0|2,0,0]=4 2134 B18R2.3995 Clc1ccccc1SCCOCc2c[nH]cn2 34a_200000230572_100000707719 [0,1,1,0,0,0|2,0,0]=4 2135 B18R2.3995 Fc1ccccc1CCCNCc2c[nH]cn2 2230a_100000724733_100000707719 [0,1,1,0,0,0|0,0,0]=2 2136 B18R2.3995 Fc1ccccc1CCCNCc2c[nH]cn2 34a_100000724733_100000707719 [0,1,1,0,0,0|0,0,0]=2 2137 B18R2.3995 Fc1ccccc1CCCNCc2cc[nH]n2 207a_100000724733_100000738523 [0,1,1,0,0,0|2,0,0]=4 2138 B18R2.3995 Fc1ccccc1CCCNCc2cc[nH]n2 270004a_100000724733_100000738523 [0,1,1,0,0,0|2,0,0]=4 2139 B18R2.3995 Fc1ccccc1CCCNCc2ccco2 207a_100000724733_100000186105 [0,1,1,0,0,0|2,0,0]=4 2140 B18R2.3995 Fc1ccccc1CCCNCc2ccco2 270004a_100000724733_100000186105 [0,1,1,0,0,0|2,0,0]=4 2141 B18R2.3995 Fc1ccccc1CCCNCc2cccs2 207a_100000724733_100000209959 [0,1,1,0,0,0|2,0,0]=4 2142 B18R2.3995 Fc1ccccc1CCCNCc2cccs2 270004a_100000724733_100000209959 [0,1,1,0,0,0|2,0,0]=4 2143 B18R2.3995 Fc1ccccc1CCCNCc2ccoc2 207a_100000724733_100011215517 [0,1,1,0,0,0|2,0,0]=4 2144 B18R2.3995 Fc1ccccc1CCCNCc2ccoc2 270004a_100000724733_100011215517 [0,1,1,0,0,0|2,0,0]=4 2145 B18R2.3995 Fc1ccccc1CCCNCc2ccon2 2230a_100000724733_100000234950 [0,1,1,0,0,0|2,0,0]=4 2146 B18R2.3995 Fc1ccccc1CCCNCc2ccon2 34a_100000724733_100000234950 [0,1,1,0,0,0|2,0,0]=4 2147 B18R2.3995 Fc1ccccc1CCCNCc2ccsc2 207a_100000724733_100000188534 [0,1,1,0,0,0|2,0,0]=4 2148 B18R2.3995 Fc1ccccc1CCCNCc2ccsc2 2230a_100000724733_100011261437 [0,1,1,0,0,0|2,0,0]=4 2149 B18R2.3995 Fc1ccccc1CCCNCc2ccsc2 270004a_100000724733_100000188534 [0,1,1,0,0,0|2,0,0]=4 2150 B18R2.3995 Fc1ccccc1CCCNCc2ccsc2 34a_100000724733_100011261437 [0,1,1,0,0,0|2,0,0]=4 2151 B18R2.3995 Fc1ccccc1CCCNCc2cn[nH]c2 207a_100000724733_100016992096 [0,1,1,0,0,0|2,0,0]=4 2152 B18R2.3995 Fc1ccccc1CCCNCc2cn[nH]c2 270004a_100000724733_100016992096 [0,1,1,0,0,0|2,0,0]=4 2153 B18R2.3995 Fc1ccccc1CCCNCc2cnc[nH]2 207a_100000724733_100000742939 [0,1,1,0,0,0|0,0,2]=4 2154 B18R2.3995 Fc1ccccc1CCCNCc2cnco2 270004a_100000724733_100000064291 [0,1,1,0,0,0|1,0,1]=4 2155 B18R2.3995 Fc1ccccc1CCCNCc2cncs2 207a_100000724733_100000749870 [0,1,1,0,0,0|1,0,1]=4 2156 B18R2.3995 Fc1ccccc1CCCNCc2cncs2 2230a_100000724733_100015185245 [0,1,1,0,0,0|1,0,1]=4 2157 B18R2.3995 Fc1ccccc1CCCNCc2cncs2 270004a_100000724733_100000749870 [0,1,1,0,0,0|1,0,1]=4 2158 B18R2.3995 Fc1ccccc1CCCNCc2cncs2 34a_100000724733_100015185245 [0,1,1,0,0,0|1,0,1]=4 2159 B18R2.3995 Fc1ccccc1CCCNCc2cocn2 270004a_100000724733_100000050382 [0,1,1,0,0,0|1,0,0]=3 2160 B18R2.3995 Fc1ccccc1CCCNCc2cscn2 207a_100000724733_100000743575 [0,1,1,0,0,0|1,0,0]=3 2161 B18R2.3995 Fc1ccccc1CCCNCc2cscn2 2230a_100000724733_100000205941 [0,1,1,0,0,0|1,0,0]=3 2162 B18R2.3995 Fc1ccccc1CCCNCc2cscn2 270004a_100000724733_100000743575 [0,1,1,0,0,0|1,0,0]=3 2163 B18R2.3995 Fc1ccccc1CCCNCc2cscn2 34a_100000724733_100000205941 [0,1,1,0,0,0|1,0,0]=3 2164 B18R2.3995 Fc1ccccc1CCCNCc2csnn2 270004a_100000724733_100000738508 [0,1,1,0,0,0|2,0,0]=4 2165 B18R2.3995 Fc1ccccc1CCCNCc2ncc[nH]2 207a_100000724733_100000743867 [0,1,1,0,0,0|2,0,0]=4 2166 B18R2.3995 Fc1ccccc1CCCNCc2ncc[nH]2 2230a_100000724733_100016991755 [0,1,1,0,0,0|2,0,0]=4 2167 B18R2.3995 Fc1ccccc1CCCNCc2ncc[nH]2 34a_100000724733_100016991755 [0,1,1,0,0,0|2,0,0]=4 2168 B18R2.3995 Fc1ccccc1CCCNCc2ncco2 2230a_100000724733_103436540062 [0,1,1,0,0,0|2,0,0]=4 2169 B18R2.3995 Fc1ccccc1CCCNCc2ncco2 270004a_100000724733_100000064290 [0,1,1,0,0,0|2,0,0]=4 2170 B18R2.3995 Fc1ccccc1CCCNCc2ncco2 34a_100000724733_103436540062 [0,1,1,0,0,0|2,0,0]=4 2171 B18R2.3995 Fc1ccccc1CCCNCc2nccs2 207a_100000724733_100000750902 [0,1,1,0,0,0|2,0,0]=4 2172 B18R2.3995 Fc1ccccc1CCCNCc2nccs2 2230a_100000724733_100015184050 [0,1,1,0,0,0|2,0,0]=4 2173 B18R2.3995 Fc1ccccc1CCCNCc2nccs2 270004a_100000724733_100000750902 [0,1,1,0,0,0|2,0,0]=4 2174 B18R2.3995 Fc1ccccc1CCCNCc2nccs2 34a_100000724733_100015184050 [0,1,1,0,0,0|2,0,0]=4 2175 B18R2.3995 Fc1ccccc1CCCNCc2ncon2 34a_100000724733_100000233494 [0,1,1,0,0,0|2,0,0]=4 2176 B18R2.3995 Fc1ccccc1CCCNCn2cncn2 2230a_100000724733_200020645497 [0,1,1,0,0,0|1,0,1]=4 2177 B18R2.3995 Fc1ccccc1CCCNCn2cncn2 34a_100000724733_200020645497 [0,1,1,0,0,0|1,0,1]=4 2178 B18R2.3995 Fc1ccccc1CCCOCc2c[nH]cn2 34a_100011709249_100000707719 [0,1,1,0,0,0|1,0,0]=3 2179 B18R2.3995 Fc1ccccc1CCCOCc2cscn2 34a_100011709249_100000205941 [0,1,1,0,0,0|2,0,0]=4 2180 B18R2.3995 Fc1ccccc1CCCOCc2cscn2 7a_100011709249_100000205941 [0,1,1,0,0,0|2,0,0]=4 2181 B18R2.3995 Fc1ccccc1CCNCCc2c[nH]cn2 2230a_100000185272_100020628418 [0,1,1,0,0,0|2,0,0]=4 2182 B18R2.3995 Fc1ccccc1CCOCCc2c[nH]cn2 7a_100000753711_100020628418 [0,1,1,0,0,0|2,0,0]=4 2183 B18R2.3995 Fc1ccccc1CCSCCc2c[nH]cn2 62a_100011713696_100020628418 [0,1,1,0,0,0|2,0,0]=4 2184 B18R2.3995 Fc1ccccc1CCSCCc2c[nH]cn2 62a_100020628418_100011713696 [0,1,1,0,0,0|2,0,0]=4 2185 B18R2.3995 Fc1ccccc1OCCNCc2c[nH]cn2 2230a_100000683764_100000707719 [0,1,1,0,0,0|1,0,0]=3 2186 B18R2.3995 Fc1ccccc1OCCNCc2c[nH]cn2 34a_100000683764_100000707719 [0,1,1,0,0,0|1,0,0]=3 2187 B18R2.3995 Fc1ccccc1OCCNCc2cocn2 270004a_100000683764_100000050382 [0,1,1,0,0,0|2,0,0]=4 2188 B18R2.3995 Fc1ccccc1OCCNCc2cscn2 207a_100000683764_100000743575 [0,1,1,0,0,0|2,0,0]=4 2189 B18R2.3995 Fc1ccccc1OCCNCc2cscn2 2230a_100000683764_100000205941 [0,1,1,0,0,0|2,0,0]=4 2190 B18R2.3995 Fc1ccccc1OCCNCc2cscn2 2230a_100015185402_100000183290 [0,1,1,0,0,0|2,0,0]=4 2191 B18R2.3995 Fc1ccccc1OCCNCc2cscn2 270004a_100000683764_100000743575 [0,1,1,0,0,0|2,0,0]=4 2192 B18R2.3995 Fc1ccccc1OCCNCc2cscn2 34a_100000683764_100000205941 [0,1,1,0,0,0|2,0,0]=4 2193 B18R2.3995 Fc1ccccc1OCCOCc2c[nH]cn2 34a_100000756447_100000707719 [0,1,1,0,0,0|2,0,0]=4 2194 B18R2.3995 Fc1ccccc1OCCSCc2c[nH]cn2 62a_100000183290_100000707719 [0,1,1,0,0,0|2,0,0]=4 2195 B18R2.3995 Fc1ccccc1OCCSCc2c[nH]cn2 62a_100000707719_100000183290 [0,1,1,0,0,0|2,0,0]=4 2196 B18R2.3995 Fc1ccccc1SCCOCc2c[nH]cn2 34a_200000230732_100000707719 [0,1,1,0,0,0|2,0,0]=4 2197 B18R2.3995 Ic1ccccc1CCOCCc2c[nH]cn2 7a_100010255290_100020628418 [0,1,1,0,0,0|2,0,0]=4 2198 B18R2.3995 Nc1ccccc1NCCOCc2c[nH]cn2 34a_100000683943_100000707719 [0,1,1,0,0,0|2,0,0]=4 2199 B18R2.3995 Nc1ccccc1OCCOCc2c[nH]cn2 34a_100132302172_100000707719 [0,1,1,0,0,0|2,0,0]=4 2200 B18R2.3995 Oc1ccccc1CCSCCc2c[nH]cn2 62a_100000722297_100020628418 [0,1,1,0,0,0|2,0,0]=4 2201 B18R2.3995 Oc1ccccc1CCSCCc2c[nH]cn2 62a_100020628418_100000722297 [0,1,1,0,0,0|2,0,0]=4 2202 B18R2.4091 Brc1ccoc1CNCCCc2ccccc2 270004a_100000211184_100000756499 [0,1,1,0,0,0|2,0,0]=4 2203 B18R2.4091 Brc1ccsc1CNCCCc2ccccc2 207a_100000211184_100000766043 [0,1,1,0,0,0|2,0,0]=4 2204 B18R2.4091 Brc1ccsc1CNCCCc2ccccc2 270004a_100000211184_100000766043 [0,1,1,0,0,0|2,0,0]=4 2205 B18R2.4091 Brc1cscc1CNCCCc2ccccc2 207a_100000211184_100000685484 [0,1,1,0,0,0|2,0,0]=4 2206 B18R2.4091 Brc1cscc1CNCCCc2ccccc2 270004a_100000211184_100000685484 [0,1,1,0,0,0|2,0,0]=4 2207 B18R2.4091 Brc1sccc1CNCCCc2ccccc2 207a_100000211184_100009816921 [0,1,1,0,0,0|2,0,0]=4 2208 B18R2.4091 Brc1sccc1CNCCCc2ccccc2 2230a_100000211184_100009814289 [0,1,1,0,0,0|2,0,0]=4 2209 B18R2.4091 Brc1sccc1CNCCCc2ccccc2 2230a_100000727803_100000211621 [0,1,1,0,0,0|2,0,0]=4 2210 B18R2.4091 Brc1sccc1CNCCCc2ccccc2 270004a_100000211184_100009816921 [0,1,1,0,0,0|2,0,0]=4 2211 B18R2.4091 Brc1sccc1CNCCCc2ccccc2 34a_100000211184_100009814289 [0,1,1,0,0,0|2,0,0]=4 2212 B18R2.4091 Brc1sccc1CNCCCc2ccccc2 34a_100000727803_100000211621 [0,1,1,0,0,0|2,0,0]=4 2213 B18R2.4091 Cc1[nH]cnc1CNC/C=C/c2ccccc2 2230a_100020603302_100000751220 [0,1,1,0,0,0|0,0,2]=4 2214 B18R2.4091 Cc1[nH]cnc1CNCCCc2ccccc2 207a_100000211184_100000032982 [0,1,1,0,0,0|0,0,0]=2 2215 B18R2.4091 Cc1[nH]cnc1CNCCCc2ccccc2 2230a_100000211184_100000751220 [0,1,1,0,0,0|0,0,0]=2 2216 B18R2.4091 Cc1[nH]cnc1CNCCCc2ccccn2 207a_100000689020_100000032982 [0,1,1,0,0,0|1,0,0]=3 2217 B18R2.4091 Cc1[nH]cnc1CNCCCc2cccnc2 207a_100011532358_100000032982 [0,1,1,0,0,0|1,0,0]=3 2218 B18R2.4091 Cc1[nH]cnc1CNCCCc2cccnc2 2230a_100011532358_100000751220 [0,1,1,0,0,0|1,0,0]=3 2219 B18R2.4091 Cc1[nH]cnc1CNCCCc2ccncc2 207a_100011275580_100000032982 [0,1,1,0,0,0|1,0,0]=3 2220 B18R2.4091 Cc1[nH]cnc1CNCCCc2ccncc2 2230a_100011275580_100000751220 [0,1,1,0,0,0|1,0,0]=3 2221 B18R2.4091 Cc1[nH]cnc1CNCCOc2ccccc2 207a_100000174943_100000032982 [0,1,1,0,0,0|1,0,0]=3 2222 B18R2.4091 Cc1[nH]cnc1CNCCOc2ccccc2 2230a_100000174943_100000751220 [0,1,1,0,0,0|1,0,0]=3 2223 B18R2.4091 Cc1[nH]cnc1CNCCOc2ccccn2 207a_106741647558_100000032982 [0,1,1,0,0,0|2,0,0]=4 2224 B18R2.4091 Cc1[nH]cnc1CNCCOc2ccccn2 2230a_106741647558_100000751220 [0,1,1,0,0,0|2,0,0]=4 2225 B18R2.4091 Cc1[nH]cnc1CNCCOc2cccnc2 207a_100000754688_100000032982 [0,1,1,0,0,0|2,0,0]=4 2226 B18R2.4091 Cc1[nH]cnc1CNCCOc2cccnc2 2230a_100000754688_100000751220 [0,1,1,0,0,0|2,0,0]=4 2227 B18R2.4091 Cc1[nH]cnc1CNCCOc2ccncc2 207a_100025717301_100000032982 [0,1,1,0,0,0|2,0,0]=4 2228 B18R2.4091 Cc1[nH]cnc1CNCCSc2ccccc2 207a_100000189519_100000032982 [0,1,1,0,0,0|1,0,0]=3 2229 B18R2.4091 Cc1[nH]cnc1CNCCSc2ccccc2 2230a_100000189519_100000751220 [0,1,1,0,0,0|1,0,0]=3 2230 B18R2.4091 Cc1[nH]cnc1CSCCCc2ccccc2 62a_100000211621_100000751220 [0,1,1,0,0,0|1,0,0]=3 2231 B18R2.4091 Cc1[nH]cnc1CSCCCc2ccccc2 62a_100000751220_100000211621 [0,1,1,0,0,0|1,0,0]=3 2232 B18R2.4091 Cc1[nH]cnc1CSCCOc2ccccc2 62a_100000184471_100000751220 [0,1,1,0,0,0|2,0,0]=4 2233 B18R2.4091 Cc1[nH]cnc1CSCCOc2ccccc2 62a_100000751220_100000184471 [0,1,1,0,0,0|2,0,0]=4 2234 B18R2.4091 Cc1[nH]cnc1CSCCSc2ccccc2 62a_100000246102_100000751220 [0,1,1,0,0,0|2,0,0]=4 2235 B18R2.4091 Cc1[nH]cnc1CSCCSc2ccccc2 62a_100000751220_100000246102 [0,1,1,0,0,0|2,0,0]=4 2236 B18R2.4091 Cc1[nH]cnc1CSCOCc2ccccc2 62a_100000751220_100000763385 [0,1,1,0,0,0|2,0,0]=4 2237 B18R2.4091 Cc1[nH]cnc1CSCOCc2ccccc2 62a_100000763385_100000751220 [0,1,1,0,0,0|2,0,0]=4 2238 B18R2.4091 Cc1[nH]cnc1CSCSCc2ccccc2 62a_100000751220_200011217039 [0,1,1,0,0,0|2,0,0]=4 2239 B18R2.4091 Cc1[nH]cnc1CSCSCc2ccccc2 62a_200011217039_100000751220 [0,1,1,0,0,0|2,0,0]=4 2240 B18R2.4091 Cc1[nH]cnc1SCCCCc2ccccc2 62a_100000701786_100010186451 [0,1,1,0,0,0|2,0,0]=4 2241 B18R2.4091 Cc1[nH]cnc1SCCCCc2ccccc2 62a_100010186451_100000701786 [0,1,1,0,0,0|2,0,0]=4 2242 B18R2.4091 Cc1ccoc1CNCCCc2ccccc2 207a_100000211184_100000763527 [0,1,1,0,0,0|2,0,0]=4 2243 B18R2.4091 Cc1ccoc1CNCCCc2ccccc2 270004a_100000211184_100000763527 [0,1,1,0,0,0|2,0,0]=4 2244 B18R2.4091 Cc1ccsc1CNCCCc2ccccc2 207a_100000211184_100000210881 [0,1,1,0,0,0|2,0,0]=4 2245 B18R2.4091 Cc1ccsc1CNCCCc2ccccc2 2230a_100000238519_100000211621 [0,1,1,0,0,0|2,0,0]=4 2246 B18R2.4091 Cc1ccsc1CNCCCc2ccccc2 270004a_100000211184_100000210881 [0,1,1,0,0,0|2,0,0]=4 2247 B18R2.4091 Cc1ccsc1CNCCCc2ccccc2 34a_100000238519_100000211621 [0,1,1,0,0,0|2,0,0]=4 2248 B18R2.4091 Cc1n[nH]cc1CNCCCc2ccccc2 207a_100000211184_100000737037 [0,1,1,0,0,0|2,0,0]=4 2249 B18R2.4091 Cc1ncsc1CNCCCc2ccccc2 207a_100000211184_100000764165 [0,1,1,0,0,0|1,0,1]=4 2250 B18R2.4091 Cc1ncsc1CNCCCc2ccccc2 2230a_100000752186_100000211621 [0,1,1,0,0,0|1,0,1]=4 2251 B18R2.4091 Cc1nonc1CNCCCc2ccccc2 2230a_100000211184_200000044682 [0,1,1,0,0,0|1,0,1]=4 2252 B18R2.4091 Cc1nonc1CNCCCc2ccccc2 34a_100000211184_200000044682 [0,1,1,0,0,0|1,0,1]=4 2253 B18R2.4091 Cc1ocnc1CNCCCc2ccccc2 2230a_100000211184_200000693990 [0,1,1,0,0,0|1,0,0]=3 2254 B18R2.4091 Cc1ocnc1CNCCCc2ccccc2 34a_100000211184_200000693990 [0,1,1,0,0,0|1,0,0]=3 2255 B18R2.4091 Cc1ocnc1CNCCCc2cccnc2 2230a_100011532358_200000693990 [0,1,1,0,0,0|2,0,0]=4 2256 B18R2.4091 Cc1ocnc1CNCCCc2cccnc2 34a_100011532358_200000693990 [0,1,1,0,0,0|2,0,0]=4 2257 B18R2.4091 Cc1ocnc1CNCCCc2ccncc2 2230a_100011275580_200000693990 [0,1,1,0,0,0|2,0,0]=4 2258 B18R2.4091 Cc1ocnc1CNCCOc2ccccc2 2230a_100000174943_200000693990 [0,1,1,0,0,0|2,0,0]=4 2259 B18R2.4091 Cc1ocnc1CNCCOc2ccccc2 34a_100000174943_200000693990 [0,1,1,0,0,0|2,0,0]=4 2260 B18R2.4091 Cc1ocnc1CNCCSc2ccccc2 2230a_100000189519_200000693990 [0,1,1,0,0,0|2,0,0]=4 2261 B18R2.4091 Cc1ocnc1COCCCc2ccccc2 34a_100000210828_200000693990 [0,1,1,0,0,0|2,0,0]=4 2262 B18R2.4091 Cc1ocnc1COCCCc2ccccc2 34a_100012017639_100000211621 [0,1,1,0,0,0|2,0,0]=4 2263 B18R2.4091 Cc1ocnc1COCCCc2ccccc2 7a_100000210828_200000693990 [0,1,1,0,0,0|2,0,0]=4 2264 B18R2.4091 Cc1ocnc1CSCCCc2ccccc2 62a_100000211621_200000693990 [0,1,1,0,0,0|2,0,0]=4 2265 B18R2.4091 Cc1ocnc1CSCCCc2ccccc2 62a_200000693990_100000211621 [0,1,1,0,0,0|2,0,0]=4 2266 B18R2.4091 Clc1c[nH]nc1CNCCCc2ccccc2 207a_100000211184_100000040271 [0,1,1,0,0,0|2,0,0]=4 2267 B18R2.4091 Clc1c[nH]nc1CNCCCc2ccccc2 270004a_100000211184_100000040271 [0,1,1,0,0,0|2,0,0]=4 2268 B18R2.4091 Clc1ccsc1CNCCCc2ccccc2 207a_100000211184_100000722334 [0,1,1,0,0,0|2,0,0]=4 2269 B18R2.4091 Clc1ccsc1CNCCCc2ccccc2 2230a_100011934584_100000211621 [0,1,1,0,0,0|2,0,0]=4 2270 B18R2.4091 Clc1ccsc1CNCCCc2ccccc2 270004a_100000211184_100000722334 [0,1,1,0,0,0|2,0,0]=4 2271 B18R2.4091 Clc1ccsc1CNCCCc2ccccc2 34a_100011934584_100000211621 [0,1,1,0,0,0|2,0,0]=4 2272 B18R2.4091 Clc1sccc1CNCCCc2ccccc2 207a_100000211184_100000089901 [0,1,1,0,0,0|2,0,0]=4 2273 B18R2.4091 Clc1sccc1CNCCCc2ccccc2 2230a_100000211184_100010167017 [0,1,1,0,0,0|2,0,0]=4 2274 B18R2.4091 Clc1sccc1CNCCCc2ccccc2 270004a_100000211184_100000089901 [0,1,1,0,0,0|2,0,0]=4 2275 B18R2.4091 Clc1sccc1CNCCCc2ccccc2 34a_100000211184_100010167017 [0,1,1,0,0,0|2,0,0]=4 2276 B18R2.4091 Clc1snnc1CNCCCc2ccccc2 2230a_100000211184_100000018852 [0,1,1,0,0,0|2,0,0]=4 2277 B18R2.4091 Cn1cccc1CNCCCc2ccccc2 270004a_100000211184_100000211633 [0,1,1,0,0,0|1,0,1]=4 2278 B18R2.4091 Cn1cccc1CNCCCc2ccccc2 34a_100011219357_100000211621 [0,1,1,0,0,0|1,0,1]=4 2279 B18R2.4091 Cn1ccnc1CNCCCc2ccccc2 207a_100000211184_100000748660 [0,1,1,0,0,0|2,0,0]=4 2280 B18R2.4091 Cn1ccnc1CNCCCc2ccccc2 2230a_100000211184_100000700302 [0,1,1,0,0,0|2,0,0]=4 2281 B18R2.4091 Cn1ccnc1CNCCCc2ccccc2 2230a_100015186572_100000211621 [0,1,1,0,0,0|2,0,0]=4 2282 B18R2.4091 Cn1ccnc1CNCCCc2ccccc2 270004a_100000211184_100000748660 [0,1,1,0,0,0|2,0,0]=4 2283 B18R2.4091 Cn1ccnc1CNCCCc2ccccc2 34a_100000211184_100000700302 [0,1,1,0,0,0|2,0,0]=4 2284 B18R2.4091 Cn1cncc1CNCCCc2ccccc2 207a_100000211184_100000750899 [0,1,1,0,0,0|0,0,2]=4 2285 B18R2.4091 Cn1cncc1CNCCCc2ccccc2 270004a_100000211184_100000750899 [0,1,1,0,0,0|0,0,2]=4 2286 B18R2.7188 CC(NCCCc1ccccc1)c2cc[nH]c2 269862a_100000211184_100000753940 [0,1,1,0,0,0|1,0,0]=3 2287 B18R2.7188 CC(NCCCc1ccccc1)c2ccc[nH]2 269862a_100000211184_100000183661 [0,1,1,0,0,0|1,0,1]=4 2288 B18R2.7188 CC(NCCCc1ccccc1)c2cccs2 2230a_100000703493_100000211621 [0,1,1,0,0,0|2,0,0]=4 2289 B18R2.7188 CC(NCCCc1ccccc1)c2cccs2 269862a_100000211184_100000185736 [0,1,1,0,0,0|2,0,0]=4 2290 B18R2.7188 CC(NCCCc1ccccc1)c2ccoc2 2230a_100000690049_100000211621 [0,1,1,0,0,0|2,0,0]=4 2291 B18R2.7188 CC(NCCCc1ccccc1)c2ccsc2 2230a_100000748604_100000211621 [0,1,1,0,0,0|2,0,0]=4 2292 B18R2.7188 CC(NCCCc1ccccc1)c2ccsc2 269862a_100000211184_100000747891 [0,1,1,0,0,0|2,0,0]=4 2293 B18R2.7188 CC(NCCCc1ccccc1)c2cn[nH]c2 269862a_100000211184_100000725364 [0,1,1,0,0,0|2,0,0]=4 2294 B18R2.7188 CC(NCCCc1ccccc1)c2cscn2 269862a_100000211184_100000693406 [0,1,1,0,0,0|1,0,0]=3 2295 B18R2.7188 CC(NCCCc1ccccc1)c2ncc[nH]2 269862a_100000211184_100000718901 [0,1,1,0,0,0|2,0,0]=4 2296 B18R2.7188 CC(NCCCc1ccccc1)c2nccs2 2230a_100000725601_100000211621 [0,1,1,0,0,0|2,0,0]=4 2297 B18R2.7188 CC(NCCCc1ccccn1)c2cc[nH]c2 269862a_100000689020_100000753940 [0,1,1,0,0,0|2,0,0]=4 2298 B18R2.7188 CC(NCCCc1ccccn1)c2cscn2 269862a_100000689020_100000693406 [0,1,1,0,0,0|2,0,0]=4 2299 B18R2.7188 CC(NCCCc1cccnc1)c2cc[nH]c2 269862a_100011532358_100000753940 [0,1,1,0,0,0|2,0,0]=4 2300 B18R2.7188 CC(NCCCc1cccnc1)c2cscn2 269862a_100011532358_100000693406 [0,1,1,0,0,0|2,0,0]=4 2301 B18R2.7188 CC(NCCCc1ccncc1)c2cc[nH]c2 269862a_100011275580_100000753940 [0,1,1,0,0,0|2,0,0]=4 2302 B18R2.7188 CC(NCCCc1ccncc1)c2cscn2 269862a_100011275580_100000693406 [0,1,1,0,0,0|2,0,0]=4 2303 B18R2.7188 CC(NCCOc1ccccc1)c2cc[nH]c2 269862a_100000174943_100000753940 [0,1,1,0,0,0|2,0,0]=4 2304 B18R2.7188 CC(NCCOc1ccccc1)c2cscn2 269862a_100000174943_100000693406 [0,1,1,0,0,0|2,0,0]=4 2305 B18R2.7188 CC(NCCSc1ccccc1)c2cc[nH]c2 269862a_100000189519_100000753940 [0,1,1,0,0,0|2,0,0]=4 2306 B18R2.7188 CC(NCCSc1ccccc1)c2cscn2 269862a_100000189519_100000693406 [0,1,1,0,0,0|2,0,0]=4 2307 B18R2.7188 C[C@@H](NCCCc1ccccc1)c2ccco2 2230a_100160469435_100000211621 [0,1,1,0,0,0|2,0,0]=4 2308 B18R2.8990 Brc1ccc(cc1)CCCCSc2c[nH]cn2 62a_100000756875_200012094861 [0,1,1,0,0,0|2,0,0]=4 2309 B18R2.8990 Brc1ccc(cc1)CCCCSc2c[nH]cn2 62a_200012094861_100000756875 [0,1,1,0,0,0|2,0,0]=4 2310 B18R2.8990 Brc1ccc(cc1)CCCNCc2c[nH]cn2 2230a_100011297623_100000707719 [0,1,1,0,0,0|0,0,0]=2 2311 B18R2.8990 Brc1ccc(cc1)CCCNCc2c[nH]cn2 34a_100011297623_100000707719 [0,1,1,0,0,0|0,0,0]=2 2312 B18R2.8990 Brc1ccc(cc1)CCCNCc2cc[nH]n2 207a_100011297623_100000738523 [0,1,1,0,0,0|2,0,0]=4 2313 B18R2.8990 Brc1ccc(cc1)CCCNCc2cc[nH]n2 270004a_100011297623_100000738523 [0,1,1,0,0,0|2,0,0]=4 2314 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccco2 207a_100011297623_100000186105 [0,1,1,0,0,0|2,0,0]=4 2315 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccco2 2230a_100000185738_100011713682 [0,1,1,0,0,0|2,0,0]=4 2316 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccco2 270004a_100011297623_100000186105 [0,1,1,0,0,0|2,0,0]=4 2317 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccco2 34a_100000185738_100011713682 [0,1,1,0,0,0|2,0,0]=4 2318 B18R2.8990 Brc1ccc(cc1)CCCNCc2cccs2 207a_100011297623_100000209959 [0,1,1,0,0,0|2,0,0]=4 2319 B18R2.8990 Brc1ccc(cc1)CCCNCc2cccs2 2230a_100000211653_100011713682 [0,1,1,0,0,0|2,0,0]=4 2320 B18R2.8990 Brc1ccc(cc1)CCCNCc2cccs2 270004a_100011297623_100000209959 [0,1,1,0,0,0|2,0,0]=4 2321 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccoc2 207a_100011297623_100011215517 [0,1,1,0,0,0|2,0,0]=4 2322 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccoc2 2230a_100015206860_100011713682 [0,1,1,0,0,0|2,0,0]=4 2323 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccoc2 270004a_100011297623_100011215517 [0,1,1,0,0,0|2,0,0]=4 2324 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccoc2 34a_100015206860_100011713682 [0,1,1,0,0,0|2,0,0]=4 2325 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccon2 2230a_100011297623_100000234950 [0,1,1,0,0,0|2,0,0]=4 2326 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccon2 34a_100011297623_100000234950 [0,1,1,0,0,0|2,0,0]=4 2327 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccsc2 207a_100011297623_100000188534 [0,1,1,0,0,0|2,0,0]=4 2328 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccsc2 2230a_100000186416_100011713682 [0,1,1,0,0,0|2,0,0]=4 2329 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccsc2 2230a_100011297623_100011261437 [0,1,1,0,0,0|2,0,0]=4 2330 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccsc2 270004a_100011297623_100000188534 [0,1,1,0,0,0|2,0,0]=4 2331 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccsc2 34a_100000186416_100011713682 [0,1,1,0,0,0|2,0,0]=4 2332 B18R2.8990 Brc1ccc(cc1)CCCNCc2ccsc2 34a_100011297623_100011261437 [0,1,1,0,0,0|2,0,0]=4 2333 B18R2.8990 Brc1ccc(cc1)CCCNCc2cn[nH]c2 207a_100011297623_100016992096 [0,1,1,0,0,0|2,0,0]=4 2334 B18R2.8990 Brc1ccc(cc1)CCCNCc2cn[nH]c2 270004a_100011297623_100016992096 [0,1,1,0,0,0|2,0,0]=4 2335 B18R2.8990 Brc1ccc(cc1)CCCNCc2cnc[nH]2 207a_100011297623_100000742939 [0,1,1,0,0,0|0,0,2]=4 2336 B18R2.8990 Brc1ccc(cc1)CCCNCc2cnco2 270004a_100011297623_100000064291 [0,1,1,0,0,0|1,0,1]=4 2337 B18R2.8990 Brc1ccc(cc1)CCCNCc2cncs2 207a_100011297623_100000749870 [0,1,1,0,0,0|1,0,1]=4 2338 B18R2.8990 Brc1ccc(cc1)CCCNCc2cncs2 2230a_100011297623_100015185245 [0,1,1,0,0,0|1,0,1]=4 2339 B18R2.8990 Brc1ccc(cc1)CCCNCc2cncs2 2230a_100016987365_100011713682 [0,1,1,0,0,0|1,0,1]=4 2340 B18R2.8990 Brc1ccc(cc1)CCCNCc2cncs2 270004a_100011297623_100000749870 [0,1,1,0,0,0|1,0,1]=4 2341 B18R2.8990 Brc1ccc(cc1)CCCNCc2cncs2 34a_100011297623_100015185245 [0,1,1,0,0,0|1,0,1]=4 2342 B18R2.8990 Brc1ccc(cc1)CCCNCc2cocn2 270004a_100011297623_100000050382 [0,1,1,0,0,0|1,0,0]=3 2343 B18R2.8990 Brc1ccc(cc1)CCCNCc2cscn2 207a_100011297623_100000743575 [0,1,1,0,0,0|1,0,0]=3 2344 B18R2.8990 Brc1ccc(cc1)CCCNCc2cscn2 2230a_100011297623_100000205941 [0,1,1,0,0,0|1,0,0]=3 2345 B18R2.8990 Brc1ccc(cc1)CCCNCc2cscn2 2230a_100015185402_100011713682 [0,1,1,0,0,0|1,0,0]=3 2346 B18R2.8990 Brc1ccc(cc1)CCCNCc2cscn2 270004a_100011297623_100000743575 [0,1,1,0,0,0|1,0,0]=3 2347 B18R2.8990 Brc1ccc(cc1)CCCNCc2cscn2 34a_100011297623_100000205941 [0,1,1,0,0,0|1,0,0]=3 2348 B18R2.8990 Brc1ccc(cc1)CCCNCc2csnn2 270004a_100011297623_100000738508 [0,1,1,0,0,0|2,0,0]=4 2349 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncc[nH]2 207a_100011297623_100000743867 [0,1,1,0,0,0|2,0,0]=4 2350 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncc[nH]2 2230a_100011297623_100016991755 [0,1,1,0,0,0|2,0,0]=4 2351 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncc[nH]2 34a_100011297623_100016991755 [0,1,1,0,0,0|2,0,0]=4 2352 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncco2 2230a_100011297623_103436540062 [0,1,1,0,0,0|2,0,0]=4 2353 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncco2 2230a_100016994969_100011713682 [0,1,1,0,0,0|2,0,0]=4 2354 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncco2 270004a_100011297623_100000064290 [0,1,1,0,0,0|2,0,0]=4 2355 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncco2 34a_100011297623_103436540062 [0,1,1,0,0,0|2,0,0]=4 2356 B18R2.8990 Brc1ccc(cc1)CCCNCc2nccs2 207a_100011297623_100000750902 [0,1,1,0,0,0|2,0,0]=4 2357 B18R2.8990 Brc1ccc(cc1)CCCNCc2nccs2 2230a_100000740555_100011713682 [0,1,1,0,0,0|2,0,0]=4 2358 B18R2.8990 Brc1ccc(cc1)CCCNCc2nccs2 2230a_100011297623_100015184050 [0,1,1,0,0,0|2,0,0]=4 2359 B18R2.8990 Brc1ccc(cc1)CCCNCc2nccs2 270004a_100011297623_100000750902 [0,1,1,0,0,0|2,0,0]=4 2360 B18R2.8990 Brc1ccc(cc1)CCCNCc2nccs2 34a_100011297623_100015184050 [0,1,1,0,0,0|2,0,0]=4 2361 B18R2.8990 Brc1ccc(cc1)CCCNCc2ncon2 34a_100011297623_100000233494 [0,1,1,0,0,0|2,0,0]=4 2362 B18R2.8990 Brc1ccc(cc1)CCCNCn2cncn2 2230a_100011297623_200020645497 [0,1,1,0,0,0|1,0,1]=4 2363 B18R2.8990 Brc1ccc(cc1)CCCNCn2cncn2 34a_100011297623_200020645497 [0,1,1,0,0,0|1,0,1]=4 2364 B18R2.8990 Brc1ccc(cc1)CCCOCc2c[nH]cn2 34a_100011709247_100000707719 [0,1,1,0,0,0|1,0,0]=3 2365 B18R2.8990 Brc1ccc(cc1)CCCOCc2cscn2 34a_100011709247_100000205941 [0,1,1,0,0,0|2,0,0]=4 2366 B18R2.8990 Brc1ccc(cc1)CCCOCc2cscn2 7a_100011709247_100000205941 [0,1,1,0,0,0|2,0,0]=4 2367 B18R2.8990 Brc1ccc(cc1)CCCSCc2c[nH]cn2 62a_100000707719_100011713682 [0,1,1,0,0,0|1,0,0]=3 2368 B18R2.8990 Brc1ccc(cc1)CCCSCc2c[nH]cn2 62a_100011713682_100000707719 [0,1,1,0,0,0|1,0,0]=3 2369 B18R2.8990 Brc1ccc(cc1)CCCSCc2cscn2 62a_100000205941_100011713682 [0,1,1,0,0,0|2,0,0]=4 2370 B18R2.8990 Brc1ccc(cc1)CCCSCc2cscn2 62a_100011713682_100000205941 [0,1,1,0,0,0|2,0,0]=4 2371 B18R2.8990 Brc1ccc(cc1)CCNCCc2c[nH]cn2 2230a_100000755846_100020628418 [0,1,1,0,0,0|2,0,0]=4 2372 B18R2.8990 Brc1ccc(cc1)CCOCCc2c[nH]cn2 7a_100000766406_100020628418 [0,1,1,0,0,0|2,0,0]=4 2373 B18R2.8990 Brc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100011740612_100020628418 [0,1,1,0,0,0|2,0,0]=4 2374 B18R2.8990 Brc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100020628418_100011740612 [0,1,1,0,0,0|2,0,0]=4 2375 B18R2.8990 Brc1ccc(cc1)OCCNCc2c[nH]cn2 2230a_100000746992_100000707719 [0,1,1,0,0,0|1,0,0]=3 2376 B18R2.8990 Brc1ccc(cc1)OCCNCc2c[nH]cn2 34a_100000746992_100000707719 [0,1,1,0,0,0|1,0,0]=3 2377 B18R2.8990 Brc1ccc(cc1)OCCNCc2cocn2 270004a_100000746992_100000050382 [0,1,1,0,0,0|2,0,0]=4 2378 B18R2.8990 Brc1ccc(cc1)OCCNCc2cscn2 207a_100000746992_100000743575 [0,1,1,0,0,0|2,0,0]=4 2379 B18R2.8990 Brc1ccc(cc1)OCCNCc2cscn2 2230a_100000746992_100000205941 [0,1,1,0,0,0|2,0,0]=4 2380 B18R2.8990 Brc1ccc(cc1)OCCNCc2cscn2 2230a_100015185402_100000183278 [0,1,1,0,0,0|2,0,0]=4 2381 B18R2.8990 Brc1ccc(cc1)OCCNCc2cscn2 270004a_100000746992_100000743575 [0,1,1,0,0,0|2,0,0]=4 2382 B18R2.8990 Brc1ccc(cc1)OCCNCc2cscn2 34a_100000746992_100000205941 [0,1,1,0,0,0|2,0,0]=4 2383 B18R2.8990 Brc1ccc(cc1)OCCOCc2c[nH]cn2 34a_100000686261_100000707719 [0,1,1,0,0,0|2,0,0]=4 2384 B18R2.8990 Brc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000183278_100000707719 [0,1,1,0,0,0|2,0,0]=4 2385 B18R2.8990 Brc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000707719_100000183278 [0,1,1,0,0,0|2,0,0]=4 2386 B18R2.8990 Brc1ccc(cc1)SCCNCc2c[nH]cn2 2230a_100000184645_100000707719 [0,1,1,0,0,0|1,0,0]=3 2387 B18R2.8990 Brc1ccc(cc1)SCCNCc2cocn2 270004a_100000184645_100000050382 [0,1,1,0,0,0|2,0,0]=4 2388 B18R2.8990 Brc1ccc(cc1)SCCNCc2cscn2 207a_100000184645_100000743575 [0,1,1,0,0,0|2,0,0]=4 2389 B18R2.8990 Brc1ccc(cc1)SCCNCc2cscn2 2230a_100000184645_100000205941 [0,1,1,0,0,0|2,0,0]=4 2390 B18R2.8990 Brc1ccc(cc1)SCCNCc2cscn2 270004a_100000184645_100000743575 [0,1,1,0,0,0|2,0,0]=4 2391 B18R2.8990 Cc1ccc(cc1)CCCNCc2c[nH]cn2 2230a_100011236272_100000707719 [0,1,1,0,0,0|0,0,0]=2 2392 B18R2.8990 Cc1ccc(cc1)CCCNCc2c[nH]cn2 34a_100011236272_100000707719 [0,1,1,0,0,0|0,0,0]=2 2393 B18R2.8990 Cc1ccc(cc1)CCCNCc2cc[nH]n2 207a_100011236272_100000738523 [0,1,1,0,0,0|2,0,0]=4 2394 B18R2.8990 Cc1ccc(cc1)CCCNCc2cc[nH]n2 270004a_100011236272_100000738523 [0,1,1,0,0,0|2,0,0]=4 2395 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccco2 207a_100011236272_100000186105 [0,1,1,0,0,0|2,0,0]=4 2396 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccco2 270004a_100011236272_100000186105 [0,1,1,0,0,0|2,0,0]=4 2397 B18R2.8990 Cc1ccc(cc1)CCCNCc2cccs2 207a_100011236272_100000209959 [0,1,1,0,0,0|2,0,0]=4 2398 B18R2.8990 Cc1ccc(cc1)CCCNCc2cccs2 270004a_100011236272_100000209959 [0,1,1,0,0,0|2,0,0]=4 2399 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccoc2 207a_100011236272_100011215517 [0,1,1,0,0,0|2,0,0]=4 2400 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccoc2 270004a_100011236272_100011215517 [0,1,1,0,0,0|2,0,0]=4 2401 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccon2 2230a_100011236272_100000234950 [0,1,1,0,0,0|2,0,0]=4 2402 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccon2 34a_100011236272_100000234950 [0,1,1,0,0,0|2,0,0]=4 2403 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccsc2 207a_100011236272_100000188534 [0,1,1,0,0,0|2,0,0]=4 2404 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccsc2 2230a_100011236272_100011261437 [0,1,1,0,0,0|2,0,0]=4 2405 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccsc2 270004a_100011236272_100000188534 [0,1,1,0,0,0|2,0,0]=4 2406 B18R2.8990 Cc1ccc(cc1)CCCNCc2ccsc2 34a_100011236272_100011261437 [0,1,1,0,0,0|2,0,0]=4 2407 B18R2.8990 Cc1ccc(cc1)CCCNCc2cn[nH]c2 207a_100011236272_100016992096 [0,1,1,0,0,0|2,0,0]=4 2408 B18R2.8990 Cc1ccc(cc1)CCCNCc2cn[nH]c2 270004a_100011236272_100016992096 [0,1,1,0,0,0|2,0,0]=4 2409 B18R2.8990 Cc1ccc(cc1)CCCNCc2cnc[nH]2 207a_100011236272_100000742939 [0,1,1,0,0,0|0,0,2]=4 2410 B18R2.8990 Cc1ccc(cc1)CCCNCc2cnco2 270004a_100011236272_100000064291 [0,1,1,0,0,0|1,0,1]=4 2411 B18R2.8990 Cc1ccc(cc1)CCCNCc2cncs2 207a_100011236272_100000749870 [0,1,1,0,0,0|1,0,1]=4 2412 B18R2.8990 Cc1ccc(cc1)CCCNCc2cncs2 2230a_100011236272_100015185245 [0,1,1,0,0,0|1,0,1]=4 2413 B18R2.8990 Cc1ccc(cc1)CCCNCc2cncs2 270004a_100011236272_100000749870 [0,1,1,0,0,0|1,0,1]=4 2414 B18R2.8990 Cc1ccc(cc1)CCCNCc2cncs2 34a_100011236272_100015185245 [0,1,1,0,0,0|1,0,1]=4 2415 B18R2.8990 Cc1ccc(cc1)CCCNCc2cocn2 270004a_100011236272_100000050382 [0,1,1,0,0,0|1,0,0]=3 2416 B18R2.8990 Cc1ccc(cc1)CCCNCc2cscn2 207a_100011236272_100000743575 [0,1,1,0,0,0|1,0,0]=3 2417 B18R2.8990 Cc1ccc(cc1)CCCNCc2cscn2 2230a_100011236272_100000205941 [0,1,1,0,0,0|1,0,0]=3 2418 B18R2.8990 Cc1ccc(cc1)CCCNCc2cscn2 270004a_100011236272_100000743575 [0,1,1,0,0,0|1,0,0]=3 2419 B18R2.8990 Cc1ccc(cc1)CCCNCc2cscn2 34a_100011236272_100000205941 [0,1,1,0,0,0|1,0,0]=3 2420 B18R2.8990 Cc1ccc(cc1)CCCNCc2csnn2 270004a_100011236272_100000738508 [0,1,1,0,0,0|2,0,0]=4 2421 B18R2.8990 Cc1ccc(cc1)CCCNCc2ncc[nH]2 207a_100011236272_100000743867 [0,1,1,0,0,0|2,0,0]=4 2422 B18R2.8990 Cc1ccc(cc1)CCCNCc2ncc[nH]2 2230a_100011236272_100016991755 [0,1,1,0,0,0|2,0,0]=4 2423 B18R2.8990 Cc1ccc(cc1)CCCNCc2ncc[nH]2 34a_100011236272_100016991755 [0,1,1,0,0,0|2,0,0]=4 2424 B18R2.8990 Cc1ccc(cc1)CCCNCc2ncco2 2230a_100011236272_103436540062 [0,1,1,0,0,0|2,0,0]=4 2425 B18R2.8990 Cc1ccc(cc1)CCCNCc2ncco2 270004a_100011236272_100000064290 [0,1,1,0,0,0|2,0,0]=4 2426 B18R2.8990 Cc1ccc(cc1)CCCNCc2ncco2 34a_100011236272_103436540062 [0,1,1,0,0,0|2,0,0]=4 2427 B18R2.8990 Cc1ccc(cc1)CCCNCc2nccs2 207a_100011236272_100000750902 [0,1,1,0,0,0|2,0,0]=4 2428 B18R2.8990 Cc1ccc(cc1)CCCNCc2nccs2 2230a_100011236272_100015184050 [0,1,1,0,0,0|2,0,0]=4 2429 B18R2.8990 Cc1ccc(cc1)CCCNCc2nccs2 270004a_100011236272_100000750902 [0,1,1,0,0,0|2,0,0]=4 2430 B18R2.8990 Cc1ccc(cc1)CCCNCc2nccs2 34a_100011236272_100015184050 [0,1,1,0,0,0|2,0,0]=4 2431 B18R2.8990 Cc1ccc(cc1)CCCNCc2ncon2 34a_100011236272_100000233494 [0,1,1,0,0,0|2,0,0]=4 2432 B18R2.8990 Cc1ccc(cc1)CCCNCn2cncn2 2230a_100011236272_200020645497 [0,1,1,0,0,0|1,0,1]=4 2433 B18R2.8990 Cc1ccc(cc1)CCCNCn2cncn2 34a_100011236272_200020645497 [0,1,1,0,0,0|1,0,1]=4 2434 B18R2.8990 Cc1ccc(cc1)CCCOCc2c[nH]cn2 34a_100000189427_100000707719 [0,1,1,0,0,0|1,0,0]=3 2435 B18R2.8990 Cc1ccc(cc1)CCCOCc2cscn2 34a_100000189427_100000205941 [0,1,1,0,0,0|2,0,0]=4 2436 B18R2.8990 Cc1ccc(cc1)CCCOCc2cscn2 7a_100000189427_100000205941 [0,1,1,0,0,0|2,0,0]=4 2437 B18R2.8990 Cc1ccc(cc1)CCNCCc2c[nH]cn2 2230a_100000705350_100020628418 [0,1,1,0,0,0|2,0,0]=4 2438 B18R2.8990 Cc1ccc(cc1)CCOCCc2c[nH]cn2 7a_100000756670_100020628418 [0,1,1,0,0,0|2,0,0]=4 2439 B18R2.8990 Cc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100011713686_100020628418 [0,1,1,0,0,0|2,0,0]=4 2440 B18R2.8990 Cc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100020628418_100011713686 [0,1,1,0,0,0|2,0,0]=4 2441 B18R2.8990 Cc1ccc(cc1)OCCNCc2c[nH]cn2 2230a_100020666663_100000707719 [0,1,1,0,0,0|1,0,0]=3 2442 B18R2.8990 Cc1ccc(cc1)OCCNCc2c[nH]cn2 34a_100020666663_100000707719 [0,1,1,0,0,0|1,0,0]=3 2443 B18R2.8990 Cc1ccc(cc1)OCCNCc2cocn2 270004a_100020666663_100000050382 [0,1,1,0,0,0|2,0,0]=4 2444 B18R2.8990 Cc1ccc(cc1)OCCNCc2cscn2 207a_100020666663_100000743575 [0,1,1,0,0,0|2,0,0]=4 2445 B18R2.8990 Cc1ccc(cc1)OCCNCc2cscn2 2230a_100015185402_100000183172 [0,1,1,0,0,0|2,0,0]=4 2446 B18R2.8990 Cc1ccc(cc1)OCCNCc2cscn2 2230a_100020666663_100000205941 [0,1,1,0,0,0|2,0,0]=4 2447 B18R2.8990 Cc1ccc(cc1)OCCNCc2cscn2 270004a_100020666663_100000743575 [0,1,1,0,0,0|2,0,0]=4 2448 B18R2.8990 Cc1ccc(cc1)OCCNCc2cscn2 34a_100020666663_100000205941 [0,1,1,0,0,0|2,0,0]=4 2449 B18R2.8990 Cc1ccc(cc1)OCCOCc2c[nH]cn2 34a_100011219107_100000707719 [0,1,1,0,0,0|2,0,0]=4 2450 B18R2.8990 Cc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000183172_100000707719 [0,1,1,0,0,0|2,0,0]=4 2451 B18R2.8990 Cc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000707719_100000183172 [0,1,1,0,0,0|2,0,0]=4 2452 B18R2.8990 Cc1ccc(cc1)SCCNCc2c[nH]cn2 2230a_100000739754_100000707719 [0,1,1,0,0,0|1,0,0]=3 2453 B18R2.8990 Cc1ccc(cc1)SCCNCc2cocn2 270004a_100000739754_100000050382 [0,1,1,0,0,0|2,0,0]=4 2454 B18R2.8990 Cc1ccc(cc1)SCCNCc2cscn2 207a_100000739754_100000743575 [0,1,1,0,0,0|2,0,0]=4 2455 B18R2.8990 Cc1ccc(cc1)SCCNCc2cscn2 2230a_100000739754_100000205941 [0,1,1,0,0,0|2,0,0]=4 2456 B18R2.8990 Cc1ccc(cc1)SCCNCc2cscn2 270004a_100000739754_100000743575 [0,1,1,0,0,0|2,0,0]=4 2457 B18R2.8990 Cc1ccc(cc1)SCCOCc2c[nH]cn2 34a_200000230582_100000707719 [0,1,1,0,0,0|2,0,0]=4 2458 B18R2.8990 Clc1ccc(cc1)C#CCNCc2c[nH]cn2 2230a_100011352944_100000707719 [0,1,1,0,0,0|0,0,2]=4 2459 B18R2.8990 Clc1ccc(cc1)C#CCNCc2c[nH]cn2 34a_100011352944_100000707719 [0,1,1,0,0,0|0,0,2]=4 2460 B18R2.8990 Clc1ccc(cc1)CCCNCc2c[nH]cn2 2230a_100000748451_100000707719 [0,1,1,0,0,0|0,0,0]=2 2461 B18R2.8990 Clc1ccc(cc1)CCCNCc2c[nH]cn2 34a_100000748451_100000707719 [0,1,1,0,0,0|0,0,0]=2 2462 B18R2.8990 Clc1ccc(cc1)CCCNCc2cc[nH]n2 207a_100000748451_100000738523 [0,1,1,0,0,0|2,0,0]=4 2463 B18R2.8990 Clc1ccc(cc1)CCCNCc2cc[nH]n2 270004a_100000748451_100000738523 [0,1,1,0,0,0|2,0,0]=4 2464 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccco2 207a_100000748451_100000186105 [0,1,1,0,0,0|2,0,0]=4 2465 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccco2 2230a_100000185738_100000759440 [0,1,1,0,0,0|2,0,0]=4 2466 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccco2 270004a_100000748451_100000186105 [0,1,1,0,0,0|2,0,0]=4 2467 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccco2 34a_100000185738_100000759440 [0,1,1,0,0,0|2,0,0]=4 2468 B18R2.8990 Clc1ccc(cc1)CCCNCc2cccs2 207a_100000748451_100000209959 [0,1,1,0,0,0|2,0,0]=4 2469 B18R2.8990 Clc1ccc(cc1)CCCNCc2cccs2 2230a_100000211653_100000759440 [0,1,1,0,0,0|2,0,0]=4 2470 B18R2.8990 Clc1ccc(cc1)CCCNCc2cccs2 270004a_100000748451_100000209959 [0,1,1,0,0,0|2,0,0]=4 2471 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccoc2 207a_100000748451_100011215517 [0,1,1,0,0,0|2,0,0]=4 2472 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccoc2 2230a_100015206860_100000759440 [0,1,1,0,0,0|2,0,0]=4 2473 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccoc2 270004a_100000748451_100011215517 [0,1,1,0,0,0|2,0,0]=4 2474 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccoc2 34a_100015206860_100000759440 [0,1,1,0,0,0|2,0,0]=4 2475 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccon2 2230a_100000748451_100000234950 [0,1,1,0,0,0|2,0,0]=4 2476 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccon2 34a_100000748451_100000234950 [0,1,1,0,0,0|2,0,0]=4 2477 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccsc2 207a_100000748451_100000188534 [0,1,1,0,0,0|2,0,0]=4 2478 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccsc2 2230a_100000186416_100000759440 [0,1,1,0,0,0|2,0,0]=4 2479 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccsc2 2230a_100000748451_100011261437 [0,1,1,0,0,0|2,0,0]=4 2480 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccsc2 270004a_100000748451_100000188534 [0,1,1,0,0,0|2,0,0]=4 2481 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccsc2 34a_100000186416_100000759440 [0,1,1,0,0,0|2,0,0]=4 2482 B18R2.8990 Clc1ccc(cc1)CCCNCc2ccsc2 34a_100000748451_100011261437 [0,1,1,0,0,0|2,0,0]=4 2483 B18R2.8990 Clc1ccc(cc1)CCCNCc2cn[nH]c2 207a_100000748451_100016992096 [0,1,1,0,0,0|2,0,0]=4 2484 B18R2.8990 Clc1ccc(cc1)CCCNCc2cn[nH]c2 270004a_100000748451_100016992096 [0,1,1,0,0,0|2,0,0]=4 2485 B18R2.8990 Clc1ccc(cc1)CCCNCc2cnc[nH]2 207a_100000748451_100000742939 [0,1,1,0,0,0|0,0,2]=4 2486 B18R2.8990 Clc1ccc(cc1)CCCNCc2cnco2 270004a_100000748451_100000064291 [0,1,1,0,0,0|1,0,1]=4 2487 B18R2.8990 Clc1ccc(cc1)CCCNCc2cncs2 207a_100000748451_100000749870 [0,1,1,0,0,0|1,0,1]=4 2488 B18R2.8990 Clc1ccc(cc1)CCCNCc2cncs2 2230a_100000748451_100015185245 [0,1,1,0,0,0|1,0,1]=4 2489 B18R2.8990 Clc1ccc(cc1)CCCNCc2cncs2 2230a_100016987365_100000759440 [0,1,1,0,0,0|1,0,1]=4 2490 B18R2.8990 Clc1ccc(cc1)CCCNCc2cncs2 270004a_100000748451_100000749870 [0,1,1,0,0,0|1,0,1]=4 2491 B18R2.8990 Clc1ccc(cc1)CCCNCc2cncs2 34a_100000748451_100015185245 [0,1,1,0,0,0|1,0,1]=4 2492 B18R2.8990 Clc1ccc(cc1)CCCNCc2cocn2 270004a_100000748451_100000050382 [0,1,1,0,0,0|1,0,0]=3 2493 B18R2.8990 Clc1ccc(cc1)CCCNCc2cscn2 207a_100000748451_100000743575 [0,1,1,0,0,0|1,0,0]=3 2494 B18R2.8990 Clc1ccc(cc1)CCCNCc2cscn2 2230a_100000748451_100000205941 [0,1,1,0,0,0|1,0,0]=3 2495 B18R2.8990 Clc1ccc(cc1)CCCNCc2cscn2 2230a_100015185402_100000759440 [0,1,1,0,0,0|1,0,0]=3 2496 B18R2.8990 Clc1ccc(cc1)CCCNCc2cscn2 270004a_100000748451_100000743575 [0,1,1,0,0,0|1,0,0]=3 2497 B18R2.8990 Clc1ccc(cc1)CCCNCc2cscn2 34a_100000748451_100000205941 [0,1,1,0,0,0|1,0,0]=3 2498 B18R2.8990 Clc1ccc(cc1)CCCNCc2csnn2 270004a_100000748451_100000738508 [0,1,1,0,0,0|2,0,0]=4 2499 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncc[nH]2 207a_100000748451_100000743867 [0,1,1,0,0,0|2,0,0]=4 2500 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncc[nH]2 2230a_100000748451_100016991755 [0,1,1,0,0,0|2,0,0]=4 2501 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncc[nH]2 34a_100000748451_100016991755 [0,1,1,0,0,0|2,0,0]=4 2502 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncco2 2230a_100000748451_103436540062 [0,1,1,0,0,0|2,0,0]=4 2503 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncco2 2230a_100016994969_100000759440 [0,1,1,0,0,0|2,0,0]=4 2504 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncco2 270004a_100000748451_100000064290 [0,1,1,0,0,0|2,0,0]=4 2505 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncco2 34a_100000748451_103436540062 [0,1,1,0,0,0|2,0,0]=4 2506 B18R2.8990 Clc1ccc(cc1)CCCNCc2nccs2 207a_100000748451_100000750902 [0,1,1,0,0,0|2,0,0]=4 2507 B18R2.8990 Clc1ccc(cc1)CCCNCc2nccs2 2230a_100000740555_100000759440 [0,1,1,0,0,0|2,0,0]=4 2508 B18R2.8990 Clc1ccc(cc1)CCCNCc2nccs2 2230a_100000748451_100015184050 [0,1,1,0,0,0|2,0,0]=4 2509 B18R2.8990 Clc1ccc(cc1)CCCNCc2nccs2 270004a_100000748451_100000750902 [0,1,1,0,0,0|2,0,0]=4 2510 B18R2.8990 Clc1ccc(cc1)CCCNCc2nccs2 34a_100000748451_100015184050 [0,1,1,0,0,0|2,0,0]=4 2511 B18R2.8990 Clc1ccc(cc1)CCCNCc2ncon2 34a_100000748451_100000233494 [0,1,1,0,0,0|2,0,0]=4 2512 B18R2.8990 Clc1ccc(cc1)CCCNCn2cncn2 2230a_100000748451_200020645497 [0,1,1,0,0,0|1,0,1]=4 2513 B18R2.8990 Clc1ccc(cc1)CCCNCn2cncn2 34a_100000748451_200020645497 [0,1,1,0,0,0|1,0,1]=4 2514 B18R2.8990 Clc1ccc(cc1)CCCOCc2c[nH]cn2 34a_100011217485_100000707719 [0,1,1,0,0,0|1,0,0]=3 2515 B18R2.8990 Clc1ccc(cc1)CCCOCc2cscn2 34a_100011217485_100000205941 [0,1,1,0,0,0|2,0,0]=4 2516 B18R2.8990 Clc1ccc(cc1)CCCOCc2cscn2 7a_100011217485_100000205941 [0,1,1,0,0,0|2,0,0]=4 2517 B18R2.8990 Clc1ccc(cc1)CCCSCc2c[nH]cn2 62a_100000707719_100000759440 [0,1,1,0,0,0|1,0,0]=3 2518 B18R2.8990 Clc1ccc(cc1)CCCSCc2c[nH]cn2 62a_100000759440_100000707719 [0,1,1,0,0,0|1,0,0]=3 2519 B18R2.8990 Clc1ccc(cc1)CCCSCc2cscn2 62a_100000205941_100000759440 [0,1,1,0,0,0|2,0,0]=4 2520 B18R2.8990 Clc1ccc(cc1)CCCSCc2cscn2 62a_100000759440_100000205941 [0,1,1,0,0,0|2,0,0]=4 2521 B18R2.8990 Clc1ccc(cc1)CCNCCc2c[nH]cn2 2230a_100000185265_100020628418 [0,1,1,0,0,0|2,0,0]=4 2522 B18R2.8990 Clc1ccc(cc1)CCOCCc2c[nH]cn2 7a_100011219627_100020628418 [0,1,1,0,0,0|2,0,0]=4 2523 B18R2.8990 Clc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100011713675_100020628418 [0,1,1,0,0,0|2,0,0]=4 2524 B18R2.8990 Clc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100020628418_100011713675 [0,1,1,0,0,0|2,0,0]=4 2525 B18R2.8990 Clc1ccc(cc1)OCCNCc2c[nH]cn2 2230a_100000697975_100000707719 [0,1,1,0,0,0|1,0,0]=3 2526 B18R2.8990 Clc1ccc(cc1)OCCNCc2c[nH]cn2 34a_100000697975_100000707719 [0,1,1,0,0,0|1,0,0]=3 2527 B18R2.8990 Clc1ccc(cc1)OCCNCc2cocn2 270004a_100000697975_100000050382 [0,1,1,0,0,0|2,0,0]=4 2528 B18R2.8990 Clc1ccc(cc1)OCCNCc2cscn2 207a_100000697975_100000743575 [0,1,1,0,0,0|2,0,0]=4 2529 B18R2.8990 Clc1ccc(cc1)OCCNCc2cscn2 2230a_100000697975_100000205941 [0,1,1,0,0,0|2,0,0]=4 2530 B18R2.8990 Clc1ccc(cc1)OCCNCc2cscn2 2230a_100015185402_100000184122 [0,1,1,0,0,0|2,0,0]=4 2531 B18R2.8990 Clc1ccc(cc1)OCCNCc2cscn2 270004a_100000697975_100000743575 [0,1,1,0,0,0|2,0,0]=4 2532 B18R2.8990 Clc1ccc(cc1)OCCNCc2cscn2 34a_100000697975_100000205941 [0,1,1,0,0,0|2,0,0]=4 2533 B18R2.8990 Clc1ccc(cc1)OCCOCc2c[nH]cn2 34a_100000237962_100000707719 [0,1,1,0,0,0|2,0,0]=4 2534 B18R2.8990 Clc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000184122_100000707719 [0,1,1,0,0,0|2,0,0]=4 2535 B18R2.8990 Clc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000707719_100000184122 [0,1,1,0,0,0|2,0,0]=4 2536 B18R2.8990 Clc1ccc(cc1)SCCNCc2c[nH]cn2 2230a_100000174974_100000707719 [0,1,1,0,0,0|1,0,0]=3 2537 B18R2.8990 Clc1ccc(cc1)SCCNCc2cocn2 270004a_100000174974_100000050382 [0,1,1,0,0,0|2,0,0]=4 2538 B18R2.8990 Clc1ccc(cc1)SCCNCc2cscn2 207a_100000174974_100000743575 [0,1,1,0,0,0|2,0,0]=4 2539 B18R2.8990 Clc1ccc(cc1)SCCNCc2cscn2 2230a_100000174974_100000205941 [0,1,1,0,0,0|2,0,0]=4 2540 B18R2.8990 Clc1ccc(cc1)SCCNCc2cscn2 270004a_100000174974_100000743575 [0,1,1,0,0,0|2,0,0]=4 2541 B18R2.8990 Clc1ccc(cc1)SCCOCc2c[nH]cn2 34a_100000230527_100000707719 [0,1,1,0,0,0|2,0,0]=4 2542 B18R2.8990 Fc1ccc(cc1)CCCCSc2c[nH]cn2 62a_100000756875_100012093538 [0,1,1,0,0,0|2,0,0]=4 2543 B18R2.8990 Fc1ccc(cc1)CCCCSc2c[nH]cn2 62a_100012093538_100000756875 [0,1,1,0,0,0|2,0,0]=4 2544 B18R2.8990 Fc1ccc(cc1)CCCNCc2c[nH]cn2 2230a_100025745824_100000707719 [0,1,1,0,0,0|0,0,0]=2 2545 B18R2.8990 Fc1ccc(cc1)CCCNCc2c[nH]cn2 34a_100025745824_100000707719 [0,1,1,0,0,0|0,0,0]=2 2546 B18R2.8990 Fc1ccc(cc1)CCCNCc2cc[nH]n2 207a_100025745824_100000738523 [0,1,1,0,0,0|2,0,0]=4 2547 B18R2.8990 Fc1ccc(cc1)CCCNCc2cc[nH]n2 270004a_100025745824_100000738523 [0,1,1,0,0,0|2,0,0]=4 2548 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccco2 207a_100025745824_100000186105 [0,1,1,0,0,0|2,0,0]=4 2549 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccco2 2230a_100000185738_200011713563 [0,1,1,0,0,0|2,0,0]=4 2550 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccco2 270004a_100025745824_100000186105 [0,1,1,0,0,0|2,0,0]=4 2551 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccco2 34a_100000185738_200011713563 [0,1,1,0,0,0|2,0,0]=4 2552 B18R2.8990 Fc1ccc(cc1)CCCNCc2cccs2 207a_100025745824_100000209959 [0,1,1,0,0,0|2,0,0]=4 2553 B18R2.8990 Fc1ccc(cc1)CCCNCc2cccs2 2230a_100000211653_200011713563 [0,1,1,0,0,0|2,0,0]=4 2554 B18R2.8990 Fc1ccc(cc1)CCCNCc2cccs2 270004a_100025745824_100000209959 [0,1,1,0,0,0|2,0,0]=4 2555 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccoc2 207a_100025745824_100011215517 [0,1,1,0,0,0|2,0,0]=4 2556 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccoc2 2230a_100015206860_200011713563 [0,1,1,0,0,0|2,0,0]=4 2557 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccoc2 270004a_100025745824_100011215517 [0,1,1,0,0,0|2,0,0]=4 2558 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccoc2 34a_100015206860_200011713563 [0,1,1,0,0,0|2,0,0]=4 2559 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccon2 2230a_100025745824_100000234950 [0,1,1,0,0,0|2,0,0]=4 2560 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccon2 34a_100025745824_100000234950 [0,1,1,0,0,0|2,0,0]=4 2561 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccsc2 207a_100025745824_100000188534 [0,1,1,0,0,0|2,0,0]=4 2562 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccsc2 2230a_100000186416_200011713563 [0,1,1,0,0,0|2,0,0]=4 2563 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccsc2 2230a_100025745824_100011261437 [0,1,1,0,0,0|2,0,0]=4 2564 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccsc2 270004a_100025745824_100000188534 [0,1,1,0,0,0|2,0,0]=4 2565 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccsc2 34a_100000186416_200011713563 [0,1,1,0,0,0|2,0,0]=4 2566 B18R2.8990 Fc1ccc(cc1)CCCNCc2ccsc2 34a_100025745824_100011261437 [0,1,1,0,0,0|2,0,0]=4 2567 B18R2.8990 Fc1ccc(cc1)CCCNCc2cn[nH]c2 207a_100025745824_100016992096 [0,1,1,0,0,0|2,0,0]=4 2568 B18R2.8990 Fc1ccc(cc1)CCCNCc2cn[nH]c2 270004a_100025745824_100016992096 [0,1,1,0,0,0|2,0,0]=4 2569 B18R2.8990 Fc1ccc(cc1)CCCNCc2cnc[nH]2 207a_100025745824_100000742939 [0,1,1,0,0,0|0,0,2]=4 2570 B18R2.8990 Fc1ccc(cc1)CCCNCc2cnco2 270004a_100025745824_100000064291 [0,1,1,0,0,0|1,0,1]=4 2571 B18R2.8990 Fc1ccc(cc1)CCCNCc2cncs2 207a_100025745824_100000749870 [0,1,1,0,0,0|1,0,1]=4 2572 B18R2.8990 Fc1ccc(cc1)CCCNCc2cncs2 2230a_100016987365_200011713563 [0,1,1,0,0,0|1,0,1]=4 2573 B18R2.8990 Fc1ccc(cc1)CCCNCc2cncs2 2230a_100025745824_100015185245 [0,1,1,0,0,0|1,0,1]=4 2574 B18R2.8990 Fc1ccc(cc1)CCCNCc2cncs2 270004a_100025745824_100000749870 [0,1,1,0,0,0|1,0,1]=4 2575 B18R2.8990 Fc1ccc(cc1)CCCNCc2cncs2 34a_100025745824_100015185245 [0,1,1,0,0,0|1,0,1]=4 2576 B18R2.8990 Fc1ccc(cc1)CCCNCc2cocn2 270004a_100025745824_100000050382 [0,1,1,0,0,0|1,0,0]=3 2577 B18R2.8990 Fc1ccc(cc1)CCCNCc2cscn2 207a_100025745824_100000743575 [0,1,1,0,0,0|1,0,0]=3 2578 B18R2.8990 Fc1ccc(cc1)CCCNCc2cscn2 2230a_100015185402_200011713563 [0,1,1,0,0,0|1,0,0]=3 2579 B18R2.8990 Fc1ccc(cc1)CCCNCc2cscn2 2230a_100025745824_100000205941 [0,1,1,0,0,0|1,0,0]=3 2580 B18R2.8990 Fc1ccc(cc1)CCCNCc2cscn2 270004a_100025745824_100000743575 [0,1,1,0,0,0|1,0,0]=3 2581 B18R2.8990 Fc1ccc(cc1)CCCNCc2cscn2 34a_100025745824_100000205941 [0,1,1,0,0,0|1,0,0]=3 2582 B18R2.8990 Fc1ccc(cc1)CCCNCc2csnn2 270004a_100025745824_100000738508 [0,1,1,0,0,0|2,0,0]=4 2583 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncc[nH]2 207a_100025745824_100000743867 [0,1,1,0,0,0|2,0,0]=4 2584 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncc[nH]2 2230a_100025745824_100016991755 [0,1,1,0,0,0|2,0,0]=4 2585 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncc[nH]2 34a_100025745824_100016991755 [0,1,1,0,0,0|2,0,0]=4 2586 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncco2 2230a_100016994969_200011713563 [0,1,1,0,0,0|2,0,0]=4 2587 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncco2 2230a_100025745824_103436540062 [0,1,1,0,0,0|2,0,0]=4 2588 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncco2 270004a_100025745824_100000064290 [0,1,1,0,0,0|2,0,0]=4 2589 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncco2 34a_100025745824_103436540062 [0,1,1,0,0,0|2,0,0]=4 2590 B18R2.8990 Fc1ccc(cc1)CCCNCc2nccs2 207a_100025745824_100000750902 [0,1,1,0,0,0|2,0,0]=4 2591 B18R2.8990 Fc1ccc(cc1)CCCNCc2nccs2 2230a_100000740555_200011713563 [0,1,1,0,0,0|2,0,0]=4 2592 B18R2.8990 Fc1ccc(cc1)CCCNCc2nccs2 2230a_100025745824_100015184050 [0,1,1,0,0,0|2,0,0]=4 2593 B18R2.8990 Fc1ccc(cc1)CCCNCc2nccs2 270004a_100025745824_100000750902 [0,1,1,0,0,0|2,0,0]=4 2594 B18R2.8990 Fc1ccc(cc1)CCCNCc2nccs2 34a_100025745824_100015184050 [0,1,1,0,0,0|2,0,0]=4 2595 B18R2.8990 Fc1ccc(cc1)CCCNCc2ncon2 34a_100025745824_100000233494 [0,1,1,0,0,0|2,0,0]=4 2596 B18R2.8990 Fc1ccc(cc1)CCCNCn2cncn2 2230a_100025745824_200020645497 [0,1,1,0,0,0|1,0,1]=4 2597 B18R2.8990 Fc1ccc(cc1)CCCNCn2cncn2 34a_100025745824_200020645497 [0,1,1,0,0,0|1,0,1]=4 2598 B18R2.8990 Fc1ccc(cc1)CCCOCc2c[nH]cn2 34a_100000757351_100000707719 [0,1,1,0,0,0|1,0,0]=3 2599 B18R2.8990 Fc1ccc(cc1)CCCOCc2cscn2 34a_100000757351_100000205941 [0,1,1,0,0,0|2,0,0]=4 2600 B18R2.8990 Fc1ccc(cc1)CCCOCc2cscn2 7a_100000757351_100000205941 [0,1,1,0,0,0|2,0,0]=4 2601 B18R2.8990 Fc1ccc(cc1)CCCSCc2c[nH]cn2 62a_100000707719_200011713563 [0,1,1,0,0,0|1,0,0]=3 2602 B18R2.8990 Fc1ccc(cc1)CCCSCc2c[nH]cn2 62a_200011713563_100000707719 [0,1,1,0,0,0|1,0,0]=3 2603 B18R2.8990 Fc1ccc(cc1)CCCSCc2cscn2 62a_100000205941_200011713563 [0,1,1,0,0,0|2,0,0]=4 2604 B18R2.8990 Fc1ccc(cc1)CCCSCc2cscn2 62a_200011713563_100000205941 [0,1,1,0,0,0|2,0,0]=4 2605 B18R2.8990 Fc1ccc(cc1)CCNCCc2c[nH]cn2 2230a_100000199005_100020628418 [0,1,1,0,0,0|2,0,0]=4 2606 B18R2.8990 Fc1ccc(cc1)CCOCCc2c[nH]cn2 7a_100000754732_100020628418 [0,1,1,0,0,0|2,0,0]=4 2607 B18R2.8990 Fc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100011217392_100020628418 [0,1,1,0,0,0|2,0,0]=4 2608 B18R2.8990 Fc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100020628418_100011217392 [0,1,1,0,0,0|2,0,0]=4 2609 B18R2.8990 Fc1ccc(cc1)OCCNCc2c[nH]cn2 2230a_100000737420_100000707719 [0,1,1,0,0,0|1,0,0]=3 2610 B18R2.8990 Fc1ccc(cc1)OCCNCc2c[nH]cn2 34a_100000737420_100000707719 [0,1,1,0,0,0|1,0,0]=3 2611 B18R2.8990 Fc1ccc(cc1)OCCNCc2cocn2 270004a_100000737420_100000050382 [0,1,1,0,0,0|2,0,0]=4 2612 B18R2.8990 Fc1ccc(cc1)OCCNCc2cscn2 207a_100000737420_100000743575 [0,1,1,0,0,0|2,0,0]=4 2613 B18R2.8990 Fc1ccc(cc1)OCCNCc2cscn2 2230a_100000737420_100000205941 [0,1,1,0,0,0|2,0,0]=4 2614 B18R2.8990 Fc1ccc(cc1)OCCNCc2cscn2 2230a_100015185402_100000184936 [0,1,1,0,0,0|2,0,0]=4 2615 B18R2.8990 Fc1ccc(cc1)OCCNCc2cscn2 270004a_100000737420_100000743575 [0,1,1,0,0,0|2,0,0]=4 2616 B18R2.8990 Fc1ccc(cc1)OCCNCc2cscn2 34a_100000737420_100000205941 [0,1,1,0,0,0|2,0,0]=4 2617 B18R2.8990 Fc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000184936_100000707719 [0,1,1,0,0,0|2,0,0]=4 2618 B18R2.8990 Fc1ccc(cc1)OCCSCc2c[nH]cn2 62a_100000707719_100000184936 [0,1,1,0,0,0|2,0,0]=4 2619 B18R2.8990 Fc1ccc(cc1)SCCOCc2c[nH]cn2 34a_200000230679_100000707719 [0,1,1,0,0,0|2,0,0]=4 2620 B18R2.8990 Ic1ccc(cc1)CCOCCc2c[nH]cn2 7a_100012291149_100020628418 [0,1,1,0,0,0|2,0,0]=4 2621 B18R2.8990 Nc1ccc(cc1)OCCOCc2c[nH]cn2 34a_100000754363_100000707719 [0,1,1,0,0,0|2,0,0]=4 2622 B18R2.8990 Oc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100009816426_100020628418 [0,1,1,0,0,0|2,0,0]=4 2623 B18R2.8990 Oc1ccc(cc1)CCSCCc2c[nH]cn2 62a_100020628418_100009816426 [0,1,1,0,0,0|2,0,0]=4 2624 B18R2.11744 CC(CCc1ccccc1)NCc2c[nH]cn2 2230a_100000210798_100000707719 [0,1,1,0,0,0|0,0,0]=2 2625 B18R2.11744 CC(CCc1ccccc1)NCc2c[nH]cn2 34a_100000210798_100000707719 [0,1,1,0,0,0|0,0,0]=2 2626 B18R2.11744 CC(CCc1ccccc1)NCc2c[nH]nn2 270004a_100020620823_100000210092 [0,1,1,0,0,0|1,0,0]=3 2627 B18R2.11744 CC(CCc1ccccc1)NCc2cc[nH]n2 207a_100000210798_100000738523 [0,1,1,0,0,0|2,0,0]=4 2628 B18R2.11744 CC(CCc1ccccc1)NCc2cc[nH]n2 270004a_100000210798_100000738523 [0,1,1,0,0,0|2,0,0]=4 2629 B18R2.11744 CC(CCc1ccccc1)NCc2ccco2 207a_100000210798_100000186105 [0,1,1,0,0,0|2,0,0]=4 2630 B18R2.11744 CC(CCc1ccccc1)NCc2ccco2 270004a_100000185738_100000210092 [0,1,1,0,0,0|2,0,0]=4 2631 B18R2.11744 CC(CCc1ccccc1)NCc2ccco2 270004a_100000210798_100000186105 [0,1,1,0,0,0|2,0,0]=4 2632 B18R2.11744 CC(CCc1ccccc1)NCc2cccs2 207a_100000210798_100000209959 [0,1,1,0,0,0|2,0,0]=4 2633 B18R2.11744 CC(CCc1ccccc1)NCc2cccs2 270004a_100000210798_100000209959 [0,1,1,0,0,0|2,0,0]=4 2634 B18R2.11744 CC(CCc1ccccc1)NCc2cccs2 270004a_100000211653_100000210092 [0,1,1,0,0,0|2,0,0]=4 2635 B18R2.11744 CC(CCc1ccccc1)NCc2ccoc2 207a_100000210798_100011215517 [0,1,1,0,0,0|2,0,0]=4 2636 B18R2.11744 CC(CCc1ccccc1)NCc2ccoc2 270004a_100000210798_100011215517 [0,1,1,0,0,0|2,0,0]=4 2637 B18R2.11744 CC(CCc1ccccc1)NCc2ccoc2 270004a_100015206860_100000210092 [0,1,1,0,0,0|2,0,0]=4 2638 B18R2.11744 CC(CCc1ccccc1)NCc2ccon2 2230a_100000210798_100000234950 [0,1,1,0,0,0|2,0,0]=4 2639 B18R2.11744 CC(CCc1ccccc1)NCc2ccon2 270004a_100000688301_100000210092 [0,1,1,0,0,0|2,0,0]=4 2640 B18R2.11744 CC(CCc1ccccc1)NCc2ccon2 34a_100000210798_100000234950 [0,1,1,0,0,0|2,0,0]=4 2641 B18R2.11744 CC(CCc1ccccc1)NCc2ccsc2 207a_100000210798_100000188534 [0,1,1,0,0,0|2,0,0]=4 2642 B18R2.11744 CC(CCc1ccccc1)NCc2ccsc2 2230a_100000210798_100011261437 [0,1,1,0,0,0|2,0,0]=4 2643 B18R2.11744 CC(CCc1ccccc1)NCc2ccsc2 270004a_100000186416_100000210092 [0,1,1,0,0,0|2,0,0]=4 2644 B18R2.11744 CC(CCc1ccccc1)NCc2ccsc2 270004a_100000210798_100000188534 [0,1,1,0,0,0|2,0,0]=4 2645 B18R2.11744 CC(CCc1ccccc1)NCc2ccsc2 34a_100000210798_100011261437 [0,1,1,0,0,0|2,0,0]=4 2646 B18R2.11744 CC(CCc1ccccc1)NCc2cn[nH]c2 207a_100000210798_100016992096 [0,1,1,0,0,0|2,0,0]=4 2647 B18R2.11744 CC(CCc1ccccc1)NCc2cn[nH]c2 270004a_100000210798_100016992096 [0,1,1,0,0,0|2,0,0]=4 2648 B18R2.11744 CC(CCc1ccccc1)NCc2cn[nH]c2 270004a_100000737208_100000210092 [0,1,1,0,0,0|2,0,0]=4 2649 B18R2.11744 CC(CCc1ccccc1)NCc2cnc[nH]2 207a_100000210798_100000742939 [0,1,1,0,0,0|0,0,2]=4 2650 B18R2.11744 CC(CCc1ccccc1)NCc2cnco2 270004a_100000210798_100000064291 [0,1,1,0,0,0|1,0,1]=4 2651 B18R2.11744 CC(CCc1ccccc1)NCc2cnco2 270004a_100020634212_100000210092 [0,1,1,0,0,0|1,0,1]=4 2652 B18R2.11744 CC(CCc1ccccc1)NCc2cncs2 207a_100000210798_100000749870 [0,1,1,0,0,0|1,0,1]=4 2653 B18R2.11744 CC(CCc1ccccc1)NCc2cncs2 2230a_100000210798_100015185245 [0,1,1,0,0,0|1,0,1]=4 2654 B18R2.11744 CC(CCc1ccccc1)NCc2cncs2 270004a_100000210798_100000749870 [0,1,1,0,0,0|1,0,1]=4 2655 B18R2.11744 CC(CCc1ccccc1)NCc2cncs2 270004a_100016987365_100000210092 [0,1,1,0,0,0|1,0,1]=4 2656 B18R2.11744 CC(CCc1ccccc1)NCc2cncs2 34a_100000210798_100015185245 [0,1,1,0,0,0|1,0,1]=4 2657 B18R2.11744 CC(CCc1ccccc1)NCc2cocn2 270004a_100000210798_100000050382 [0,1,1,0,0,0|1,0,0]=3 2658 B18R2.11744 CC(CCc1ccccc1)NCc2cocn2 270004a_100015188801_100000210092 [0,1,1,0,0,0|1,0,0]=3 2659 B18R2.11744 CC(CCc1ccccc1)NCc2cscn2 207a_100000210798_100000743575 [0,1,1,0,0,0|1,0,0]=3 2660 B18R2.11744 CC(CCc1ccccc1)NCc2cscn2 2230a_100000210798_100000205941 [0,1,1,0,0,0|1,0,0]=3 2661 B18R2.11744 CC(CCc1ccccc1)NCc2cscn2 270004a_100000210798_100000743575 [0,1,1,0,0,0|1,0,0]=3 2662 B18R2.11744 CC(CCc1ccccc1)NCc2cscn2 34a_100000210798_100000205941 [0,1,1,0,0,0|1,0,0]=3 2663 B18R2.11744 CC(CCc1ccccc1)NCc2csnn2 270004a_100000210798_100000738508 [0,1,1,0,0,0|2,0,0]=4 2664 B18R2.11744 CC(CCc1ccccc1)NCc2ncc[nH]2 207a_100000210798_100000743867 [0,1,1,0,0,0|2,0,0]=4 2665 B18R2.11744 CC(CCc1ccccc1)NCc2ncc[nH]2 2230a_100000210798_100016991755 [0,1,1,0,0,0|2,0,0]=4 2666 B18R2.11744 CC(CCc1ccccc1)NCc2ncc[nH]2 270004a_100000754540_100000210092 [0,1,1,0,0,0|2,0,0]=4 2667 B18R2.11744 CC(CCc1ccccc1)NCc2ncc[nH]2 34a_100000210798_100016991755 [0,1,1,0,0,0|2,0,0]=4 2668 B18R2.11744 CC(CCc1ccccc1)NCc2ncco2 2230a_100000210798_103436540062 [0,1,1,0,0,0|2,0,0]=4 2669 B18R2.11744 CC(CCc1ccccc1)NCc2ncco2 270004a_100000210798_100000064290 [0,1,1,0,0,0|2,0,0]=4 2670 B18R2.11744 CC(CCc1ccccc1)NCc2ncco2 34a_100000210798_103436540062 [0,1,1,0,0,0|2,0,0]=4 2671 B18R2.11744 CC(CCc1ccccc1)NCc2nccs2 207a_100000210798_100000750902 [0,1,1,0,0,0|2,0,0]=4 2672 B18R2.11744 CC(CCc1ccccc1)NCc2nccs2 2230a_100000210798_100015184050 [0,1,1,0,0,0|2,0,0]=4 2673 B18R2.11744 CC(CCc1ccccc1)NCc2nccs2 270004a_100000210798_100000750902 [0,1,1,0,0,0|2,0,0]=4 2674 B18R2.11744 CC(CCc1ccccc1)NCc2nccs2 270004a_100000740555_100000210092 [0,1,1,0,0,0|2,0,0]=4 2675 B18R2.11744 CC(CCc1ccccc1)NCc2nccs2 34a_100000210798_100015184050 [0,1,1,0,0,0|2,0,0]=4 2676 B18R2.11744 CC(CCc1ccccc1)NCc2ncon2 34a_100000210798_100000233494 [0,1,1,0,0,0|2,0,0]=4 2677 B18R2.11744 CC(CCc1ccccc1)NCn2cncn2 2230a_100000210798_200020645497 [0,1,1,0,0,0|1,0,1]=4 2678 B18R2.11744 CC(CCc1ccccc1)NCn2cncn2 34a_100000210798_200020645497 [0,1,1,0,0,0|1,0,1]=4 2679 B18R2.11744 CC(COc1ccccc1)NCc2c[nH]cn2 2230a_100000746794_100000707719 [0,1,1,0,0,0|1,0,0]=3 2680 B18R2.11744 CC(COc1ccccc1)NCc2c[nH]cn2 34a_100000746794_100000707719 [0,1,1,0,0,0|1,0,0]=3 2681 B18R2.11744 CC(COc1ccccc1)NCc2c[nH]nn2 270004a_100020620823_100000150576 [0,1,1,0,0,0|2,0,0]=4 2682 B18R2.11744 CC(COc1ccccc1)NCc2cocn2 270004a_100000746794_100000050382 [0,1,1,0,0,0|2,0,0]=4 2683 B18R2.11744 CC(COc1ccccc1)NCc2cocn2 270004a_100015188801_100000150576 [0,1,1,0,0,0|2,0,0]=4 2684 B18R2.11744 CC(COc1ccccc1)NCc2cscn2 207a_100000746794_100000743575 [0,1,1,0,0,0|2,0,0]=4 2685 B18R2.11744 CC(COc1ccccc1)NCc2cscn2 2230a_100000746794_100000205941 [0,1,1,0,0,0|2,0,0]=4 2686 B18R2.11744 CC(COc1ccccc1)NCc2cscn2 270004a_100000746794_100000743575 [0,1,1,0,0,0|2,0,0]=4 2687 B18R2.11744 CC(COc1ccccc1)NCc2cscn2 34a_100000746794_100000205941 [0,1,1,0,0,0|2,0,0]=4 2688 B18R2.11744 CC(COc1ccccc1)OCc2c[nH]cn2 34a_100000210911_100000707719 [0,1,1,0,0,0|2,0,0]=4 2689 B18R2.11744 CC(CSc1ccccc1)NCc2c[nH]nn2 270004a_100020620823_100000150717 [0,1,1,0,0,0|2,0,0]=4 2690 B18R2.11744 CC(CSc1ccccc1)NCc2cocn2 270004a_100015188801_100000150717 [0,1,1,0,0,0|2,0,0]=4 2691 B18R2.11744 CN(CCc1ccccc1)CCc2c[nH]cn2 2230a_100000207497_100020628418 [0,1,1,0,0,0|2,0,0]=4 2692 B18R2.11744 CN(CCc1ccccc1)CCc2c[nH]cn2 269982a_100000207497_100020628418 [0,1,1,0,0,0|2,0,0]=4 2693 B18R2.11744 C[C@@H](CCc1ccccc1)OCc2c[nH]cn2 34a_100009815974_100000707719 [0,1,1,0,0,0|1,0,0]=3 2694 B18R2.11744 C[C@@H](CCc1ccccc1)OCc2cscn2 34a_100009815974_100000205941 [0,1,1,0,0,0|2,0,0]=4 2695 B18R2.11744 C[C@@H](CCc1ccccc1)OCc2cscn2 7a_100009815974_100000205941 [0,1,1,0,0,0|2,0,0]=4 2696 B18R2.11744 O=C(CCc1ccccc1)CCc2c[nH]cn2 1458a_100000185753_100020628418 [0,1,1,0,0,0|1,0,1]=4 2697 B18R2.11744 O=C(CCc1ccccc1)NCc2c[nH]cn2 11a_100000758547_100000185753 [0,1,1,0,0,0|0,0,1]=3 2698 B18R2.11744 O=C(CCc1ccccc1)NCc2c[nH]cn2 240690a_100000758547_100000185753 [0,1,1,0,0,0|0,0,1]=3 2699 B18R2.11744 O=C(CCc1ccccc1)NCc2c[nH]cn2 527a_100000758547_100000185753 [0,1,1,0,0,0|0,0,1]=3 2700 B18R2.11744 O=C(CCc1ccccc1)NCc2c[nH]nn2 11a_100020620823_100000185753 [0,1,1,0,0,0|1,0,1]=4 2701 B18R2.11744 O=C(CCc1ccccc1)NCc2c[nH]nn2 240690a_100020620823_100000185753 [0,1,1,0,0,0|1,0,1]=4 2702 B18R2.11744 O=C(CCc1ccccc1)NCc2c[nH]nn2 527a_100020620823_100000185753 [0,1,1,0,0,0|1,0,1]=4 2703 B18R2.11744 O=C(CCc1ccccc1)NCc2cocn2 11a_100015188801_100000185753 [0,1,1,0,0,0|1,0,1]=4 2704 B18R2.11744 O=C(CCc1ccccc1)NCc2cocn2 240690a_100015188801_100000185753 [0,1,1,0,0,0|1,0,1]=4 2705 B18R2.11744 O=C(CCc1ccccc1)NCc2cocn2 527a_100015188801_100000185753 [0,1,1,0,0,0|1,0,1]=4 2706 B18R2.11744 O=C(CCc1ccccc1)NCc2cscn2 11a_100015185402_100000185753 [0,1,1,0,0,0|1,0,1]=4 2707 B18R2.11744 O=C(CCc1ccccc1)NCc2cscn2 1626a_100015185402_100000185753 [0,1,1,0,0,0|1,0,1]=4 2708 B18R2.11744 O=C(CCc1ccccc1)NCc2cscn2 240690a_100015185402_100000185753 [0,1,1,0,0,0|1,0,1]=4 2709 B18R2.11744 O=C(CCc1ccccc1)NCc2cscn2 527a_100015185402_100000185753 [0,1,1,0,0,0|1,0,1]=4 2710 B18R2.11744 O=C(CCc1ccccn1)NCc2c[nH]cn2 11a_100000758547_100015195070 [0,1,1,0,0,0|1,0,1]=4 2711 B18R2.11744 O=C(CCc1ccccn1)NCc2c[nH]cn2 240690a_100000758547_100015195070 [0,1,1,0,0,0|1,0,1]=4 2712 B18R2.11744 O=C(CCc1ccccn1)NCc2c[nH]cn2 527a_100000758547_100015195070 [0,1,1,0,0,0|1,0,1]=4 2713 B18R2.11744 O=C(CCc1cccnc1)NCc2c[nH]cn2 11a_100000758547_100000198484 [0,1,1,0,0,0|1,0,1]=4 2714 B18R2.11744 O=C(CCc1cccnc1)NCc2c[nH]cn2 240690a_100000758547_100000198484 [0,1,1,0,0,0|1,0,1]=4 2715 B18R2.11744 O=C(CCc1cccnc1)NCc2c[nH]cn2 527a_100000758547_100000198484 [0,1,1,0,0,0|1,0,1]=4 2716 B18R2.11744 O=C(CCc1ccncc1)NCc2c[nH]cn2 11a_100000758547_100011225043 [0,1,1,0,0,0|1,0,1]=4 2717 B18R2.11744 O=C(CCc1ccncc1)NCc2c[nH]cn2 240690a_100000758547_100011225043 [0,1,1,0,0,0|1,0,1]=4 2718 B18R2.11744 O=C(CCc1ccncc1)NCc2c[nH]cn2 527a_100000758547_100011225043 [0,1,1,0,0,0|1,0,1]=4 2719 B18R2.11744 O=C(COc1ccccc1)NCc2c[nH]cn2 11a_100000758547_100000186222 [0,1,1,0,0,0|1,0,1]=4 2720 B18R2.11744 O=C(COc1ccccc1)NCc2c[nH]cn2 240690a_100000758547_100000186222 [0,1,1,0,0,0|1,0,1]=4 2721 B18R2.11744 O=C(COc1ccccc1)NCc2c[nH]cn2 527a_100000758547_100000186222 [0,1,1,0,0,0|1,0,1]=4 2722 B18R2.11744 O=C(CSc1ccccc1)NCc2c[nH]cn2 11a_100000758547_100000211596 [0,1,1,0,0,0|1,0,1]=4 2723 B18R2.11744 O=C(CSc1ccccc1)NCc2c[nH]cn2 240690a_100000758547_100000211596 [0,1,1,0,0,0|1,0,1]=4 2724 B18R2.11744 O=C(CSc1ccccc1)NCc2c[nH]cn2 527a_100000758547_100000211596 [0,1,1,0,0,0|1,0,1]=4 2725 B18R2.11744 O=C(NCc1ccccc1)NCc2c[nH]cn2 2708a_100000758547_100015324214 [0,1,1,0,0,0|1,0,1]=4 2726 B18R2.11744 O=C(NCc1ccccc1)NCc2c[nH]cn2 2708a_100015324214_100000758547 [0,1,1,0,0,0|1,0,1]=4 2727 B18R2.11744 O=C(NCc1ccccc1)NCc2c[nH]cn2 273464a_100000758547_100015324214 [0,1,1,0,0,0|1,0,1]=4 2728 B18R2.11744 O=C(NCc1ccccc1)NCc2c[nH]cn2 273464a_100015324214_100000758547 [0,1,1,0,0,0|1,0,1]=4 2729 B18R2.11744 O=C(NCc1ccccc1)NCc2c[nH]cn2 512a_100000758547_100015324214 [0,1,1,0,0,0|1,0,1]=4 2730 B18R2.11744 O=C(NCc1ccccc1)NCc2c[nH]cn2 512a_100015324214_100000758547 [0,1,1,0,0,0|1,0,1]=4 2731 B18R2.72600 CC(CCNCc1c[nH]nn1)c2ccccc2 270004a_100020620823_100000189432 [0,1,1,0,0,0|1,0,0]=3 2732 B18R2.72600 CC(CCNCc1ccco1)c2ccccc2 270004a_100000185738_100000189432 [0,1,1,0,0,0|2,0,0]=4 2733 B18R2.72600 CC(CCNCc1cccs1)c2ccccc2 270004a_100000211653_100000189432 [0,1,1,0,0,0|2,0,0]=4 2734 B18R2.72600 CC(CCNCc1ccoc1)c2ccccc2 270004a_100015206860_100000189432 [0,1,1,0,0,0|2,0,0]=4 2735 B18R2.72600 CC(CCNCc1ccon1)c2ccccc2 270004a_100000688301_100000189432 [0,1,1,0,0,0|2,0,0]=4 2736 B18R2.72600 CC(CCNCc1ccsc1)c2ccccc2 270004a_100000186416_100000189432 [0,1,1,0,0,0|2,0,0]=4 2737 B18R2.72600 CC(CCNCc1cn[nH]c1)c2ccccc2 270004a_100000737208_100000189432 [0,1,1,0,0,0|2,0,0]=4 2738 B18R2.72600 CC(CCNCc1cnco1)c2ccccc2 270004a_100020634212_100000189432 [0,1,1,0,0,0|1,0,1]=4 2739 B18R2.72600 CC(CCNCc1cncs1)c2ccccc2 270004a_100016987365_100000189432 [0,1,1,0,0,0|1,0,1]=4 2740 B18R2.72600 CC(CCNCc1cocn1)c2ccccc2 270004a_100015188801_100000189432 [0,1,1,0,0,0|1,0,0]=3 2741 B18R2.72600 CC(CCNCc1ncc[nH]1)c2ccccc2 270004a_100000754540_100000189432 [0,1,1,0,0,0|2,0,0]=4 2742 B18R2.72600 CC(CCNCc1nccs1)c2ccccc2 270004a_100000740555_100000189432 [0,1,1,0,0,0|2,0,0]=4 2743 B18R2.72600 CC(CNCCc1c[nH]cn1)c2ccccc2 2230a_100000701038_100020628418 [0,1,1,0,0,0|2,0,0]=4 2744 B18R2.72600 CC(CNCCc1c[nH]cn1)c2ccccc2 270004a_100000755092_100000212034 [0,1,1,0,0,0|2,0,0]=4 2745 B18R2.72600 CC(COCCc1c[nH]cn1)c2ccccc2 7a_100011215166_100020628418 [0,1,1,0,0,0|2,0,0]=4 2746 B18R2.72600 CC(CSCCc1c[nH]cn1)c2ccccc2 62a_100000756946_100020628418 [0,1,1,0,0,0|2,0,0]=4 2747 B18R2.72600 CC(CSCCc1c[nH]cn1)c2ccccc2 62a_100020628418_100000756946 [0,1,1,0,0,0|2,0,0]=4 2748 B18R2.72600 CN(CCNCc1cocn1)c2ccccc2 270004a_100000231046_100000050382 [0,1,1,0,0,0|2,0,0]=4 2749 B18R2.72600 CN(CCNCc1cscn1)c2ccccc2 207a_100000231046_100000743575 [0,1,1,0,0,0|2,0,0]=4 2750 B18R2.72600 CN(CCNCc1cscn1)c2ccccc2 270004a_100000231046_100000743575 [0,1,1,0,0,0|2,0,0]=4 2751 B18R2.72600 N[C@@H](CCOCc1c[nH]cn1)c2ccccc2 34a_100025705951_100000707719 [0,1,1,0,0,0|1,0,0]=3 2752 B18R2.72600 N[C@@H](CCOCc1cscn1)c2ccccc2 34a_100025705951_100000205941 [0,1,1,0,0,0|2,0,0]=4 2753 B18R2.72600 O=C(CCNCc1cscn1)c2ccccc2 2230a_100015185402_100000750707 [0,1,1,0,0,0|1,0,1]=4 2754 B18R2.72600 O=C(CCSCc1c[nH]cn1)c2ccccc2 62a_100000707719_100000750707 [0,1,1,0,0,0|1,0,1]=4 2755 B18R2.72600 O=C(CCSCc1c[nH]cn1)c2ccccc2 62a_100000750707_100000707719 [0,1,1,0,0,0|1,0,1]=4 2756 B18R2.72600 O=S(CCNCc1cscn1)c2ccccc2 2230a_100015185402_100000740319 [0,1,1,0,0,0|2,0,0]=4 2757 B18R2.72600 O=S(CCSCc1c[nH]cn1)c2ccccc2 62a_100000707719_100000740319 [0,1,1,0,0,0|2,0,0]=4 2758 B18R2.72600 OC(CCNCc1c[nH]cn1)c2ccccc2 2230a_100000763605_100000707719 [0,1,1,0,0,0|0,0,0]=2 2759 B18R2.72600 OC(CCNCc1cc[nH]n1)c2ccccc2 207a_100000763605_100000738523 [0,1,1,0,0,0|2,0,0]=4 2760 B18R2.72600 OC(CCNCc1cc[nH]n1)c2ccccc2 270004a_100000763605_100000738523 [0,1,1,0,0,0|2,0,0]=4 2761 B18R2.72600 OC(CCNCc1ccco1)c2ccccc2 207a_100000763605_100000186105 [0,1,1,0,0,0|2,0,0]=4 2762 B18R2.72600 OC(CCNCc1ccco1)c2ccccc2 270004a_100000763605_100000186105 [0,1,1,0,0,0|2,0,0]=4 2763 B18R2.72600 OC(CCNCc1cccs1)c2ccccc2 207a_100000763605_100000209959 [0,1,1,0,0,0|2,0,0]=4 2764 B18R2.72600 OC(CCNCc1cccs1)c2ccccc2 270004a_100000763605_100000209959 [0,1,1,0,0,0|2,0,0]=4 2765 B18R2.72600 OC(CCNCc1ccoc1)c2ccccc2 207a_100000763605_100011215517 [0,1,1,0,0,0|2,0,0]=4 2766 B18R2.72600 OC(CCNCc1ccoc1)c2ccccc2 270004a_100000763605_100011215517 [0,1,1,0,0,0|2,0,0]=4 2767 B18R2.72600 OC(CCNCc1ccon1)c2ccccc2 2230a_100000763605_100000234950 [0,1,1,0,0,0|2,0,0]=4 2768 B18R2.72600 OC(CCNCc1ccsc1)c2ccccc2 207a_100000763605_100000188534 [0,1,1,0,0,0|2,0,0]=4 2769 B18R2.72600 OC(CCNCc1ccsc1)c2ccccc2 2230a_100000763605_100011261437 [0,1,1,0,0,0|2,0,0]=4 2770 B18R2.72600 OC(CCNCc1ccsc1)c2ccccc2 270004a_100000763605_100000188534 [0,1,1,0,0,0|2,0,0]=4 2771 B18R2.72600 OC(CCNCc1cn[nH]c1)c2ccccc2 207a_100000763605_100016992096 [0,1,1,0,0,0|2,0,0]=4 2772 B18R2.72600 OC(CCNCc1cn[nH]c1)c2ccccc2 270004a_100000763605_100016992096 [0,1,1,0,0,0|2,0,0]=4 2773 B18R2.72600 OC(CCNCc1cnc[nH]1)c2ccccc2 207a_100000763605_100000742939 [0,1,1,0,0,0|0,0,2]=4 2774 B18R2.72600 OC(CCNCc1cnco1)c2ccccc2 270004a_100000763605_100000064291 [0,1,1,0,0,0|1,0,1]=4 2775 B18R2.72600 OC(CCNCc1cncs1)c2ccccc2 207a_100000763605_100000749870 [0,1,1,0,0,0|1,0,1]=4 2776 B18R2.72600 OC(CCNCc1cncs1)c2ccccc2 2230a_100000763605_100015185245 [0,1,1,0,0,0|1,0,1]=4 2777 B18R2.72600 OC(CCNCc1cncs1)c2ccccc2 270004a_100000763605_100000749870 [0,1,1,0,0,0|1,0,1]=4 2778 B18R2.72600 OC(CCNCc1cocn1)c2ccccc2 270004a_100000763605_100000050382 [0,1,1,0,0,0|1,0,0]=3 2779 B18R2.72600 OC(CCNCc1cscn1)c2ccccc2 207a_100000763605_100000743575 [0,1,1,0,0,0|1,0,0]=3 2780 B18R2.72600 OC(CCNCc1cscn1)c2ccccc2 2230a_100000763605_100000205941 [0,1,1,0,0,0|1,0,0]=3 2781 B18R2.72600 OC(CCNCc1cscn1)c2ccccc2 270004a_100000763605_100000743575 [0,1,1,0,0,0|1,0,0]=3 2782 B18R2.72600 OC(CCNCc1csnn1)c2ccccc2 270004a_100000763605_100000738508 [0,1,1,0,0,0|2,0,0]=4 2783 B18R2.72600 OC(CCNCc1ncc[nH]1)c2ccccc2 207a_100000763605_100000743867 [0,1,1,0,0,0|2,0,0]=4 2784 B18R2.72600 OC(CCNCc1ncc[nH]1)c2ccccc2 2230a_100000763605_100016991755 [0,1,1,0,0,0|2,0,0]=4 2785 B18R2.72600 OC(CCNCc1ncco1)c2ccccc2 2230a_100000763605_103436540062 [0,1,1,0,0,0|2,0,0]=4 2786 B18R2.72600 OC(CCNCc1ncco1)c2ccccc2 270004a_100000763605_100000064290 [0,1,1,0,0,0|2,0,0]=4 2787 B18R2.72600 OC(CCNCc1nccs1)c2ccccc2 207a_100000763605_100000750902 [0,1,1,0,0,0|2,0,0]=4 2788 B18R2.72600 OC(CCNCc1nccs1)c2ccccc2 2230a_100000763605_100015184050 [0,1,1,0,0,0|2,0,0]=4 2789 B18R2.72600 OC(CCNCc1nccs1)c2ccccc2 270004a_100000763605_100000750902 [0,1,1,0,0,0|2,0,0]=4 2790 B18R2.72600 OC(CCNCn1cncn1)c2ccccc2 2230a_100000763605_200020645497 [0,1,1,0,0,0|1,0,1]=4 2791 B18R2.72600 OC(CNCCc1c[nH]cn1)c2ccccc2 2230a_100000210709_100020628418 [0,1,1,0,0,0|2,0,0]=4 2792 B18R2.72600 OC(CSCCc1c[nH]cn1)c2ccccc2 62a_100000185958_100020628418 [0,1,1,0,0,0|2,0,0]=4 2793 B18R2.72600 OC(CSCCc1c[nH]cn1)c2ccccc2 62a_100020628418_100000185958 [0,1,1,0,0,0|2,0,0]=4 2794 B18R2.72600 O[C@H](CCNCc1ccco1)c2ccccc2 2230a_100000185738_100000729684 [0,1,1,0,0,0|2,0,0]=4 2795 B18R2.72600 O[C@H](CCNCc1ccco1)c2ccccc2 34a_100000185738_100000729684 [0,1,1,0,0,0|2,0,0]=4 2796 B18R2.72600 O[C@H](CCNCc1cccs1)c2ccccc2 2230a_100000211653_100000729684 [0,1,1,0,0,0|2,0,0]=4 2797 B18R2.72600 O[C@H](CCNCc1ccoc1)c2ccccc2 2230a_100015206860_100000729684 [0,1,1,0,0,0|2,0,0]=4 2798 B18R2.72600 O[C@H](CCNCc1ccoc1)c2ccccc2 34a_100015206860_100000729684 [0,1,1,0,0,0|2,0,0]=4 2799 B18R2.72600 O[C@H](CCNCc1ccsc1)c2ccccc2 2230a_100000186416_100000729684 [0,1,1,0,0,0|2,0,0]=4 2800 B18R2.72600 O[C@H](CCNCc1ccsc1)c2ccccc2 34a_100000186416_100000729684 [0,1,1,0,0,0|2,0,0]=4 2801 B18R2.72600 O[C@H](CCNCc1cncs1)c2ccccc2 2230a_100016987365_100000729684 [0,1,1,0,0,0|1,0,1]=4 2802 B18R2.72600 O[C@H](CCNCc1cscn1)c2ccccc2 2230a_100015185402_100000729684 [0,1,1,0,0,0|1,0,0]=3 2803 B18R2.72600 O[C@H](CCNCc1ncco1)c2ccccc2 2230a_100016994969_100000729684 [0,1,1,0,0,0|2,0,0]=4 2804 B18R2.72600 O[C@H](CCNCc1nccs1)c2ccccc2 2230a_100000740555_100000729684 [0,1,1,0,0,0|2,0,0]=4 2805 B18R2.72600 O[C@H](CCSCc1c[nH]cn1)c2ccccc2 62a_100000707719_100000729684 [0,1,1,0,0,0|1,0,0]=3 2806 B18R2.72600 O[C@H](CCSCc1c[nH]cn1)c2ccccc2 62a_100000729684_100000707719 [0,1,1,0,0,0|1,0,0]=3 2807 B18R2.72600 O[C@H](CCSCc1cscn1)c2ccccc2 62a_100000205941_100000729684 [0,1,1,0,0,0|2,0,0]=4 2808 B18R2.72600 O[C@H](CCSCc1cscn1)c2ccccc2 62a_100000729684_100000205941 [0,1,1,0,0,0|2,0,0]=4 2809 B18R2.72600 O[C@H](CSCCc1c[nH]cn1)c2ccccc2 62a_100011933945_100020628418 [0,1,1,0,0,0|2,0,0]=4 2810 B18R2.72600 O[C@H](CSCCc1c[nH]cn1)c2ccccc2 62a_100020628418_100011933945 [0,1,1,0,0,0|2,0,0]=4 2811 B18R2.72602 CC(CNCc1c[nH]cn1)Oc2ccccc2 2230a_100000755676_100000707719 [0,1,1,0,0,0|1,0,0]=3 2812 B18R2.72602 CC(CNCc1c[nH]cn1)Oc2ccccc2 34a_100000755676_100000707719 [0,1,1,0,0,0|1,0,0]=3 2813 B18R2.72602 CC(CNCc1c[nH]cn1)Oc2cccnc2 2230a_200011219418_100000707719 [0,1,1,0,0,0|2,0,0]=4 2814 B18R2.72602 CC(CNCc1cocn1)Oc2ccccc2 270004a_100000755676_100000050382 [0,1,1,0,0,0|2,0,0]=4 2815 B18R2.72602 CC(CNCc1cscn1)Oc2ccccc2 207a_100000755676_100000743575 [0,1,1,0,0,0|2,0,0]=4 2816 B18R2.72602 CC(CNCc1cscn1)Oc2ccccc2 2230a_100000755676_100000205941 [0,1,1,0,0,0|2,0,0]=4 2817 B18R2.72602 CC(CNCc1cscn1)Oc2ccccc2 270004a_100000755676_100000743575 [0,1,1,0,0,0|2,0,0]=4 2818 B18R2.72602 CC(CNCc1cscn1)Oc2ccccc2 34a_100000755676_100000205941 [0,1,1,0,0,0|2,0,0]=4 2819 B18R2.72602 CC(COCc1c[nH]cn1)Cc2ccccc2 34a_100012125295_100000707719 [0,1,1,0,0,0|1,0,0]=3 2820 B18R2.72602 CC(COCc1c[nH]cn1)Oc2ccccc2 34a_200000036796_100000707719 [0,1,1,0,0,0|2,0,0]=4 2821 B18R2.72602 CC(COCc1cscn1)Cc2ccccc2 34a_100012125295_100000205941 [0,1,1,0,0,0|2,0,0]=4 2822 B18R2.72602 CC(COCc1cscn1)Cc2ccccc2 7a_100012125295_100000205941 [0,1,1,0,0,0|2,0,0]=4 2823 B18R2.72602 CC(Cc1ccccc1)OCCc2c[nH]cn2 7a_100000748627_100020628418 [0,1,1,0,0,0|2,0,0]=4 2824 B18R2.72602 CC(Cc1ccccc1)SCCc2c[nH]cn2 62a_100020628418_200011218536 [0,1,1,0,0,0|2,0,0]=4 2825 B18R2.72602 CC(Cc1ccccc1)SCCc2c[nH]cn2 62a_200011218536_100020628418 [0,1,1,0,0,0|2,0,0]=4 2826 B18R2.72602 NC(COCc1c[nH]cn1)Cc2ccccc2 34a_100000739027_100000707719 [0,1,1,0,0,0|1,0,0]=3 2827 B18R2.72602 NC(COCc1cscn1)Cc2ccccc2 34a_100000739027_100000205941 [0,1,1,0,0,0|2,0,0]=4 2828 B18R2.72602 O=C(CNCc1cscn1)Cc2ccccc2 2230a_100015185402_100000233483 [0,1,1,0,0,0|1,0,1]=4 2829 B18R2.72602 O=C(CSCc1c[nH]cn1)Cc2ccccc2 62a_100000233483_100000707719 [0,1,1,0,0,0|1,0,1]=4 2830 B18R2.72602 O=C(CSCc1c[nH]cn1)Cc2ccccc2 62a_100000707719_100000233483 [0,1,1,0,0,0|1,0,1]=4 2831 B18R2.72602 OC(CNCc1c[nH]cn1)Cc2ccccc2 2230a_100000752270_100000707719 [0,1,1,0,0,0|0,0,0]=2 2832 B18R2.72602 OC(CNCc1cc[nH]n1)Cc2ccccc2 207a_100000752270_100000738523 [0,1,1,0,0,0|2,0,0]=4 2833 B18R2.72602 OC(CNCc1cc[nH]n1)Cc2ccccc2 270004a_100000752270_100000738523 [0,1,1,0,0,0|2,0,0]=4 2834 B18R2.72602 OC(CNCc1ccco1)Cc2ccccc2 207a_100000752270_100000186105 [0,1,1,0,0,0|2,0,0]=4 2835 B18R2.72602 OC(CNCc1ccco1)Cc2ccccc2 270004a_100000752270_100000186105 [0,1,1,0,0,0|2,0,0]=4 2836 B18R2.72602 OC(CNCc1cccs1)Cc2ccccc2 207a_100000752270_100000209959 [0,1,1,0,0,0|2,0,0]=4 2837 B18R2.72602 OC(CNCc1cccs1)Cc2ccccc2 270004a_100000752270_100000209959 [0,1,1,0,0,0|2,0,0]=4 2838 B18R2.72602 OC(CNCc1ccoc1)Cc2ccccc2 207a_100000752270_100011215517 [0,1,1,0,0,0|2,0,0]=4 2839 B18R2.72602 OC(CNCc1ccoc1)Cc2ccccc2 270004a_100000752270_100011215517 [0,1,1,0,0,0|2,0,0]=4 2840 B18R2.72602 OC(CNCc1ccon1)Cc2ccccc2 2230a_100000752270_100000234950 [0,1,1,0,0,0|2,0,0]=4 2841 B18R2.72602 OC(CNCc1ccsc1)Cc2ccccc2 207a_100000752270_100000188534 [0,1,1,0,0,0|2,0,0]=4 2842 B18R2.72602 OC(CNCc1ccsc1)Cc2ccccc2 2230a_100000752270_100011261437 [0,1,1,0,0,0|2,0,0]=4 2843 B18R2.72602 OC(CNCc1ccsc1)Cc2ccccc2 270004a_100000752270_100000188534 [0,1,1,0,0,0|2,0,0]=4 2844 B18R2.72602 OC(CNCc1cn[nH]c1)Cc2ccccc2 207a_100000752270_100016992096 [0,1,1,0,0,0|2,0,0]=4 2845 B18R2.72602 OC(CNCc1cn[nH]c1)Cc2ccccc2 270004a_100000752270_100016992096 [0,1,1,0,0,0|2,0,0]=4 2846 B18R2.72602 OC(CNCc1cnc[nH]1)Cc2ccccc2 207a_100000752270_100000742939 [0,1,1,0,0,0|0,0,2]=4 2847 B18R2.72602 OC(CNCc1cnco1)Cc2ccccc2 270004a_100000752270_100000064291 [0,1,1,0,0,0|1,0,1]=4 2848 B18R2.72602 OC(CNCc1cncs1)Cc2ccccc2 207a_100000752270_100000749870 [0,1,1,0,0,0|1,0,1]=4 2849 B18R2.72602 OC(CNCc1cncs1)Cc2ccccc2 2230a_100000752270_100015185245 [0,1,1,0,0,0|1,0,1]=4 2850 B18R2.72602 OC(CNCc1cncs1)Cc2ccccc2 270004a_100000752270_100000749870 [0,1,1,0,0,0|1,0,1]=4 2851 B18R2.72602 OC(CNCc1cocn1)Cc2ccccc2 270004a_100000752270_100000050382 [0,1,1,0,0,0|1,0,0]=3 2852 B18R2.72602 OC(CNCc1cscn1)Cc2ccccc2 207a_100000752270_100000743575 [0,1,1,0,0,0|1,0,0]=3 2853 B18R2.72602 OC(CNCc1cscn1)Cc2ccccc2 2230a_100000752270_100000205941 [0,1,1,0,0,0|1,0,0]=3 2854 B18R2.72602 OC(CNCc1cscn1)Cc2ccccc2 270004a_100000752270_100000743575 [0,1,1,0,0,0|1,0,0]=3 2855 B18R2.72602 OC(CNCc1csnn1)Cc2ccccc2 270004a_100000752270_100000738508 [0,1,1,0,0,0|2,0,0]=4 2856 B18R2.72602 OC(CNCc1ncc[nH]1)Cc2ccccc2 207a_100000752270_100000743867 [0,1,1,0,0,0|2,0,0]=4 2857 B18R2.72602 OC(CNCc1ncc[nH]1)Cc2ccccc2 2230a_100000752270_100016991755 [0,1,1,0,0,0|2,0,0]=4 2858 B18R2.72602 OC(CNCc1ncco1)Cc2ccccc2 2230a_100000752270_103436540062 [0,1,1,0,0,0|2,0,0]=4 2859 B18R2.72602 OC(CNCc1ncco1)Cc2ccccc2 270004a_100000752270_100000064290 [0,1,1,0,0,0|2,0,0]=4 2860 B18R2.72602 OC(CNCc1nccs1)Cc2ccccc2 207a_100000752270_100000750902 [0,1,1,0,0,0|2,0,0]=4 2861 B18R2.72602 OC(CNCc1nccs1)Cc2ccccc2 2230a_100000752270_100015184050 [0,1,1,0,0,0|2,0,0]=4 2862 B18R2.72602 OC(CNCc1nccs1)Cc2ccccc2 270004a_100000752270_100000750902 [0,1,1,0,0,0|2,0,0]=4 2863 B18R2.72602 OC(CNCn1cncn1)Cc2ccccc2 2230a_100000752270_200020645497 [0,1,1,0,0,0|1,0,1]=4 2864 B18R2.72602 O[C@H](CNCc1ccco1)Cc2ccccc2 2230a_100000185738_100000729385 [0,1,1,0,0,0|2,0,0]=4 2865 B18R2.72602 O[C@H](CNCc1ccco1)Cc2ccccc2 34a_100000185738_100000729385 [0,1,1,0,0,0|2,0,0]=4 2866 B18R2.72602 O[C@H](CNCc1cccs1)Cc2ccccc2 2230a_100000211653_100000729385 [0,1,1,0,0,0|2,0,0]=4 2867 B18R2.72602 O[C@H](CNCc1ccoc1)Cc2ccccc2 2230a_100015206860_100000729385 [0,1,1,0,0,0|2,0,0]=4 2868 B18R2.72602 O[C@H](CNCc1ccoc1)Cc2ccccc2 34a_100015206860_100000729385 [0,1,1,0,0,0|2,0,0]=4 2869 B18R2.72602 O[C@H](CNCc1ccsc1)Cc2ccccc2 2230a_100000186416_100000729385 [0,1,1,0,0,0|2,0,0]=4 2870 B18R2.72602 O[C@H](CNCc1ccsc1)Cc2ccccc2 34a_100000186416_100000729385 [0,1,1,0,0,0|2,0,0]=4 2871 B18R2.72602 O[C@H](CNCc1cncs1)Cc2ccccc2 2230a_100016987365_100000729385 [0,1,1,0,0,0|1,0,1]=4 2872 B18R2.72602 O[C@H](CNCc1cscn1)Cc2ccccc2 2230a_100015185402_100000729385 [0,1,1,0,0,0|1,0,0]=3 2873 B18R2.72602 O[C@H](CNCc1ncco1)Cc2ccccc2 2230a_100016994969_100000729385 [0,1,1,0,0,0|2,0,0]=4 2874 B18R2.72602 O[C@H](CNCc1nccs1)Cc2ccccc2 2230a_100000740555_100000729385 [0,1,1,0,0,0|2,0,0]=4 2875 B18R2.72602 O[C@H](CSCc1c[nH]cn1)Cc2ccccc2 62a_100000707719_100000729385 [0,1,1,0,0,0|1,0,0]=3 2876 B18R2.72602 O[C@H](CSCc1c[nH]cn1)Cc2ccccc2 62a_100000729385_100000707719 [0,1,1,0,0,0|1,0,0]=3 2877 B18R2.72602 O[C@H](CSCc1cscn1)Cc2ccccc2 62a_100000205941_100000729385 [0,1,1,0,0,0|2,0,0]=4 2878 B18R2.72602 O[C@H](CSCc1cscn1)Cc2ccccc2 62a_100000729385_100000205941 [0,1,1,0,0,0|2,0,0]=4 2879 B18R2.72604 CC(CCCc1ccccc1)Sc2c[nH]cn2 62a_100000756875_200010759516 [0,1,1,0,0,0|2,0,0]=4 2880 B18R2.72604 CC(CCCc1ccccc1)Sc2c[nH]cn2 62a_200010759516_100000756875 [0,1,1,0,0,0|2,0,0]=4 2881 B18R2.72604 CN(CCCc1ccccc1)Cc2c[nH]cn2 2230a_100000693637_100000707719 [0,1,1,0,0,0|0,0,0]=2 2882 B18R2.72604 CN(CCCc1ccccc1)Cc2c[nH]cn2 269982a_100000693637_100000707719 [0,1,1,0,0,0|0,0,0]=2 2883 B18R2.72604 CN(CCCc1ccccc1)Cc2cc[nH]n2 270004a_100000693637_100000738523 [0,1,1,0,0,0|2,0,0]=4 2884 B18R2.72604 CN(CCCc1ccccc1)Cc2ccco2 2230a_100000185268_100000211621 [0,1,1,0,0,0|2,0,0]=4 2885 B18R2.72604 CN(CCCc1ccccc1)Cc2ccco2 269982a_100000185268_100000211621 [0,1,1,0,0,0|2,0,0]=4 2886 B18R2.72604 CN(CCCc1ccccc1)Cc2ccco2 270004a_100000693637_100000186105 [0,1,1,0,0,0|2,0,0]=4 2887 B18R2.72604 CN(CCCc1ccccc1)Cc2cccs2 2230a_100000184426_100000211621 [0,1,1,0,0,0|2,0,0]=4 2888 B18R2.72604 CN(CCCc1ccccc1)Cc2cccs2 269982a_100000184426_100000211621 [0,1,1,0,0,0|2,0,0]=4 2889 B18R2.72604 CN(CCCc1ccccc1)Cc2cccs2 270004a_100000693637_100000209959 [0,1,1,0,0,0|2,0,0]=4 2890 B18R2.72604 CN(CCCc1ccccc1)Cc2ccoc2 270004a_100000693637_100011215517 [0,1,1,0,0,0|2,0,0]=4 2891 B18R2.72604 CN(CCCc1ccccc1)Cc2ccon2 2230a_100000693637_100000234950 [0,1,1,0,0,0|2,0,0]=4 2892 B18R2.72604 CN(CCCc1ccccc1)Cc2ccon2 2230a_100000757864_100000211621 [0,1,1,0,0,0|2,0,0]=4 2893 B18R2.72604 CN(CCCc1ccccc1)Cc2ccon2 269982a_100000693637_100000234950 [0,1,1,0,0,0|2,0,0]=4 2894 B18R2.72604 CN(CCCc1ccccc1)Cc2ccon2 269982a_100000757864_100000211621 [0,1,1,0,0,0|2,0,0]=4 2895 B18R2.72604 CN(CCCc1ccccc1)Cc2ccsc2 2230a_100000693637_100011261437 [0,1,1,0,0,0|2,0,0]=4 2896 B18R2.72604 CN(CCCc1ccccc1)Cc2ccsc2 2230a_100020654213_100000211621 [0,1,1,0,0,0|2,0,0]=4 2897 B18R2.72604 CN(CCCc1ccccc1)Cc2ccsc2 269982a_100000693637_100011233845 [0,1,1,0,0,0|2,0,0]=4 2898 B18R2.72604 CN(CCCc1ccccc1)Cc2ccsc2 269982a_100020654213_100000211621 [0,1,1,0,0,0|2,0,0]=4 2899 B18R2.72604 CN(CCCc1ccccc1)Cc2ccsc2 270004a_100000693637_100000188534 [0,1,1,0,0,0|2,0,0]=4 2900 B18R2.72604 CN(CCCc1ccccc1)Cc2cn[nH]c2 270004a_100000693637_100016992096 [0,1,1,0,0,0|2,0,0]=4 2901 B18R2.72604 CN(CCCc1ccccc1)Cc2cnco2 270004a_100000693637_100000064291 [0,1,1,0,0,0|1,0,1]=4 2902 B18R2.72604 CN(CCCc1ccccc1)Cc2cncs2 2230a_100000693637_100015185245 [0,1,1,0,0,0|1,0,1]=4 2903 B18R2.72604 CN(CCCc1ccccc1)Cc2cncs2 269982a_100000693637_100015185245 [0,1,1,0,0,0|1,0,1]=4 2904 B18R2.72604 CN(CCCc1ccccc1)Cc2cncs2 270004a_100000693637_100000749870 [0,1,1,0,0,0|1,0,1]=4 2905 B18R2.72604 CN(CCCc1ccccc1)Cc2cocn2 270004a_100000693637_100000050382 [0,1,1,0,0,0|1,0,0]=3 2906 B18R2.72604 CN(CCCc1ccccc1)Cc2cscn2 2230a_100000225794_100000211621 [0,1,1,0,0,0|1,0,0]=3 2907 B18R2.72604 CN(CCCc1ccccc1)Cc2cscn2 2230a_100000693637_100000205941 [0,1,1,0,0,0|1,0,0]=3 2908 B18R2.72604 CN(CCCc1ccccc1)Cc2cscn2 269982a_100000225794_100000211621 [0,1,1,0,0,0|1,0,0]=3 2909 B18R2.72604 CN(CCCc1ccccc1)Cc2cscn2 269982a_100000693637_100000205941 [0,1,1,0,0,0|1,0,0]=3 2910 B18R2.72604 CN(CCCc1ccccc1)Cc2cscn2 270004a_100000693637_100000743575 [0,1,1,0,0,0|1,0,0]=3 2911 B18R2.72604 CN(CCCc1ccccc1)Cc2csnn2 270004a_100000693637_100000738508 [0,1,1,0,0,0|2,0,0]=4 2912 B18R2.72604 CN(CCCc1ccccc1)Cc2ncc[nH]2 2230a_100000693637_100016991755 [0,1,1,0,0,0|2,0,0]=4 2913 B18R2.72604 CN(CCCc1ccccc1)Cc2ncc[nH]2 2230a_100015184136_100000211621 [0,1,1,0,0,0|2,0,0]=4 2914 B18R2.72604 CN(CCCc1ccccc1)Cc2ncc[nH]2 269982a_100000693637_100016991755 [0,1,1,0,0,0|2,0,0]=4 2915 B18R2.72604 CN(CCCc1ccccc1)Cc2ncc[nH]2 269982a_100015184136_100000211621 [0,1,1,0,0,0|2,0,0]=4 2916 B18R2.72604 CN(CCCc1ccccc1)Cc2ncco2 2230a_100000693637_103436540062 [0,1,1,0,0,0|2,0,0]=4 2917 B18R2.72604 CN(CCCc1ccccc1)Cc2ncco2 269982a_100000693637_103436540062 [0,1,1,0,0,0|2,0,0]=4 2918 B18R2.72604 CN(CCCc1ccccc1)Cc2ncco2 270004a_100000693637_100000064290 [0,1,1,0,0,0|2,0,0]=4 2919 B18R2.72604 CN(CCCc1ccccc1)Cc2nccs2 2230a_100000693637_100015184050 [0,1,1,0,0,0|2,0,0]=4 2920 B18R2.72604 CN(CCCc1ccccc1)Cc2nccs2 2230a_100000765864_100000211621 [0,1,1,0,0,0|2,0,0]=4 2921 B18R2.72604 CN(CCCc1ccccc1)Cc2nccs2 269982a_100000693637_100015184050 [0,1,1,0,0,0|2,0,0]=4 2922 B18R2.72604 CN(CCCc1ccccc1)Cc2nccs2 269982a_100000765864_100000211621 [0,1,1,0,0,0|2,0,0]=4 2923 B18R2.72604 CN(CCCc1ccccc1)Cc2nccs2 270004a_100000693637_100000750902 [0,1,1,0,0,0|2,0,0]=4 2924 B18R2.72604 CN(CCCc1ccccc1)Cc2ncon2 269982a_100000693637_100000233494 [0,1,1,0,0,0|2,0,0]=4 2925 B18R2.72604 CN(CCCc1ccccc1)Cc2ncon2 269982a_100000697192_100000211621 [0,1,1,0,0,0|2,0,0]=4 2926 B18R2.72604 CN(CCCc1ccccc1)Cn2cncn2 2230a_100000693637_200020645497 [0,1,1,0,0,0|1,0,1]=4 2927 B18R2.72604 CN(CCCc1ccccc1)Cn2cncn2 269982a_100000693637_200020645497 [0,1,1,0,0,0|1,0,1]=4 2928 B18R2.72604 CN(CCOc1ccccc1)Cc2c[nH]cn2 2230a_100000184383_100000707719 [0,1,1,0,0,0|1,0,0]=3 2929 B18R2.72604 CN(CCOc1ccccc1)Cc2c[nH]cn2 269982a_100000184383_100000707719 [0,1,1,0,0,0|1,0,0]=3 2930 B18R2.72604 CN(CCOc1ccccc1)Cc2cocn2 270004a_100000184383_100000050382 [0,1,1,0,0,0|2,0,0]=4 2931 B18R2.72604 CN(CCOc1ccccc1)Cc2cscn2 2230a_100000184383_100000205941 [0,1,1,0,0,0|2,0,0]=4 2932 B18R2.72604 CN(CCOc1ccccc1)Cc2cscn2 2230a_100000225794_100000184471 [0,1,1,0,0,0|2,0,0]=4 2933 B18R2.72604 CN(CCOc1ccccc1)Cc2cscn2 269982a_100000184383_100000205941 [0,1,1,0,0,0|2,0,0]=4 2934 B18R2.72604 CN(CCOc1ccccc1)Cc2cscn2 269982a_100000225794_100000184471 [0,1,1,0,0,0|2,0,0]=4 2935 B18R2.72604 CN(CCOc1ccccc1)Cc2cscn2 270004a_100000184383_100000743575 [0,1,1,0,0,0|2,0,0]=4 2936 B18R2.72604 CN(CCOc1ccccc1)Cc2cscn2 270004a_100000225794_100000758736 [0,1,1,0,0,0|2,0,0]=4 2937 B18R2.72604 CN(CCSc1ccccc1)Cc2cscn2 2230a_100000225794_100000246102 [0,1,1,0,0,0|2,0,0]=4 2938 B18R2.72604 CN(CCSc1ccccc1)Cc2cscn2 269982a_100000225794_100000246102 [0,1,1,0,0,0|2,0,0]=4 2939 B18R2.72604 CN(COCc1ccccc1)Cc2cscn2 2230a_100000225794_100000763385 [0,1,1,0,0,0|2,0,0]=4 2940 B18R2.72604 CN(CSCc1ccccc1)Cc2cscn2 2230a_100000225794_200011217039 [0,1,1,0,0,0|2,0,0]=4 2941 B18R2.72604 CN(CSCc1ccccc1)Cc2cscn2 269982a_100000225794_200011217039 [0,1,1,0,0,0|2,0,0]=4 2942 B18R2.72604 O=C(CCCc1ccccc1)Cc2c[nH]cn2 1458a_100011207963_100000707719 [0,1,1,0,0,0|1,0,0]=3 2943 B18R2.72604 O=C(CCCc1ccccc1)Cc2c[nH]cn2 1458a_100015291406_100000211621 [0,1,1,0,0,0|1,0,0]=3 2944 B18R2.72604 O=C(CCCc1ccccc1)Cc2cscn2 1458a_100011207963_100000205941 [0,1,1,0,0,0|2,0,0]=4 2945 B18R2.72604 O=C(CCCc1ccccc1)Cc2cscn2 1458a_100011438297_100000211621 [0,1,1,0,0,0|2,0,0]=4 2946 B18R2.72604 O=C(CCCc1ccccn1)Cc2c[nH]cn2 1458a_100000752327_100000707719 [0,1,1,0,0,0|2,0,0]=4 2947 B18R2.72604 O=C(CCCc1ccncc1)Cc2c[nH]cn2 1458a_100020654287_100000707719 [0,1,1,0,0,0|2,0,0]=4 2948 B18R2.72604 O=C(CCOc1ccccc1)Cc2c[nH]cn2 1458a_100000182761_100000707719 [0,1,1,0,0,0|2,0,0]=4 2949 B18R2.72604 O=C(CCOc1ccccc1)Cc2c[nH]cn2 1458a_100015291406_100000184471 [0,1,1,0,0,0|2,0,0]=4 2950 B18R2.72604 O=C(CCSc1ccccc1)Cc2c[nH]cn2 1458a_100000182436_100000707719 [0,1,1,0,0,0|2,0,0]=4 2951 B18R2.72604 O=C(CCSc1ccccc1)Cc2c[nH]cn2 1458a_100015291406_100000246102 [0,1,1,0,0,0|2,0,0]=4 2952 B18R2.72604 O=C(COCc1ccccc1)Cc2c[nH]cn2 1458a_100000230186_100000707719 [0,1,1,0,0,0|2,0,0]=4 2953 B18R2.72604 O=C(CSCc1ccccc1)Cc2c[nH]cn2 1458a_100000150264_100000707719 [0,1,1,0,0,0|2,0,0]=4 2954 B18R2.72604 O=C(CSCc1ccccc1)Cc2c[nH]cn2 1458a_100015291406_200011217039 [0,1,1,0,0,0|2,0,0]=4 2955 B18R2.72604 O=C(Cc1c[nH]cn1)NCCc2ccccc2 240690a_100000106460_100015291406 [0,1,1,0,0,0|2,0,0]=4 2956 B18R2.3078 CCN(Cc1c[nH]cn1)c2ccccc2C#N 2230a_200000218880_100000707719 [0,1,1,0,0,0|1,0,1]=4 2957 B18R2.3078 CCN(Cc1c[nH]cn1)c2ccccc2C#N 269982a_200000218880_100000707719 [0,1,1,0,0,0|1,0,1]=4 2958 B18R2.3078 CCN(Cc1c[nH]cn1)c2ccccc2OC 2230a_100020603010_100000707719 [0,1,1,0,0,0|1,0,0]=3 2959 B18R2.3078 CCN(Cc1c[nH]cn1)c2ccccc2OC 269982a_100020603010_100000707719 [0,1,1,0,0,0|1,0,0]=3 2960 B18R2.3078 CCN(Cc1cscn1)c2ccccc2OC 2230a_100020603010_100000205941 [0,1,1,0,0,0|2,0,0]=4 2961 B18R2.3078 CCN(Cc1cscn1)c2ccccc2OC 269982a_100020603010_100000205941 [0,1,1,0,0,0|2,0,0]=4 2962 B18R2.3088 CCc1ccccc1C(=O)Cc2cn(cn2)C 1458a_100000689120_100000717665 [0,1,1,0,0,0|2,0,0]=4 2963 B18R2.3088 CN(Cc1cn(cn1)C)c2ccccc2C#N 2230a_100000744078_100000717665 [0,1,1,0,0,0|1,0,1]=4 2964 B18R2.3088 CN(Cc1cn(cn1)C)c2ccccc2C#N 269982a_100000744078_100000717665 [0,1,1,0,0,0|1,0,1]=4 2965 B18R2.3088 COc1ccccc1N(C)Cc2cn(cn2)C 2230a_100000219746_100000717665 [0,1,1,0,0,0|1,0,0]=3 2966 B18R2.3088 COc1ccccc1N(C)Cc2cn(cn2)C 269982a_100000219746_100000717665 [0,1,1,0,0,0|1,0,0]=3 2967 B18R2.3088 COc1ccccc1N(C)Cc2cn(cn2)C 34a_100000219746_100000717665 [0,1,1,0,0,0|1,0,0]=3 2968 B18R2.3088 COc1ccccc1N(C)Cc2csc(n2)C 2230a_100000219746_100015186478 [0,1,1,0,0,0|2,0,0]=4 2969 B18R2.3088 COc1ccccc1N(C)Cc2csc(n2)C 269982a_100000219746_100015186478 [0,1,1,0,0,0|2,0,0]=4 2970 B18R2.3088 COc1ccccc1N(C)Cc2csc(n2)C 34a_100000219746_100015186478 [0,1,1,0,0,0|2,0,0]=4 2971 B18R2.3088 COc1ccccc1N(C)Cc2csc(n2)Cl 2230a_100000219746_100000024076 [0,1,1,0,0,0|2,0,0]=4 2972 B18R2.3088 COc1ccccc1N(C)Cc2csc(n2)Cl 269982a_100000219746_100000024076 [0,1,1,0,0,0|2,0,0]=4 2973 B18R2.3088 COc1ccccc1N(C)Cc2csc(n2)Cl 34a_100000219746_100000024076 [0,1,1,0,0,0|2,0,0]=4 2974 B18R2.3088 COc1ccccc1N(C)Cc2ncn(n2)C 2230a_100000219746_100016995526 [0,1,1,0,0,0|2,0,0]=4 2975 B18R2.3088 COc1ccccc1N(C)Cc2ncn(n2)C 269982a_100000219746_100016995526 [0,1,1,0,0,0|2,0,0]=4 2976 B18R2.3088 COc1ccccc1N(C)Cc2ncn(n2)C 34a_100000219746_100016995526 [0,1,1,0,0,0|2,0,0]=4 2977 B18R2.7149 CC(C)c1ccccc1C(=O)Cc2c[nH]cn2 1458a_100011941426_100000707719 [0,1,1,0,0,0|2,0,0]=4 2978 B18R2.7149 CC(C)c1ccccc1N(C)Cc2c[nH]cn2 2230a_106256037369_100000707719 [0,1,1,0,0,0|0,0,0]=2 2979 B18R2.7149 CC(C)c1ccccc1N(C)Cc2c[nH]cn2 269982a_106256037369_100000707719 [0,1,1,0,0,0|0,0,0]=2 2980 B18R2.7149 CC(C)c1ccccc1N(C)Cc2c[nH]cn2 34a_106256037369_100000707719 [0,1,1,0,0,0|0,0,0]=2 2981 B18R2.7149 CC(C)c1ccccc1N(C)Cc2c[nH]cn2 38a_106256037369_100000707719 [0,1,1,0,0,0|0,0,0]=2 2982 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccon2 2230a_106256037369_100000234950 [0,1,1,0,0,0|2,0,0]=4 2983 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccon2 269982a_106256037369_100000234950 [0,1,1,0,0,0|2,0,0]=4 2984 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccon2 34a_106256037369_100000234950 [0,1,1,0,0,0|2,0,0]=4 2985 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccon2 38a_106256037369_100000234950 [0,1,1,0,0,0|2,0,0]=4 2986 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccsc2 2230a_106256037369_100011261437 [0,1,1,0,0,0|2,0,0]=4 2987 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccsc2 269982a_106256037369_100011233845 [0,1,1,0,0,0|2,0,0]=4 2988 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccsc2 34a_106256037369_100011261437 [0,1,1,0,0,0|2,0,0]=4 2989 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ccsc2 38a_106256037369_100011233845 [0,1,1,0,0,0|2,0,0]=4 2990 B18R2.7149 CC(C)c1ccccc1N(C)Cc2cncs2 2230a_106256037369_100015185245 [0,1,1,0,0,0|1,0,1]=4 2991 B18R2.7149 CC(C)c1ccccc1N(C)Cc2cncs2 269982a_106256037369_100015185245 [0,1,1,0,0,0|1,0,1]=4 2992 B18R2.7149 CC(C)c1ccccc1N(C)Cc2cncs2 34a_106256037369_100015185245 [0,1,1,0,0,0|1,0,1]=4 2993 B18R2.7149 CC(C)c1ccccc1N(C)Cc2cscn2 2230a_106256037369_100000205941 [0,1,1,0,0,0|1,0,0]=3 2994 B18R2.7149 CC(C)c1ccccc1N(C)Cc2cscn2 269982a_106256037369_100000205941 [0,1,1,0,0,0|1,0,0]=3 2995 B18R2.7149 CC(C)c1ccccc1N(C)Cc2cscn2 34a_106256037369_100000205941 [0,1,1,0,0,0|1,0,0]=3 2996 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 2230a_106256037369_100016991755 [0,1,1,0,0,0|2,0,0]=4 2997 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 269982a_106256037369_100016991755 [0,1,1,0,0,0|2,0,0]=4 2998 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 34a_106256037369_100016991755 [0,1,1,0,0,0|2,0,0]=4 2999 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 38a_106256037369_100016991755 [0,1,1,0,0,0|2,0,0]=4 3000 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncco2 2230a_106256037369_103436540062 [0,1,1,0,0,0|2,0,0]=4 3001 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncco2 269982a_106256037369_103436540062 [0,1,1,0,0,0|2,0,0]=4 3002 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncco2 34a_106256037369_103436540062 [0,1,1,0,0,0|2,0,0]=4 3003 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncco2 38a_106256037369_103436540062 [0,1,1,0,0,0|2,0,0]=4 3004 B18R2.7149 CC(C)c1ccccc1N(C)Cc2nccs2 2230a_106256037369_100015184050 [0,1,1,0,0,0|2,0,0]=4 3005 B18R2.7149 CC(C)c1ccccc1N(C)Cc2nccs2 269982a_106256037369_100015184050 [0,1,1,0,0,0|2,0,0]=4 3006 B18R2.7149 CC(C)c1ccccc1N(C)Cc2nccs2 34a_106256037369_100015184050 [0,1,1,0,0,0|2,0,0]=4 3007 B18R2.7149 CC(C)c1ccccc1N(C)Cc2nccs2 38a_106256037369_100015184050 [0,1,1,0,0,0|2,0,0]=4 3008 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncon2 269982a_106256037369_100000233494 [0,1,1,0,0,0|2,0,0]=4 3009 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncon2 34a_106256037369_100000233494 [0,1,1,0,0,0|2,0,0]=4 3010 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncon2 38a_106256037369_100000233494 [0,1,1,0,0,0|2,0,0]=4 3011 B18R2.7149 CC(C)c1ccccc1N(C)Cn2cncn2 2230a_106256037369_200020645497 [0,1,1,0,0,0|1,0,1]=4 3012 B18R2.7149 CC(C)c1ccccc1N(C)Cn2cncn2 269982a_106256037369_200020645497 [0,1,1,0,0,0|1,0,1]=4 3013 B18R2.7149 CC(C)c1ccccc1N(C)Cn2cncn2 34a_106256037369_200020645497 [0,1,1,0,0,0|1,0,1]=4 3014 B18R2.7149 CC(C)c1ccccc1N(C)Cn2cncn2 38a_106256037369_200020645497 [0,1,1,0,0,0|1,0,1]=4 3015 B18R2.7149 CN(Cc1c[nH]cn1)c2ccccc2C(=O)N 269982a_100000184419_100000707719 [0,1,1,0,0,0|1,0,1]=4 3016 B18R2.7149 CN(Cc1c[nH]cn1)c2ccccc2[N+](=O)[O-] 2230a_100000156515_100000707719 [0,1,1,0,0,0|2,0,0]=4 3017 B18R2.7149 CN(Cc1c[nH]cn1)c2ccccc2[N+](=O)[O-] 269982a_100000156515_100000707719 [0,1,1,0,0,0|2,0,0]=4 3018 B18R2.7562 CCOc1ccccc1C(=O)Cc2c[nH]cn2 1458a_100000211144_100000707719 [0,1,1,0,0,0|2,0,0]=4 3019 B18R2.7562 CCSc1ccccc1C(=O)Cc2c[nH]cn2 1458a_100000195471_100000707719 [0,1,1,0,0,0|2,0,0]=4 3020 B18R2.7562 COCc1ccccc1C(=O)Cc2c[nH]cn2 1458a_100000737999_100000707719 [0,1,1,0,0,0|2,0,0]=4 3021 B18R2.13728 CCc1ccc(cc1C(=O)Cc2c[nH]cn2)Br 1458a_100012343961_100000707719 [0,1,1,0,0,0|2,0,0]=4 3022 B18R2.13728 CCc1cnc(cc1N(C)Cc2cscn2)C 27a_100000225794_100010291839 [0,1,1,0,0,0|2,0,0]=4 3023 B18R2.13728 CN(Cc1c[nH]cn1)c2cc(ccc2C#N)Br 2230a_200012356631_100000707719 [0,1,1,0,0,0|1,0,1]=4 3024 B18R2.13728 CN(Cc1c[nH]cn1)c2cc(ccc2C#N)Br 269982a_200012356631_100000707719 [0,1,1,0,0,0|1,0,1]=4 3025 B18R2.15286 CCc1cc(ccc1C(=O)Cc2c[nH]cn2)Br 1458a_200012349896_100000707719 [0,1,1,0,0,0|2,0,0]=4 3026 B18R2.15286 CN(Cc1c[nH]cn1)c2ccc(cc2C#N)Br 2230a_100013037436_100000707719 [0,1,1,0,0,0|1,0,1]=4 3027 B18R2.15286 CN(Cc1c[nH]cn1)c2ccc(cc2C#N)Br 269982a_100013037436_100000707719 [0,1,1,0,0,0|1,0,1]=4 3028 B18R2.15286 COc1cc(ccc1N(C)Cc2c[nH]cn2)Cl 2230a_100000061351_100000707719 [0,1,1,0,0,0|1,0,0]=3 3029 B18R2.15286 COc1cc(ccc1N(C)Cc2c[nH]cn2)Cl 269982a_100000061351_100000707719 [0,1,1,0,0,0|1,0,0]=3 3030 B18R2.15286 COc1cc(ccc1N(C)Cc2c[nH]cn2)Cl 34a_100000061351_100000707719 [0,1,1,0,0,0|1,0,0]=3 3031 B18R2.15286 COc1cc(ccc1N(C)Cc2c[nH]cn2)F 2230a_100020633920_100000707719 [0,1,1,0,0,0|1,0,0]=3 3032 B18R2.15286 COc1cc(ccc1N(C)Cc2c[nH]cn2)F 269982a_100020633920_100000707719 [0,1,1,0,0,0|1,0,0]=3 3033 B18R2.15286 COc1cc(ccc1N(C)Cc2c[nH]cn2)F 34a_100020633920_100000707719 [0,1,1,0,0,0|1,0,0]=3 3034 B18R2.15286 COc1cc(ccc1N(C)Cc2c[nH]cn2)F 38a_100020633920_100000707719 [0,1,1,0,0,0|1,0,0]=3 3035 B18R2.15286 COc1cc(ccc1N(C)Cc2cscn2)Cl 2230a_100000061351_100000205941 [0,1,1,0,0,0|2,0,0]=4 3036 B18R2.15286 COc1cc(ccc1N(C)Cc2cscn2)Cl 269982a_100000061351_100000205941 [0,1,1,0,0,0|2,0,0]=4 3037 B18R2.15286 COc1cc(ccc1N(C)Cc2cscn2)Cl 34a_100000061351_100000205941 [0,1,1,0,0,0|2,0,0]=4 3038 B18R2.15286 COc1cc(ccc1N(C)Cc2cscn2)F 2230a_100020633920_100000205941 [0,1,1,0,0,0|2,0,0]=4 3039 B18R2.15286 COc1cc(ccc1N(C)Cc2cscn2)F 269982a_100020633920_100000205941 [0,1,1,0,0,0|2,0,0]=4 3040 B18R2.15286 COc1cc(ccc1N(C)Cc2cscn2)F 34a_100020633920_100000205941 [0,1,1,0,0,0|2,0,0]=4 3041 B18R2.23110 CCc1c(cccc1C(=O)Cc2c[nH]cn2)Br 1458a_100010125490_100000707719 [0,1,1,0,0,0|2,0,0]=4 3042 B18R2.23110 CN(Cc1c[nH]cn1)c2cccc(c2C#N)Br 2230a_200012769483_100000707719 [0,1,1,0,0,0|1,0,1]=4 3043 B18R2.23110 CN(Cc1c[nH]cn1)c2cccc(c2C#N)Br 269982a_200012769483_100000707719 [0,1,1,0,0,0|1,0,1]=4 3044 B18R2.23110 CN(Cc1c[nH]cn1)c2cccc(c2C#N)F 2230a_200000199173_100000707719 [0,1,1,0,0,0|1,0,1]=4 3045 B18R2.23110 CN(Cc1c[nH]cn1)c2cccc(c2C#N)F 269982a_200000199173_100000707719 [0,1,1,0,0,0|1,0,1]=4 3046 B18R2.23110 CN(Cc1c[nH]cn1)c2cccc(c2C#N)F 34a_200000199173_100000707719 [0,1,1,0,0,0|1,0,1]=4 3047 B18R2.104770 CCc1ccccc1C(=O)Cc2nc[nH]c2C 1458a_100000689120_100000751220 [0,1,1,0,0,0|2,0,0]=4 3048 B18R2.104770 COc1ccccc1N(C)Cc2nc[nH]c2C 2230a_100000219746_100000751220 [0,1,1,0,0,0|1,0,0]=3 3049 B18R2.104770 COc1ccccc1N(C)Cc2nc[nH]c2C 269982a_100000219746_100000751220 [0,1,1,0,0,0|1,0,0]=3 3050 B18R2.104770 COc1ccccc1N(C)Cc2ncoc2C 2230a_100000219746_200000693990 [0,1,1,0,0,0|2,0,0]=4 3051 B18R2.104770 COc1ccccc1N(C)Cc2ncoc2C 34a_100000219746_200000693990 [0,1,1,0,0,0|2,0,0]=4 3052 B18R2.104770 Cc1[nH]cnc1CN(C)c2ccccc2C#N 2230a_100000744078_100000751220 [0,1,1,0,0,0|1,0,1]=4 3053 B18R2.104770 Cc1[nH]cnc1CN(C)c2ccccc2C#N 269982a_100000744078_100000751220 [0,1,1,0,0,0|1,0,1]=4 3054 B18R2.5268 C=CCc1ccccc1NCc2c[nH]c(n2)C 207a_200138433279_100011219055 [0,1,1,0,0,0|0,0,2]=4 3055 B18R2.5268 C=CCc1ccccc1NCc2cn(cn2)C 207a_200138433279_100000684808 [0,1,1,0,0,0|0,0,2]=4 3056 B18R2.5268 C=CCc1ccccc1NCc2cn(cn2)C 2230a_200138433279_100000717665 [0,1,1,0,0,0|0,0,2]=4 3057 B18R2.5268 C=CCc1ccccc1NCc2cn(cn2)C 34a_200138433279_100000717665 [0,1,1,0,0,0|0,0,2]=4 3058 B18R2.5268 CCCc1ccccc1NCc2c[nH]c(n2)C 207a_100000737634_100011219055 [0,1,1,0,0,0|0,0,0]=2 3059 B18R2.5268 CCCc1ccccc1NCc2cc(co2)Br 270302a_100000737634_100000747035 [0,1,1,0,0,0|2,0,0]=4 3060 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)Br 207a_100000737634_100000211722 [0,1,1,0,0,0|2,0,0]=4 3061 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)Br 2230a_100000737634_100000746031 [0,1,1,0,0,0|2,0,0]=4 3062 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)Br 270302a_100000737634_100000211722 [0,1,1,0,0,0|2,0,0]=4 3063 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)Br 34a_100000737634_100000746031 [0,1,1,0,0,0|2,0,0]=4 3064 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)Br 7a_100000737634_100000746031 [0,1,1,0,0,0|2,0,0]=4 3065 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)C 207a_100000737634_100102525248 [0,1,1,0,0,0|2,0,0]=4 3066 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)C 270302a_100000737634_100102525248 [0,1,1,0,0,0|2,0,0]=4 3067 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)Cl 207a_100000737634_100000102487 [0,1,1,0,0,0|2,0,0]=4 3068 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)Cl 270302a_100000737634_100000102487 [0,1,1,0,0,0|2,0,0]=4 3069 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)I 207a_100000737634_100010179861 [0,1,1,0,0,0|2,0,0]=4 3070 B18R2.5268 CCCc1ccccc1NCc2cc(cs2)I 270302a_100000737634_100010179861 [0,1,1,0,0,0|2,0,0]=4 3071 B18R2.5268 CCCc1ccccc1NCc2cc(on2)C 207a_100000737634_100011217994 [0,1,1,0,0,0|2,0,0]=4 3072 B18R2.5268 CCCc1ccccc1NCc2cc(on2)C 2230a_100000737634_100000199038 [0,1,1,0,0,0|2,0,0]=4 3073 B18R2.5268 CCCc1ccccc1NCc2cc(on2)C 34a_100000737634_100000199038 [0,1,1,0,0,0|2,0,0]=4 3074 B18R2.5268 CCCc1ccccc1NCc2cc(on2)C 7a_100000737634_100000199038 [0,1,1,0,0,0|2,0,0]=4 3075 B18R2.5268 CCCc1ccccc1NCc2cc(sn2)C 207a_100000737634_200000100279 [0,1,1,0,0,0|2,0,0]=4 3076 B18R2.5268 CCCc1ccccc1NCc2cc(sn2)C 270302a_100000737634_200000100279 [0,1,1,0,0,0|2,0,0]=4 3077 B18R2.5268 CCCc1ccccc1NCc2ccc(o2)Br 207a_100000737634_100000185145 [0,1,1,0,0,0|2,0,0]=4 3078 B18R2.5268 CCCc1ccccc1NCc2ccc(o2)C 207a_100000737634_100000183696 [0,1,1,0,0,0|2,0,0]=4 3079 B18R2.5268 CCCc1ccccc1NCc2ccc(o2)C 270302a_100000737634_100000183696 [0,1,1,0,0,0|2,0,0]=4 3080 B18R2.5268 CCCc1ccccc1NCc2ccc(o2)Cl 207a_100000737634_100000188459 [0,1,1,0,0,0|2,0,0]=4 3081 B18R2.5268 CCCc1ccccc1NCc2ccc(o2)I 207a_100000737634_100000186757 [0,1,1,0,0,0|2,0,0]=4 3082 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Br 207a_100000737634_100000179771 [0,1,1,0,0,0|2,0,0]=4 3083 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Br 2230a_100000737634_100000708592 [0,1,1,0,0,0|2,0,0]=4 3084 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Br 270302a_100000737634_100000179771 [0,1,1,0,0,0|2,0,0]=4 3085 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Br 34a_100000737634_100000708592 [0,1,1,0,0,0|2,0,0]=4 3086 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Br 7a_100000737634_100000708592 [0,1,1,0,0,0|2,0,0]=4 3087 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)C 207a_100000737634_100000211121 [0,1,1,0,0,0|2,0,0]=4 3088 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)C 270302a_100000737634_100000211121 [0,1,1,0,0,0|2,0,0]=4 3089 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Cl 207a_100000737634_100000242774 [0,1,1,0,0,0|2,0,0]=4 3090 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Cl 2230a_100000737634_100000185097 [0,1,1,0,0,0|2,0,0]=4 3091 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Cl 270302a_100000737634_100000242774 [0,1,1,0,0,0|2,0,0]=4 3092 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Cl 34a_100000737634_100000185097 [0,1,1,0,0,0|2,0,0]=4 3093 B18R2.5268 CCCc1ccccc1NCc2ccc(s2)Cl 7a_100000737634_100000185097 [0,1,1,0,0,0|2,0,0]=4 3094 B18R2.5268 CCCc1ccccc1NCc2ccn(n2)C 207a_100000737634_100000750880 [0,1,1,0,0,0|2,0,0]=4 3095 B18R2.5268 CCCc1ccccc1NCc2ccn(n2)C 2230a_100000737634_100000726502 [0,1,1,0,0,0|2,0,0]=4 3096 B18R2.5268 CCCc1ccccc1NCc2ccn(n2)C 270302a_100000737634_100000750880 [0,1,1,0,0,0|2,0,0]=4 3097 B18R2.5268 CCCc1ccccc1NCc2ccn(n2)C 34a_100000737634_100000726502 [0,1,1,0,0,0|2,0,0]=4 3098 B18R2.5268 CCCc1ccccc1NCc2ccn(n2)C 7a_100000737634_100000726502 [0,1,1,0,0,0|2,0,0]=4 3099 B18R2.5268 CCCc1ccccc1NCc2cn(cn2)C 207a_100000737634_100000684808 [0,1,1,0,0,0|0,0,0]=2 3100 B18R2.5268 CCCc1ccccc1NCc2cn(cn2)C 2230a_100000737634_100000717665 [0,1,1,0,0,0|0,0,0]=2 3101 B18R2.5268 CCCc1ccccc1NCc2cn(cn2)C 34a_100000737634_100000717665 [0,1,1,0,0,0|0,0,0]=2 3102 B18R2.5268 CCCc1ccccc1NCc2cn(cn2)C 7a_100000737634_100000717665 [0,1,1,0,0,0|0,0,0]=2 3103 B18R2.5268 CCCc1ccccc1NCc2cn(nn2)C 207a_100000737634_100000749909 [0,1,1,0,0,0|1,0,0]=3 3104 B18R2.5268 CCCc1ccccc1NCc2cnc(o2)C 207a_100000737634_100000084308 [0,1,1,0,0,0|1,0,1]=4 3105 B18R2.5268 CCCc1ccccc1NCc2cnc(o2)C 270302a_100000737634_100000084308 [0,1,1,0,0,0|1,0,1]=4 3106 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)Br 2230a_100000737634_100000717027 [0,1,1,0,0,0|1,0,1]=4 3107 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)Br 34a_100000737634_100000717027 [0,1,1,0,0,0|1,0,1]=4 3108 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)Br 7a_100000737634_100000717027 [0,1,1,0,0,0|1,0,1]=4 3109 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)C 207a_100000737634_100000740557 [0,1,1,0,0,0|1,0,1]=4 3110 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)C 2230a_100000737634_100020635045 [0,1,1,0,0,0|1,0,1]=4 3111 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)C 34a_100000737634_100020635045 [0,1,1,0,0,0|1,0,1]=4 3112 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)C 7a_100000737634_100020635045 [0,1,1,0,0,0|1,0,1]=4 3113 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)Cl 2230a_100000737634_100000058068 [0,1,1,0,0,0|1,0,1]=4 3114 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)Cl 34a_100000737634_100000058068 [0,1,1,0,0,0|1,0,1]=4 3115 B18R2.5268 CCCc1ccccc1NCc2cnc(s2)Cl 7a_100000737634_100000058068 [0,1,1,0,0,0|1,0,1]=4 3116 B18R2.5268 CCCc1ccccc1NCc2cnn(c2)C 207a_100000737634_100000206001 [0,1,1,0,0,0|2,0,0]=4 3117 B18R2.5268 CCCc1ccccc1NCc2cnn(c2)C 2230a_100000737634_100000744441 [0,1,1,0,0,0|2,0,0]=4 3118 B18R2.5268 CCCc1ccccc1NCc2cnn(c2)C 270302a_100000737634_100000206001 [0,1,1,0,0,0|2,0,0]=4 3119 B18R2.5268 CCCc1ccccc1NCc2cnn(c2)C 34a_100000737634_100000744441 [0,1,1,0,0,0|2,0,0]=4 3120 B18R2.5268 CCCc1ccccc1NCc2cnn(c2)C 7a_100000737634_100000744441 [0,1,1,0,0,0|2,0,0]=4 3121 B18R2.5268 CCCc1ccccc1NCc2coc(n2)C 207a_100000737634_100011361629 [0,1,1,0,0,0|1,0,0]=3 3122 B18R2.5268 CCCc1ccccc1NCc2csc(c2)Br 207a_100000737634_100000737087 [0,1,1,0,0,0|2,0,0]=4 3123 B18R2.5268 CCCc1ccccc1NCc2csc(c2)Br 270302a_100000737634_100000737087 [0,1,1,0,0,0|2,0,0]=4 3124 B18R2.5268 CCCc1ccccc1NCc2csc(c2)C 207a_100000737634_100011998532 [0,1,1,0,0,0|2,0,0]=4 3125 B18R2.5268 CCCc1ccccc1NCc2csc(c2)C 270302a_100000737634_100011998532 [0,1,1,0,0,0|2,0,0]=4 3126 B18R2.5268 CCCc1ccccc1NCc2csc(c2)Cl 207a_100000737634_100009844934 [0,1,1,0,0,0|2,0,0]=4 3127 B18R2.5268 CCCc1ccccc1NCc2csc(c2)Cl 270302a_100000737634_100009844934 [0,1,1,0,0,0|2,0,0]=4 3128 B18R2.5268 CCCc1ccccc1NCc2csc(n2)C 207a_100000737634_100000203724 [0,1,1,0,0,0|1,0,0]=3 3129 B18R2.5268 CCCc1ccccc1NCc2csc(n2)C 2230a_100000737634_100015186478 [0,1,1,0,0,0|1,0,0]=3 3130 B18R2.5268 CCCc1ccccc1NCc2csc(n2)C 270302a_100000737634_100000203724 [0,1,1,0,0,0|1,0,0]=3 3131 B18R2.5268 CCCc1ccccc1NCc2csc(n2)C 34a_100000737634_100015186478 [0,1,1,0,0,0|1,0,0]=3 3132 B18R2.5268 CCCc1ccccc1NCc2csc(n2)C 7a_100000737634_100015186478 [0,1,1,0,0,0|1,0,0]=3 3133 B18R2.5268 CCCc1ccccc1NCc2csc(n2)Cl 2230a_100000737634_100000024076 [0,1,1,0,0,0|1,0,0]=3 3134 B18R2.5268 CCCc1ccccc1NCc2csc(n2)Cl 34a_100000737634_100000024076 [0,1,1,0,0,0|1,0,0]=3 3135 B18R2.5268 CCCc1ccccc1NCc2csc(n2)Cl 7a_100000737634_100000024076 [0,1,1,0,0,0|1,0,0]=3 3136 B18R2.5268 CCCc1ccccc1NCc2n[nH]c(=O)[nH]2 2230a_100000737634_100000754189 [0,1,1,0,0,0|1,0,1]=4 3137 B18R2.5268 CCCc1ccccc1NCc2n[nH]c(=O)[nH]2 7a_100000737634_100000754189 [0,1,1,0,0,0|1,0,1]=4 3138 B18R2.5268 CCCc1ccccc1NCc2nc(c[nH]2)C 207a_100000737634_100000082322 [0,1,1,0,0,0|2,0,0]=4 3139 B18R2.5268 CCCc1ccccc1NCc2nc(cs2)C 207a_100000737634_100000756994 [0,1,1,0,0,0|2,0,0]=4 3140 B18R2.5268 CCCc1ccccc1NCc2nc(no2)C 2230a_100000737634_100000735555 [0,1,1,0,0,0|1,0,1]=4 3141 B18R2.5268 CCCc1ccccc1NCc2nc(no2)C 34a_100000737634_100000735555 [0,1,1,0,0,0|1,0,1]=4 3142 B18R2.5268 CCCc1ccccc1NCc2nc(no2)C 7a_100000737634_100000735555 [0,1,1,0,0,0|1,0,1]=4 3143 B18R2.5268 CCCc1ccccc1NCc2ncc(s2)Br 270302a_100000737634_100000699580 [0,1,1,0,0,0|2,0,0]=4 3144 B18R2.5268 CCCc1ccccc1NCc2ncc(s2)C 207a_100000737634_100011361622 [0,1,1,0,0,0|2,0,0]=4 3145 B18R2.5268 CCCc1ccccc1NCc2ncc(s2)C 270302a_100000737634_100011361622 [0,1,1,0,0,0|2,0,0]=4 3146 B18R2.5268 CCCc1ccccc1NCc2ncc(s2)Cl 270302a_100000737634_100000699884 [0,1,1,0,0,0|2,0,0]=4 3147 B18R2.5268 CCCc1ccccc1NCc2ncn(n2)C 207a_100000737634_100010630104 [0,1,1,0,0,0|1,0,0]=3 3148 B18R2.5268 CCCc1ccccc1NCc2ncn(n2)C 2230a_100000737634_100016995526 [0,1,1,0,0,0|1,0,0]=3 3149 B18R2.5268 CCCc1ccccc1NCc2ncn(n2)C 34a_100000737634_100016995526 [0,1,1,0,0,0|1,0,0]=3 3150 B18R2.5268 CCCc1ccccc1NCc2ncn(n2)C 7a_100000737634_100016995526 [0,1,1,0,0,0|1,0,0]=3 3151 B18R2.5268 CCCc1ccccc1NCc2noc(n2)C 2230a_100000737634_100000231061 [0,1,1,0,0,0|2,0,0]=4 3152 B18R2.5268 CCCc1ccccc1NCc2noc(n2)C 34a_100000737634_100000231061 [0,1,1,0,0,0|2,0,0]=4 3153 B18R2.5268 CCCc1ccccc1NCc2noc(n2)C 7a_100000737634_100000231061 [0,1,1,0,0,0|2,0,0]=4 3154 B18R2.5268 CCCc1ccccc1NCc2nsc(n2)Cl 2230a_100000737634_100000043760 [0,1,1,0,0,0|2,0,0]=4 3155 B18R2.5268 CCCc1ccccc1NCc2nsc(n2)Cl 34a_100000737634_100000043760 [0,1,1,0,0,0|2,0,0]=4 3156 B18R2.5268 CCCc1ccccc1OCc2cn(cn2)C 34a_100011217252_100000717665 [0,1,1,0,0,0|1,0,0]=3 3157 B18R2.5268 CCCc1ccccc1OCc2cn(cn2)C 7a_100011217252_100000717665 [0,1,1,0,0,0|1,0,0]=3 3158 B18R2.5268 CCCc1ccccc1OCc2csc(n2)C 34a_100011217252_100015186478 [0,1,1,0,0,0|2,0,0]=4 3159 B18R2.5268 CCCc1ccccc1OCc2csc(n2)C 7a_100011217252_100015186478 [0,1,1,0,0,0|2,0,0]=4 3160 B18R2.5268 CCCc1ccccc1OCc2csc(n2)Cl 34a_100011217252_100000024076 [0,1,1,0,0,0|2,0,0]=4 3161 B18R2.5268 CCCc1ccccc1OCc2csc(n2)Cl 7a_100011217252_100000024076 [0,1,1,0,0,0|2,0,0]=4 3162 B18R2.5268 CCCc1ccccc1OCc2ncn(n2)C 34a_100011217252_100016995526 [0,1,1,0,0,0|2,0,0]=4 3163 B18R2.5268 CCCc1ccccc1OCc2ncn(n2)C 7a_100011217252_100016995526 [0,1,1,0,0,0|2,0,0]=4 3164 B18R2.5268 CCCc1ncncc1NCc2cn(cn2)C 27a_100011834058_100009816987 [0,1,1,0,0,0|2,0,0]=4 3165 B18R2.5268 CCNc1ccccc1OCc2cn(cn2)C 34a_103624766699_100000717665 [0,1,1,0,0,0|2,0,0]=4 3166 B18R2.5268 CCNc1ccccc1OCc2cn(cn2)C 7a_103624766699_100000717665 [0,1,1,0,0,0|2,0,0]=4 3167 B18R2.5268 CCNc1ccccc1SCc2cn(cn2)C 62a_100000717665_114873767003 [0,1,1,0,0,0|2,0,0]=4 3168 B18R2.5268 CCNc1ccccc1SCc2cn(cn2)C 62a_114873767003_100000717665 [0,1,1,0,0,0|2,0,0]=4 3169 B18R2.5268 CCOc1ccccc1NCc2c[nH]c(n2)C 207a_100000211218_100011219055 [0,1,1,0,0,0|1,0,0]=3 3170 B18R2.5268 CCOc1ccccc1NCc2cn(cn2)C 207a_100000211218_100000684808 [0,1,1,0,0,0|1,0,0]=3 3171 B18R2.5268 CCOc1ccccc1NCc2cn(cn2)C 34a_100000211218_100000717665 [0,1,1,0,0,0|1,0,0]=3 3172 B18R2.5268 CCOc1ccccc1NCc2cn(nn2)C 207a_100000211218_100000749909 [0,1,1,0,0,0|2,0,0]=4 3173 B18R2.5268 CCOc1ccccc1NCc2coc(n2)C 207a_100000211218_100011361629 [0,1,1,0,0,0|2,0,0]=4 3174 B18R2.5268 CCOc1ccccc1NCc2csc(n2)C 207a_100000211218_100000203724 [0,1,1,0,0,0|2,0,0]=4 3175 B18R2.5268 CCOc1ccccc1NCc2csc(n2)C 270302a_100000211218_100000203724 [0,1,1,0,0,0|2,0,0]=4 3176 B18R2.5268 CCOc1ccccc1NCc2csc(n2)C 34a_100000211218_100015186478 [0,1,1,0,0,0|2,0,0]=4 3177 B18R2.5268 CCOc1ccccc1NCc2csc(n2)Cl 34a_100000211218_100000024076 [0,1,1,0,0,0|2,0,0]=4 3178 B18R2.5268 CCOc1ccccc1NCc2ncn(n2)C 207a_100000211218_100010630104 [0,1,1,0,0,0|2,0,0]=4 3179 B18R2.5268 CCOc1ccccc1NCc2ncn(n2)C 34a_100000211218_100016995526 [0,1,1,0,0,0|2,0,0]=4 3180 B18R2.5268 CCOc1ccccc1OCc2cn(cn2)C 34a_100000211404_100000717665 [0,1,1,0,0,0|2,0,0]=4 3181 B18R2.5268 CCOc1ccccc1OCc2cn(cn2)C 7a_100000211404_100000717665 [0,1,1,0,0,0|2,0,0]=4 3182 B18R2.5268 CCOc1ccccc1SCc2cn(cn2)C 62a_100000230754_100000717665 [0,1,1,0,0,0|2,0,0]=4 3183 B18R2.5268 CCOc1ccccc1SCc2cn(cn2)C 62a_100000717665_100000230754 [0,1,1,0,0,0|2,0,0]=4 3184 B18R2.5268 CCSc1ccccc1NCc2c[nH]c(n2)C 207a_100011223125_100011219055 [0,1,1,0,0,0|1,0,0]=3 3185 B18R2.5268 CCSc1ccccc1NCc2cn(cn2)C 207a_100011223125_100000684808 [0,1,1,0,0,0|1,0,0]=3 3186 B18R2.5268 CCSc1ccccc1NCc2cn(cn2)C 34a_100011223125_100000717665 [0,1,1,0,0,0|1,0,0]=3 3187 B18R2.5268 CCSc1ccccc1NCc2cn(nn2)C 207a_100011223125_100000749909 [0,1,1,0,0,0|2,0,0]=4 3188 B18R2.5268 CCSc1ccccc1NCc2coc(n2)C 207a_100011223125_100011361629 [0,1,1,0,0,0|2,0,0]=4 3189 B18R2.5268 CCSc1ccccc1NCc2csc(n2)C 207a_100011223125_100000203724 [0,1,1,0,0,0|2,0,0]=4 3190 B18R2.5268 CCSc1ccccc1NCc2csc(n2)C 270302a_100011223125_100000203724 [0,1,1,0,0,0|2,0,0]=4 3191 B18R2.5268 CCSc1ccccc1NCc2csc(n2)C 34a_100011223125_100015186478 [0,1,1,0,0,0|2,0,0]=4 3192 B18R2.5268 CCSc1ccccc1NCc2csc(n2)Cl 34a_100011223125_100000024076 [0,1,1,0,0,0|2,0,0]=4 3193 B18R2.5268 CCSc1ccccc1NCc2ncn(n2)C 207a_100011223125_100010630104 [0,1,1,0,0,0|2,0,0]=4 3194 B18R2.5268 CCSc1ccccc1NCc2ncn(n2)C 34a_100011223125_100016995526 [0,1,1,0,0,0|2,0,0]=4 3195 B18R2.5268 CCSc1ccccc1SCc2cn(cn2)C 62a_100000230856_100000717665 [0,1,1,0,0,0|2,0,0]=4 3196 B18R2.5268 CCSc1ccccc1SCc2cn(cn2)C 62a_100000717665_100000230856 [0,1,1,0,0,0|2,0,0]=4 3197 B18R2.5268 CNCc1ccccc1OCc2cn(cn2)C 34a_100015189988_100000717665 [0,1,1,0,0,0|2,0,0]=4 3198 B18R2.5268 CNCc1ccccc1SCc2cn(cn2)C 62a_100000184654_100000717665 [0,1,1,0,0,0|2,0,0]=4 3199 B18R2.5268 CNCc1ccccc1SCc2cn(cn2)C 62a_100000717665_100000184654 [0,1,1,0,0,0|2,0,0]=4 3200 B18R2.5268 COCc1ccccc1OCc2cn(cn2)C 34a_100011488565_100000717665 [0,1,1,0,0,0|2,0,0]=4 3201 B18R2.5268 COCc1ccccc1OCc2cn(cn2)C 7a_100011488565_100000717665 [0,1,1,0,0,0|2,0,0]=4 3202 B18R2.5268 COCc1ccccc1SCc2cn(cn2)C 62a_100000717665_100011493684 [0,1,1,0,0,0|2,0,0]=4 3203 B18R2.5268 COCc1ccccc1SCc2cn(cn2)C 62a_100011493684_100000717665 [0,1,1,0,0,0|2,0,0]=4 3204 B18R2.5268 CSCc1ccccc1SCc2cn(cn2)C 62a_100000148299_100000717665 [0,1,1,0,0,0|2,0,0]=4 3205 B18R2.5268 CSCc1ccccc1SCc2cn(cn2)C 62a_100000717665_100000148299 [0,1,1,0,0,0|2,0,0]=4 3206 B18R2.5268 Cc1nc(c[nH]1)CNc2ccccc2CCO 207a_100011215289_100011219055 [0,1,1,0,0,0|1,0,0]=3 3207 B18R2.5268 Cc1nc(co1)CNc2ccccc2CCO 207a_100011215289_100011361629 [0,1,1,0,0,0|2,0,0]=4 3208 B18R2.5268 Cc1nc(cs1)CNc2ccccc2CCO 207a_100011215289_100000203724 [0,1,1,0,0,0|2,0,0]=4 3209 B18R2.5268 Cc1nc(cs1)CNc2ccccc2CCO 2230a_100011215289_100015186478 [0,1,1,0,0,0|2,0,0]=4 3210 B18R2.5268 Cc1nc(cs1)CNc2ccccc2CCO 270302a_100011215289_100000203724 [0,1,1,0,0,0|2,0,0]=4 3211 B18R2.5268 Cc1nc(cs1)CNc2ccccc2CCO 34a_100011215289_100015186478 [0,1,1,0,0,0|2,0,0]=4 3212 B18R2.5268 Cn1cc(nn1)CNc2ccccc2CCO 207a_100011215289_100000749909 [0,1,1,0,0,0|2,0,0]=4 3213 B18R2.5268 Cn1cnc(c1)CNc2ccccc2CCO 207a_100011215289_100000684808 [0,1,1,0,0,0|1,0,0]=3 3214 B18R2.5268 Cn1cnc(c1)CNc2ccccc2CCO 2230a_100011215289_100000717665 [0,1,1,0,0,0|1,0,0]=3 3215 B18R2.5268 Cn1cnc(c1)CNc2ccccc2CCO 34a_100011215289_100000717665 [0,1,1,0,0,0|1,0,0]=3 3216 B18R2.5268 Cn1cnc(c1)COc2ccccc2CCBr 34a_100000722297_100000717665 [0,1,1,0,0,0|2,0,0]=4 3217 B18R2.5268 Cn1cnc(c1)COc2ccccc2CCBr 7a_100000722297_100000717665 [0,1,1,0,0,0|2,0,0]=4 3218 B18R2.5268 Cn1cnc(c1)COc2ccccc2CCN 34a_100011207237_100000717665 [0,1,1,0,0,0|2,0,0]=4 3219 B18R2.5268 Cn1cnc(c1)COc2ccccc2CCO 34a_100000719421_100000717665 [0,1,1,0,0,0|2,0,0]=4 3220 B18R2.5268 Cn1cnc(c1)COc2ccccc2CCO 7a_100000719421_100000717665 [0,1,1,0,0,0|2,0,0]=4 3221 B18R2.5268 Cn1cnc(c1)CSc2ccccc2CCN 62a_100000717665_100000747383 [0,1,1,0,0,0|2,0,0]=4 3222 B18R2.5268 Cn1cnc(c1)CSc2ccccc2CCN 62a_100000747383_100000717665 [0,1,1,0,0,0|2,0,0]=4 3223 B18R2.5268 Cn1cnc(c1)CSc2ccccc2CCO 62a_100000717665_100000731337 [0,1,1,0,0,0|2,0,0]=4 3224 B18R2.5268 Cn1cnc(c1)CSc2ccccc2CCO 62a_100000731337_100000717665 [0,1,1,0,0,0|2,0,0]=4 3225 B18R2.5268 Cn1cnc(n1)CNc2ccccc2CCO 207a_100011215289_100010630104 [0,1,1,0,0,0|2,0,0]=4 3226 B18R2.5268 Cn1cnc(n1)CNc2ccccc2CCO 2230a_100011215289_100016995526 [0,1,1,0,0,0|2,0,0]=4 3227 B18R2.5268 Cn1cnc(n1)CNc2ccccc2CCO 34a_100011215289_100016995526 [0,1,1,0,0,0|2,0,0]=4 3228 B18R2.5268 OCCc1ccccc1NCc2csc(n2)Cl 2230a_100011215289_100000024076 [0,1,1,0,0,0|2,0,0]=4 3229 B18R2.5268 OCCc1ccccc1NCc2csc(n2)Cl 34a_100011215289_100000024076 [0,1,1,0,0,0|2,0,0]=4 3230 B18R2.7563 C=CCc1ccccc1NCc2nc[nH]c2C 207a_200138433279_100000032982 [0,1,1,0,0,0|0,0,2]=4 3231 B18R2.7563 C=CCc1ccccc1NCc2nc[nH]c2C 2230a_200138433279_100000751220 [0,1,1,0,0,0|0,0,2]=4 3232 B18R2.7563 CCCc1ccccc1NCc2c[nH]nc2C 207a_100000737634_100000737037 [0,1,1,0,0,0|2,0,0]=4 3233 B18R2.7563 CCCc1ccccc1NCc2c[nH]nc2C 270302a_100000737634_100000737037 [0,1,1,0,0,0|2,0,0]=4 3234 B18R2.7563 CCCc1ccccc1NCc2ccsc2Br 207a_100000737634_100009816921 [0,1,1,0,0,0|2,0,0]=4 3235 B18R2.7563 CCCc1ccccc1NCc2ccsc2Br 2230a_100000737634_100009814289 [0,1,1,0,0,0|2,0,0]=4 3236 B18R2.7563 CCCc1ccccc1NCc2ccsc2Br 270302a_100000737634_100009816921 [0,1,1,0,0,0|2,0,0]=4 3237 B18R2.7563 CCCc1ccccc1NCc2ccsc2Br 34a_100000737634_100009814289 [0,1,1,0,0,0|2,0,0]=4 3238 B18R2.7563 CCCc1ccccc1NCc2ccsc2Br 7a_100000737634_100009814289 [0,1,1,0,0,0|2,0,0]=4 3239 B18R2.7563 CCCc1ccccc1NCc2ccsc2Cl 207a_100000737634_100000089901 [0,1,1,0,0,0|2,0,0]=4 3240 B18R2.7563 CCCc1ccccc1NCc2ccsc2Cl 2230a_100000737634_100010167017 [0,1,1,0,0,0|2,0,0]=4 3241 B18R2.7563 CCCc1ccccc1NCc2ccsc2Cl 270302a_100000737634_100000089901 [0,1,1,0,0,0|2,0,0]=4 3242 B18R2.7563 CCCc1ccccc1NCc2ccsc2Cl 34a_100000737634_100010167017 [0,1,1,0,0,0|2,0,0]=4 3243 B18R2.7563 CCCc1ccccc1NCc2ccsc2Cl 7a_100000737634_100010167017 [0,1,1,0,0,0|2,0,0]=4 3244 B18R2.7563 CCCc1ccccc1NCc2cncn2C 207a_100000737634_100000750899 [0,1,1,0,0,0|0,0,2]=4 3245 B18R2.7563 CCCc1ccccc1NCc2cncn2C 270302a_100000737634_100000750899 [0,1,1,0,0,0|0,0,2]=4 3246 B18R2.7563 CCCc1ccccc1NCc2cscc2Br 207a_100000737634_100000685484 [0,1,1,0,0,0|2,0,0]=4 3247 B18R2.7563 CCCc1ccccc1NCc2cscc2Br 270302a_100000737634_100000685484 [0,1,1,0,0,0|2,0,0]=4 3248 B18R2.7563 CCCc1ccccc1NCc2n[nH]cc2Cl 207a_100000737634_100000040271 [0,1,1,0,0,0|2,0,0]=4 3249 B18R2.7563 CCCc1ccccc1NCc2nc[nH]c2C 207a_100000737634_100000032982 [0,1,1,0,0,0|0,0,0]=2 3250 B18R2.7563 CCCc1ccccc1NCc2nc[nH]c2C 2230a_100000737634_100000751220 [0,1,1,0,0,0|0,0,0]=2 3251 B18R2.7563 CCCc1ccccc1NCc2nccn2C 207a_100000737634_100000748660 [0,1,1,0,0,0|2,0,0]=4 3252 B18R2.7563 CCCc1ccccc1NCc2nccn2C 2230a_100000737634_100000700302 [0,1,1,0,0,0|2,0,0]=4 3253 B18R2.7563 CCCc1ccccc1NCc2nccn2C 34a_100000737634_100000700302 [0,1,1,0,0,0|2,0,0]=4 3254 B18R2.7563 CCCc1ccccc1NCc2nccn2C 7a_100000737634_100000700302 [0,1,1,0,0,0|2,0,0]=4 3255 B18R2.7563 CCCc1ccccc1NCc2ncoc2C 2230a_100000737634_200000693990 [0,1,1,0,0,0|1,0,0]=3 3256 B18R2.7563 CCCc1ccccc1NCc2ncoc2C 34a_100000737634_200000693990 [0,1,1,0,0,0|1,0,0]=3 3257 B18R2.7563 CCCc1ccccc1NCc2ncoc2C 7a_100000737634_200000693990 [0,1,1,0,0,0|1,0,0]=3 3258 B18R2.7563 CCCc1ccccc1NCc2nnsc2Cl 2230a_100000737634_100000018852 [0,1,1,0,0,0|2,0,0]=4 3259 B18R2.7563 CCCc1ccccc1NCc2nnsc2Cl 7a_100000737634_100000018852 [0,1,1,0,0,0|2,0,0]=4 3260 B18R2.7563 CCCc1ccccc1NCc2nonc2C 2230a_100000737634_200000044682 [0,1,1,0,0,0|1,0,1]=4 3261 B18R2.7563 CCCc1ccccc1NCc2nonc2C 34a_100000737634_200000044682 [0,1,1,0,0,0|1,0,1]=4 3262 B18R2.7563 CCCc1ccccc1NCc2nonc2C 7a_100000737634_200000044682 [0,1,1,0,0,0|1,0,1]=4 3263 B18R2.7563 CCCc1ccccc1NCc2occc2C 207a_100000737634_100000763527 [0,1,1,0,0,0|2,0,0]=4 3264 B18R2.7563 CCCc1ccccc1NCc2occc2C 270302a_100000737634_100000763527 [0,1,1,0,0,0|2,0,0]=4 3265 B18R2.7563 CCCc1ccccc1NCc2sccc2Br 207a_100000737634_100000766043 [0,1,1,0,0,0|2,0,0]=4 3266 B18R2.7563 CCCc1ccccc1NCc2sccc2Br 270302a_100000737634_100000766043 [0,1,1,0,0,0|2,0,0]=4 3267 B18R2.7563 CCCc1ccccc1NCc2sccc2C 207a_100000737634_100000210881 [0,1,1,0,0,0|2,0,0]=4 3268 B18R2.7563 CCCc1ccccc1NCc2sccc2C 270302a_100000737634_100000210881 [0,1,1,0,0,0|2,0,0]=4 3269 B18R2.7563 CCCc1ccccc1NCc2sccc2Cl 207a_100000737634_100000722334 [0,1,1,0,0,0|2,0,0]=4 3270 B18R2.7563 CCCc1ccccc1NCc2sccc2Cl 270302a_100000737634_100000722334 [0,1,1,0,0,0|2,0,0]=4 3271 B18R2.7563 CCCc1ccccc1NCc2scnc2C 207a_100000737634_100000764165 [0,1,1,0,0,0|1,0,1]=4 3272 B18R2.7563 CCCc1ccccc1NCc2scnc2C 270302a_100000737634_100000764165 [0,1,1,0,0,0|1,0,1]=4 3273 B18R2.7563 CCCc1ccccc1OCc2ncoc2C 34a_100011217252_200000693990 [0,1,1,0,0,0|2,0,0]=4 3274 B18R2.7563 CCCc1ccccc1OCc2ncoc2C 7a_100011217252_200000693990 [0,1,1,0,0,0|2,0,0]=4 3275 B18R2.7563 CCNc1ccccc1SCc2nc[nH]c2C 62a_100000751220_114873767003 [0,1,1,0,0,0|2,0,0]=4 3276 B18R2.7563 CCNc1ccccc1SCc2nc[nH]c2C 62a_114873767003_100000751220 [0,1,1,0,0,0|2,0,0]=4 3277 B18R2.7563 CCOc1ccccc1NCc2nc[nH]c2C 207a_100000211218_100000032982 [0,1,1,0,0,0|1,0,0]=3 3278 B18R2.7563 CCOc1ccccc1NCc2ncoc2C 34a_100000211218_200000693990 [0,1,1,0,0,0|2,0,0]=4 3279 B18R2.7563 CCOc1ccccc1SCc2nc[nH]c2C 62a_100000230754_100000751220 [0,1,1,0,0,0|2,0,0]=4 3280 B18R2.7563 CCOc1ccccc1SCc2nc[nH]c2C 62a_100000751220_100000230754 [0,1,1,0,0,0|2,0,0]=4 3281 B18R2.7563 CCSc1ccccc1NCc2nc[nH]c2C 207a_100011223125_100000032982 [0,1,1,0,0,0|1,0,0]=3 3282 B18R2.7563 CCSc1ccccc1NCc2ncoc2C 34a_100011223125_200000693990 [0,1,1,0,0,0|2,0,0]=4 3283 B18R2.7563 CCSc1ccccc1SCc2nc[nH]c2C 62a_100000230856_100000751220 [0,1,1,0,0,0|2,0,0]=4 3284 B18R2.7563 CCSc1ccccc1SCc2nc[nH]c2C 62a_100000751220_100000230856 [0,1,1,0,0,0|2,0,0]=4 3285 B18R2.7563 CNCc1ccccc1SCc2nc[nH]c2C 62a_100000184654_100000751220 [0,1,1,0,0,0|2,0,0]=4 3286 B18R2.7563 CNCc1ccccc1SCc2nc[nH]c2C 62a_100000751220_100000184654 [0,1,1,0,0,0|2,0,0]=4 3287 B18R2.7563 COCc1ccccc1SCc2nc[nH]c2C 62a_100000751220_100011493684 [0,1,1,0,0,0|2,0,0]=4 3288 B18R2.7563 COCc1ccccc1SCc2nc[nH]c2C 62a_100011493684_100000751220 [0,1,1,0,0,0|2,0,0]=4 3289 B18R2.7563 CSCc1ccccc1SCc2nc[nH]c2C 62a_100000148299_100000751220 [0,1,1,0,0,0|2,0,0]=4 3290 B18R2.7563 CSCc1ccccc1SCc2nc[nH]c2C 62a_100000751220_100000148299 [0,1,1,0,0,0|2,0,0]=4 3291 B18R2.7563 Cc1[nH]cnc1CNc2ccccc2CCO 207a_100011215289_100000032982 [0,1,1,0,0,0|1,0,0]=3 3292 B18R2.7563 Cc1[nH]cnc1CNc2ccccc2CCO 2230a_100011215289_100000751220 [0,1,1,0,0,0|1,0,0]=3 3293 B18R2.7563 Cc1[nH]cnc1CSc2ccccc2CCN 62a_100000747383_100000751220 [0,1,1,0,0,0|2,0,0]=4 3294 B18R2.7563 Cc1[nH]cnc1CSc2ccccc2CCN 62a_100000751220_100000747383 [0,1,1,0,0,0|2,0,0]=4 3295 B18R2.7563 Cc1[nH]cnc1CSc2ccccc2CCO 62a_100000731337_100000751220 [0,1,1,0,0,0|2,0,0]=4 3296 B18R2.7563 Cc1[nH]cnc1CSc2ccccc2CCO 62a_100000751220_100000731337 [0,1,1,0,0,0|2,0,0]=4 3297 B18R2.7563 Cc1ocnc1CNc2ccccc2CCO 2230a_100011215289_200000693990 [0,1,1,0,0,0|2,0,0]=4 3298 B18R2.7563 Cc1ocnc1CNc2ccccc2CCO 34a_100011215289_200000693990 [0,1,1,0,0,0|2,0,0]=4 3299 B18R2.8560 C#CCOc1ccccc1NCc2c[nH]cn2 34a_100000707309_100000707719 [0,1,1,0,0,0|0,0,2]=4 3300 B18R2.8560 C=CCSc1ccccc1NCc2c[nH]cn2 2230a_100000198565_100000707719 [0,1,1,0,0,0|0,0,2]=4 3301 B18R2.8560 CCCCc1ccccc1NCc2c[nH]cn2 2230a_200011217597_100000707719 [0,1,1,0,0,0|0,0,0]=2 3302 B18R2.8560 CCCCc1ccccc1NCc2c[nH]cn2 34a_200011217597_100000707719 [0,1,1,0,0,0|0,0,0]=2 3303 B18R2.8560 CCCCc1ccccc1NCc2cc[nH]n2 207a_200011217597_100000738523 [0,1,1,0,0,0|2,0,0]=4 3304 B18R2.8560 CCCCc1ccccc1NCc2ccco2 207a_200011217597_100000186105 [0,1,1,0,0,0|2,0,0]=4 3305 B18R2.8560 CCCCc1ccccc1NCc2ccco2 270302a_200011217597_100000186105 [0,1,1,0,0,0|2,0,0]=4 3306 B18R2.8560 CCCCc1ccccc1NCc2cccs2 207a_200011217597_100000209959 [0,1,1,0,0,0|2,0,0]=4 3307 B18R2.8560 CCCCc1ccccc1NCc2cccs2 270302a_200011217597_100000209959 [0,1,1,0,0,0|2,0,0]=4 3308 B18R2.8560 CCCCc1ccccc1NCc2ccoc2 207a_200011217597_100011215517 [0,1,1,0,0,0|2,0,0]=4 3309 B18R2.8560 CCCCc1ccccc1NCc2ccon2 2230a_200011217597_100000234950 [0,1,1,0,0,0|2,0,0]=4 3310 B18R2.8560 CCCCc1ccccc1NCc2ccon2 34a_200011217597_100000234950 [0,1,1,0,0,0|2,0,0]=4 3311 B18R2.8560 CCCCc1ccccc1NCc2ccon2 7a_200011217597_100000234950 [0,1,1,0,0,0|2,0,0]=4 3312 B18R2.8560 CCCCc1ccccc1NCc2ccsc2 207a_200011217597_100000188534 [0,1,1,0,0,0|2,0,0]=4 3313 B18R2.8560 CCCCc1ccccc1NCc2ccsc2 2230a_200011217597_100011261437 [0,1,1,0,0,0|2,0,0]=4 3314 B18R2.8560 CCCCc1ccccc1NCc2ccsc2 270302a_200011217597_100000188534 [0,1,1,0,0,0|2,0,0]=4 3315 B18R2.8560 CCCCc1ccccc1NCc2ccsc2 34a_200011217597_100011261437 [0,1,1,0,0,0|2,0,0]=4 3316 B18R2.8560 CCCCc1ccccc1NCc2ccsc2 7a_200011217597_100011261437 [0,1,1,0,0,0|2,0,0]=4 3317 B18R2.8560 CCCCc1ccccc1NCc2cn[nH]c2 207a_200011217597_100016992096 [0,1,1,0,0,0|2,0,0]=4 3318 B18R2.8560 CCCCc1ccccc1NCc2cn[nH]c2 270302a_200011217597_100016992096 [0,1,1,0,0,0|2,0,0]=4 3319 B18R2.8560 CCCCc1ccccc1NCc2cnc[nH]2 207a_200011217597_100000742939 [0,1,1,0,0,0|0,0,2]=4 3320 B18R2.8560 CCCCc1ccccc1NCc2cncs2 207a_200011217597_100000749870 [0,1,1,0,0,0|1,0,1]=4 3321 B18R2.8560 CCCCc1ccccc1NCc2cncs2 2230a_200011217597_100015185245 [0,1,1,0,0,0|1,0,1]=4 3322 B18R2.8560 CCCCc1ccccc1NCc2cncs2 270302a_200011217597_100000749870 [0,1,1,0,0,0|1,0,1]=4 3323 B18R2.8560 CCCCc1ccccc1NCc2cncs2 34a_200011217597_100015185245 [0,1,1,0,0,0|1,0,1]=4 3324 B18R2.8560 CCCCc1ccccc1NCc2cncs2 7a_200011217597_100015185245 [0,1,1,0,0,0|1,0,1]=4 3325 B18R2.8560 CCCCc1ccccc1NCc2cscn2 207a_200011217597_100000743575 [0,1,1,0,0,0|1,0,0]=3 3326 B18R2.8560 CCCCc1ccccc1NCc2cscn2 2230a_200011217597_100000205941 [0,1,1,0,0,0|1,0,0]=3 3327 B18R2.8560 CCCCc1ccccc1NCc2cscn2 270302a_200011217597_100000743575 [0,1,1,0,0,0|1,0,0]=3 3328 B18R2.8560 CCCCc1ccccc1NCc2cscn2 34a_200011217597_100000205941 [0,1,1,0,0,0|1,0,0]=3 3329 B18R2.8560 CCCCc1ccccc1NCc2cscn2 7a_200011217597_100000205941 [0,1,1,0,0,0|1,0,0]=3 3330 B18R2.8560 CCCCc1ccccc1NCc2ncc[nH]2 207a_200011217597_100000743867 [0,1,1,0,0,0|2,0,0]=4 3331 B18R2.8560 CCCCc1ccccc1NCc2ncc[nH]2 2230a_200011217597_100016991755 [0,1,1,0,0,0|2,0,0]=4 3332 B18R2.8560 CCCCc1ccccc1NCc2ncc[nH]2 34a_200011217597_100016991755 [0,1,1,0,0,0|2,0,0]=4 3333 B18R2.8560 CCCCc1ccccc1NCc2ncc[nH]2 7a_200011217597_100000753453 [0,1,1,0,0,0|2,0,0]=4 3334 B18R2.8560 CCCCc1ccccc1NCc2ncco2 2230a_200011217597_103436540062 [0,1,1,0,0,0|2,0,0]=4 3335 B18R2.8560 CCCCc1ccccc1NCc2ncco2 34a_200011217597_103436540062 [0,1,1,0,0,0|2,0,0]=4 3336 B18R2.8560 CCCCc1ccccc1NCc2ncco2 7a_200011217597_103436540062 [0,1,1,0,0,0|2,0,0]=4 3337 B18R2.8560 CCCCc1ccccc1NCc2nccs2 207a_200011217597_100000750902 [0,1,1,0,0,0|2,0,0]=4 3338 B18R2.8560 CCCCc1ccccc1NCc2nccs2 2230a_200011217597_100015184050 [0,1,1,0,0,0|2,0,0]=4 3339 B18R2.8560 CCCCc1ccccc1NCc2nccs2 270302a_200011217597_100000750902 [0,1,1,0,0,0|2,0,0]=4 3340 B18R2.8560 CCCCc1ccccc1NCc2nccs2 34a_200011217597_100015184050 [0,1,1,0,0,0|2,0,0]=4 3341 B18R2.8560 CCCCc1ccccc1NCc2nccs2 7a_200011217597_100015184050 [0,1,1,0,0,0|2,0,0]=4 3342 B18R2.8560 CCCCc1ccccc1NCc2ncon2 34a_200011217597_100000233494 [0,1,1,0,0,0|2,0,0]=4 3343 B18R2.8560 CCCCc1ccccc1NCn2cncn2 2230a_200011217597_200020645497 [0,1,1,0,0,0|1,0,1]=4 3344 B18R2.8560 CCCCc1ccccc1NCn2cncn2 34a_200011217597_200020645497 [0,1,1,0,0,0|1,0,1]=4 3345 B18R2.8560 CCCCc1ccccc1NCn2cncn2 7a_200011217597_200020645497 [0,1,1,0,0,0|1,0,1]=4 3346 B18R2.8560 CCCCc1ncncc1NCc2c[nH]cn2 27a_100000758547_200009816989 [0,1,1,0,0,0|2,0,0]=4 3347 B18R2.8560 CCCOc1ccccc1NCc2c[nH]cn2 27a_100000758547_100000174042 [0,1,1,0,0,0|0,0,0]=2 3348 B18R2.8560 CCCOc1ccccc1NCc2c[nH]cn2 34a_100000683936_100000707719 [0,1,1,0,0,0|0,0,0]=2 3349 B18R2.8560 CCCOc1ccccc1NCc2c[nH]nn2 27a_100020620823_100000174042 [0,1,1,0,0,0|1,0,0]=3 3350 B18R2.8560 CCCOc1ccccc1NCc2cc[nH]n2 207a_100000683936_100000738523 [0,1,1,0,0,0|2,0,0]=4 3351 B18R2.8560 CCCOc1ccccc1NCc2cc[nH]n2 27a_100000739516_100000174042 [0,1,1,0,0,0|2,0,0]=4 3352 B18R2.8560 CCCOc1ccccc1NCc2ccco2 207a_100000683936_100000186105 [0,1,1,0,0,0|2,0,0]=4 3353 B18R2.8560 CCCOc1ccccc1NCc2ccco2 270302a_100000683936_100000186105 [0,1,1,0,0,0|2,0,0]=4 3354 B18R2.8560 CCCOc1ccccc1NCc2ccco2 27a_100000185738_100000174042 [0,1,1,0,0,0|2,0,0]=4 3355 B18R2.8560 CCCOc1ccccc1NCc2cccs2 207a_100000683936_100000209959 [0,1,1,0,0,0|2,0,0]=4 3356 B18R2.8560 CCCOc1ccccc1NCc2cccs2 270302a_100000683936_100000209959 [0,1,1,0,0,0|2,0,0]=4 3357 B18R2.8560 CCCOc1ccccc1NCc2cccs2 27a_100000211653_100000174042 [0,1,1,0,0,0|2,0,0]=4 3358 B18R2.8560 CCCOc1ccccc1NCc2ccoc2 207a_100000683936_100011215517 [0,1,1,0,0,0|2,0,0]=4 3359 B18R2.8560 CCCOc1ccccc1NCc2ccoc2 27a_100015206860_100000174042 [0,1,1,0,0,0|2,0,0]=4 3360 B18R2.8560 CCCOc1ccccc1NCc2ccon2 27a_100000688301_100000174042 [0,1,1,0,0,0|2,0,0]=4 3361 B18R2.8560 CCCOc1ccccc1NCc2ccon2 34a_100000683936_100000234950 [0,1,1,0,0,0|2,0,0]=4 3362 B18R2.8560 CCCOc1ccccc1NCc2ccsc2 207a_100000683936_100000188534 [0,1,1,0,0,0|2,0,0]=4 3363 B18R2.8560 CCCOc1ccccc1NCc2ccsc2 270302a_100000683936_100000188534 [0,1,1,0,0,0|2,0,0]=4 3364 B18R2.8560 CCCOc1ccccc1NCc2ccsc2 27a_100000186416_100000174042 [0,1,1,0,0,0|2,0,0]=4 3365 B18R2.8560 CCCOc1ccccc1NCc2ccsc2 34a_100000683936_100011261437 [0,1,1,0,0,0|2,0,0]=4 3366 B18R2.8560 CCCOc1ccccc1NCc2cn[nH]c2 207a_100000683936_100016992096 [0,1,1,0,0,0|2,0,0]=4 3367 B18R2.8560 CCCOc1ccccc1NCc2cn[nH]c2 270302a_100000683936_100016992096 [0,1,1,0,0,0|2,0,0]=4 3368 B18R2.8560 CCCOc1ccccc1NCc2cn[nH]c2 27a_100000737208_100000174042 [0,1,1,0,0,0|2,0,0]=4 3369 B18R2.8560 CCCOc1ccccc1NCc2cnc[nH]2 207a_100000683936_100000742939 [0,1,1,0,0,0|0,0,2]=4 3370 B18R2.8560 CCCOc1ccccc1NCc2cnco2 27a_100020634212_100000174042 [0,1,1,0,0,0|1,0,1]=4 3371 B18R2.8560 CCCOc1ccccc1NCc2cncs2 207a_100000683936_100000749870 [0,1,1,0,0,0|1,0,1]=4 3372 B18R2.8560 CCCOc1ccccc1NCc2cncs2 270302a_100000683936_100000749870 [0,1,1,0,0,0|1,0,1]=4 3373 B18R2.8560 CCCOc1ccccc1NCc2cncs2 27a_100016987365_100000174042 [0,1,1,0,0,0|1,0,1]=4 3374 B18R2.8560 CCCOc1ccccc1NCc2cncs2 34a_100000683936_100015185245 [0,1,1,0,0,0|1,0,1]=4 3375 B18R2.8560 CCCOc1ccccc1NCc2cocn2 27a_100015188801_100000174042 [0,1,1,0,0,0|1,0,0]=3 3376 B18R2.8560 CCCOc1ccccc1NCc2cscn2 207a_100000683936_100000743575 [0,1,1,0,0,0|1,0,0]=3 3377 B18R2.8560 CCCOc1ccccc1NCc2cscn2 270302a_100000683936_100000743575 [0,1,1,0,0,0|1,0,0]=3 3378 B18R2.8560 CCCOc1ccccc1NCc2cscn2 27a_100015185402_100000174042 [0,1,1,0,0,0|1,0,0]=3 3379 B18R2.8560 CCCOc1ccccc1NCc2cscn2 34a_100000683936_100000205941 [0,1,1,0,0,0|1,0,0]=3 3380 B18R2.8560 CCCOc1ccccc1NCc2ncc[nH]2 207a_100000683936_100000743867 [0,1,1,0,0,0|2,0,0]=4 3381 B18R2.8560 CCCOc1ccccc1NCc2ncc[nH]2 27a_100000754540_100000174042 [0,1,1,0,0,0|2,0,0]=4 3382 B18R2.8560 CCCOc1ccccc1NCc2ncc[nH]2 34a_100000683936_100016991755 [0,1,1,0,0,0|2,0,0]=4 3383 B18R2.8560 CCCOc1ccccc1NCc2ncco2 27a_100016994969_100000174042 [0,1,1,0,0,0|2,0,0]=4 3384 B18R2.8560 CCCOc1ccccc1NCc2ncco2 34a_100000683936_103436540062 [0,1,1,0,0,0|2,0,0]=4 3385 B18R2.8560 CCCOc1ccccc1NCc2nccs2 207a_100000683936_100000750902 [0,1,1,0,0,0|2,0,0]=4 3386 B18R2.8560 CCCOc1ccccc1NCc2nccs2 270302a_100000683936_100000750902 [0,1,1,0,0,0|2,0,0]=4 3387 B18R2.8560 CCCOc1ccccc1NCc2nccs2 27a_100000740555_100000174042 [0,1,1,0,0,0|2,0,0]=4 3388 B18R2.8560 CCCOc1ccccc1NCc2nccs2 34a_100000683936_100015184050 [0,1,1,0,0,0|2,0,0]=4 3389 B18R2.8560 CCCOc1ccccc1NCc2ncon2 34a_100000683936_100000233494 [0,1,1,0,0,0|2,0,0]=4 3390 B18R2.8560 CCCOc1ccccc1NCn2cncn2 34a_100000683936_200020645497 [0,1,1,0,0,0|1,0,1]=4 3391 B18R2.8560 CCCOc1ccccc1OCc2c[nH]cn2 34a_100000180214_100000707719 [0,1,1,0,0,0|1,0,0]=3 3392 B18R2.8560 CCCOc1ccccc1OCc2cscn2 34a_100000180214_100000205941 [0,1,1,0,0,0|2,0,0]=4 3393 B18R2.8560 CCCOc1ccccc1OCc2cscn2 7a_100000180214_100000205941 [0,1,1,0,0,0|2,0,0]=4 3394 B18R2.8560 CCCOc1ccccc1SCc2c[nH]cn2 62a_100000174042_100000707719 [0,1,1,0,0,0|1,0,0]=3 3395 B18R2.8560 CCCOc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000174042 [0,1,1,0,0,0|1,0,0]=3 3396 B18R2.8560 CCCOc1ccccc1SCc2cscn2 62a_100000174042_100000205941 [0,1,1,0,0,0|2,0,0]=4 3397 B18R2.8560 CCCOc1ccccc1SCc2cscn2 62a_100000205941_100000174042 [0,1,1,0,0,0|2,0,0]=4 3398 B18R2.8560 CCCOc1ncccc1SCc2c[nH]cn2 62a_100000707719_200011465209 [0,1,1,0,0,0|2,0,0]=4 3399 B18R2.8560 CCCOc1ncccc1SCc2c[nH]cn2 62a_200011465209_100000707719 [0,1,1,0,0,0|2,0,0]=4 3400 B18R2.8560 CCCSc1ccccc1NCc2c[nH]cn2 34a_100015184514_100000707719 [0,1,1,0,0,0|0,0,0]=2 3401 B18R2.8560 CCCSc1ccccc1NCc2cc[nH]n2 207a_100015184514_100000738523 [0,1,1,0,0,0|2,0,0]=4 3402 B18R2.8560 CCCSc1ccccc1NCc2ccco2 207a_100015184514_100000186105 [0,1,1,0,0,0|2,0,0]=4 3403 B18R2.8560 CCCSc1ccccc1NCc2ccco2 270302a_100015184514_100000186105 [0,1,1,0,0,0|2,0,0]=4 3404 B18R2.8560 CCCSc1ccccc1NCc2cccs2 207a_100015184514_100000209959 [0,1,1,0,0,0|2,0,0]=4 3405 B18R2.8560 CCCSc1ccccc1NCc2cccs2 270302a_100015184514_100000209959 [0,1,1,0,0,0|2,0,0]=4 3406 B18R2.8560 CCCSc1ccccc1NCc2ccoc2 207a_100015184514_100011215517 [0,1,1,0,0,0|2,0,0]=4 3407 B18R2.8560 CCCSc1ccccc1NCc2ccon2 34a_100015184514_100000234950 [0,1,1,0,0,0|2,0,0]=4 3408 B18R2.8560 CCCSc1ccccc1NCc2ccon2 7a_100015184514_100000234950 [0,1,1,0,0,0|2,0,0]=4 3409 B18R2.8560 CCCSc1ccccc1NCc2ccsc2 207a_100015184514_100000188534 [0,1,1,0,0,0|2,0,0]=4 3410 B18R2.8560 CCCSc1ccccc1NCc2ccsc2 270302a_100015184514_100000188534 [0,1,1,0,0,0|2,0,0]=4 3411 B18R2.8560 CCCSc1ccccc1NCc2ccsc2 34a_100015184514_100011261437 [0,1,1,0,0,0|2,0,0]=4 3412 B18R2.8560 CCCSc1ccccc1NCc2ccsc2 7a_100015184514_100011261437 [0,1,1,0,0,0|2,0,0]=4 3413 B18R2.8560 CCCSc1ccccc1NCc2cn[nH]c2 207a_100015184514_100016992096 [0,1,1,0,0,0|2,0,0]=4 3414 B18R2.8560 CCCSc1ccccc1NCc2cn[nH]c2 270302a_100015184514_100016992096 [0,1,1,0,0,0|2,0,0]=4 3415 B18R2.8560 CCCSc1ccccc1NCc2cnc[nH]2 207a_100015184514_100000742939 [0,1,1,0,0,0|0,0,2]=4 3416 B18R2.8560 CCCSc1ccccc1NCc2cncs2 207a_100015184514_100000749870 [0,1,1,0,0,0|1,0,1]=4 3417 B18R2.8560 CCCSc1ccccc1NCc2cncs2 270302a_100015184514_100000749870 [0,1,1,0,0,0|1,0,1]=4 3418 B18R2.8560 CCCSc1ccccc1NCc2cncs2 34a_100015184514_100015185245 [0,1,1,0,0,0|1,0,1]=4 3419 B18R2.8560 CCCSc1ccccc1NCc2cncs2 7a_100015184514_100015185245 [0,1,1,0,0,0|1,0,1]=4 3420 B18R2.8560 CCCSc1ccccc1NCc2cscn2 207a_100015184514_100000743575 [0,1,1,0,0,0|1,0,0]=3 3421 B18R2.8560 CCCSc1ccccc1NCc2cscn2 270302a_100015184514_100000743575 [0,1,1,0,0,0|1,0,0]=3 3422 B18R2.8560 CCCSc1ccccc1NCc2cscn2 34a_100015184514_100000205941 [0,1,1,0,0,0|1,0,0]=3 3423 B18R2.8560 CCCSc1ccccc1NCc2cscn2 7a_100015184514_100000205941 [0,1,1,0,0,0|1,0,0]=3 3424 B18R2.8560 CCCSc1ccccc1NCc2ncc[nH]2 207a_100015184514_100000743867 [0,1,1,0,0,0|2,0,0]=4 3425 B18R2.8560 CCCSc1ccccc1NCc2ncc[nH]2 34a_100015184514_100016991755 [0,1,1,0,0,0|2,0,0]=4 3426 B18R2.8560 CCCSc1ccccc1NCc2ncc[nH]2 7a_100015184514_100000753453 [0,1,1,0,0,0|2,0,0]=4 3427 B18R2.8560 CCCSc1ccccc1NCc2ncco2 34a_100015184514_103436540062 [0,1,1,0,0,0|2,0,0]=4 3428 B18R2.8560 CCCSc1ccccc1NCc2ncco2 7a_100015184514_103436540062 [0,1,1,0,0,0|2,0,0]=4 3429 B18R2.8560 CCCSc1ccccc1NCc2nccs2 207a_100015184514_100000750902 [0,1,1,0,0,0|2,0,0]=4 3430 B18R2.8560 CCCSc1ccccc1NCc2nccs2 270302a_100015184514_100000750902 [0,1,1,0,0,0|2,0,0]=4 3431 B18R2.8560 CCCSc1ccccc1NCc2nccs2 34a_100015184514_100015184050 [0,1,1,0,0,0|2,0,0]=4 3432 B18R2.8560 CCCSc1ccccc1NCc2nccs2 7a_100015184514_100015184050 [0,1,1,0,0,0|2,0,0]=4 3433 B18R2.8560 CCCSc1ccccc1NCc2ncon2 34a_100015184514_100000233494 [0,1,1,0,0,0|2,0,0]=4 3434 B18R2.8560 CCCSc1ccccc1NCn2cncn2 34a_100015184514_200020645497 [0,1,1,0,0,0|1,0,1]=4 3435 B18R2.8560 CCCSc1ccccc1NCn2cncn2 7a_100015184514_200020645497 [0,1,1,0,0,0|1,0,1]=4 3436 B18R2.8560 CCOCc1ccccc1SCc2c[nH]cn2 62a_100000707719_200011493690 [0,1,1,0,0,0|1,0,0]=3 3437 B18R2.8560 CCOCc1ccccc1SCc2c[nH]cn2 62a_200011493690_100000707719 [0,1,1,0,0,0|1,0,0]=3 3438 B18R2.8560 CCOCc1ccccc1SCc2cscn2 62a_100000205941_200011493690 [0,1,1,0,0,0|2,0,0]=4 3439 B18R2.8560 CCOCc1ccccc1SCc2cscn2 62a_200011493690_100000205941 [0,1,1,0,0,0|2,0,0]=4 3440 B18R2.8560 CCSCc1ccccc1SCc2c[nH]cn2 62a_100000707719_200000173030 [0,1,1,0,0,0|1,0,0]=3 3441 B18R2.8560 CCSCc1ccccc1SCc2c[nH]cn2 62a_200000173030_100000707719 [0,1,1,0,0,0|1,0,0]=3 3442 B18R2.8560 CCSCc1ccccc1SCc2cscn2 62a_100000205941_200000173030 [0,1,1,0,0,0|2,0,0]=4 3443 B18R2.8560 CCSCc1ccccc1SCc2cscn2 62a_200000173030_100000205941 [0,1,1,0,0,0|2,0,0]=4 3444 B18R2.8560 COCCc1ccccc1OCc2c[nH]cn2 34a_100000722730_100000707719 [0,1,1,0,0,0|1,0,0]=3 3445 B18R2.8560 COCCc1ccccc1OCc2cscn2 34a_100000722730_100000205941 [0,1,1,0,0,0|2,0,0]=4 3446 B18R2.8560 COCCc1ccccc1OCc2cscn2 7a_100000722730_100000205941 [0,1,1,0,0,0|2,0,0]=4 3447 B18R2.8560 COCOc1ccccc1SCc2c[nH]cn2 62a_100000707719_200000230759 [0,1,1,0,0,0|2,0,0]=4 3448 B18R2.8560 COCOc1ccccc1SCc2c[nH]cn2 62a_200000230759_100000707719 [0,1,1,0,0,0|2,0,0]=4 3449 B18R2.8560 FCCOc1ccccc1NCc2c[nH]cn2 34a_100012000959_100000707719 [0,1,1,0,0,0|1,0,0]=3 3450 B18R2.8560 FCCOc1ccccc1NCc2cscn2 207a_100012000959_100000743575 [0,1,1,0,0,0|2,0,0]=4 3451 B18R2.8560 FCCOc1ccccc1NCc2cscn2 270302a_100012000959_100000743575 [0,1,1,0,0,0|2,0,0]=4 3452 B18R2.8560 FCCOc1ccccc1NCc2cscn2 34a_100012000959_100000205941 [0,1,1,0,0,0|2,0,0]=4 3453 B18R2.8560 FCCOc1cccnc1NCc2c[nH]cn2 27a_100000758547_100012814765 [0,1,1,0,0,0|2,0,0]=4 3454 B18R2.8560 NCCOc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000744007 [0,1,1,0,0,0|2,0,0]=4 3455 B18R2.8560 NCCOc1ccccc1SCc2c[nH]cn2 62a_100000744007_100000707719 [0,1,1,0,0,0|2,0,0]=4 3456 B18R2.8560 O=CCCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100011713448 [0,1,1,0,0,0|1,0,1]=4 3457 B18R2.8560 O=CCCc1ccccc1SCc2c[nH]cn2 62a_100011713448_100000707719 [0,1,1,0,0,0|1,0,1]=4 3458 B18R2.8560 OCCCc1ccccc1SCc2c[nH]cn2 62a_100000699526_100000707719 [0,1,1,0,0,0|1,0,0]=3 3459 B18R2.8560 OCCCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000699526 [0,1,1,0,0,0|1,0,0]=3 3460 B18R2.8560 OCCCc1ccccc1SCc2cscn2 62a_100000205941_100000699526 [0,1,1,0,0,0|2,0,0]=4 3461 B18R2.8560 OCCCc1ccccc1SCc2cscn2 62a_100000699526_100000205941 [0,1,1,0,0,0|2,0,0]=4 3462 B18R2.8560 OCCOc1ccccc1NCc2c[nH]cn2 34a_100132302172_100000707719 [0,1,1,0,0,0|1,0,0]=3 3463 B18R2.8560 OCCOc1ccccc1NCc2cscn2 207a_100132302172_100000743575 [0,1,1,0,0,0|2,0,0]=4 3464 B18R2.8560 OCCOc1ccccc1NCc2cscn2 270302a_100132302172_100000743575 [0,1,1,0,0,0|2,0,0]=4 3465 B18R2.8560 OCCOc1ccccc1NCc2cscn2 34a_100132302172_100000205941 [0,1,1,0,0,0|2,0,0]=4 3466 B18R2.8560 OCCOc1ccccc1OCc2c[nH]cn2 34a_100000181789_100000707719 [0,1,1,0,0,0|2,0,0]=4 3467 B18R2.8560 OCCOc1ccccc1SCc2c[nH]cn2 62a_100000230753_100000707719 [0,1,1,0,0,0|2,0,0]=4 3468 B18R2.8560 OCCOc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000230753 [0,1,1,0,0,0|2,0,0]=4 3469 B18R2.8560 OCCSc1ccccc1SCc2c[nH]cn2 62a_100000707719_200000230852 [0,1,1,0,0,0|2,0,0]=4 3470 B18R2.8560 OCCSc1ccccc1SCc2c[nH]cn2 62a_200000230852_100000707719 [0,1,1,0,0,0|2,0,0]=4 3471 B18R2.9495 CCC(C)c1ccccc1NCc2c[nH]cn2 2230a_200000211393_100000707719 [0,1,1,0,0,0|0,0,0]=2 3472 B18R2.9495 CCC(C)c1ccccc1NCc2cc[nH]n2 207a_200000211393_100000738523 [0,1,1,0,0,0|2,0,0]=4 3473 B18R2.9495 CCC(C)c1ccccc1NCc2ccco2 207a_200000211393_100000186105 [0,1,1,0,0,0|2,0,0]=4 3474 B18R2.9495 CCC(C)c1ccccc1NCc2ccco2 270302a_200000211393_100000186105 [0,1,1,0,0,0|2,0,0]=4 3475 B18R2.9495 CCC(C)c1ccccc1NCc2cccs2 207a_200000211393_100000209959 [0,1,1,0,0,0|2,0,0]=4 3476 B18R2.9495 CCC(C)c1ccccc1NCc2cccs2 270302a_200000211393_100000209959 [0,1,1,0,0,0|2,0,0]=4 3477 B18R2.9495 CCC(C)c1ccccc1NCc2ccoc2 207a_200000211393_100011215517 [0,1,1,0,0,0|2,0,0]=4 3478 B18R2.9495 CCC(C)c1ccccc1NCc2ccon2 2230a_200000211393_100000234950 [0,1,1,0,0,0|2,0,0]=4 3479 B18R2.9495 CCC(C)c1ccccc1NCc2ccon2 7a_200000211393_100000234950 [0,1,1,0,0,0|2,0,0]=4 3480 B18R2.9495 CCC(C)c1ccccc1NCc2ccsc2 207a_200000211393_100000188534 [0,1,1,0,0,0|2,0,0]=4 3481 B18R2.9495 CCC(C)c1ccccc1NCc2ccsc2 2230a_200000211393_100011261437 [0,1,1,0,0,0|2,0,0]=4 3482 B18R2.9495 CCC(C)c1ccccc1NCc2ccsc2 270302a_200000211393_100000188534 [0,1,1,0,0,0|2,0,0]=4 3483 B18R2.9495 CCC(C)c1ccccc1NCc2ccsc2 7a_200000211393_100011261437 [0,1,1,0,0,0|2,0,0]=4 3484 B18R2.9495 CCC(C)c1ccccc1NCc2cn[nH]c2 207a_200000211393_100016992096 [0,1,1,0,0,0|2,0,0]=4 3485 B18R2.9495 CCC(C)c1ccccc1NCc2cn[nH]c2 270302a_200000211393_100016992096 [0,1,1,0,0,0|2,0,0]=4 3486 B18R2.9495 CCC(C)c1ccccc1NCc2cnc[nH]2 207a_200000211393_100000742939 [0,1,1,0,0,0|0,0,2]=4 3487 B18R2.9495 CCC(C)c1ccccc1NCc2cncs2 207a_200000211393_100000749870 [0,1,1,0,0,0|1,0,1]=4 3488 B18R2.9495 CCC(C)c1ccccc1NCc2cncs2 2230a_200000211393_100015185245 [0,1,1,0,0,0|1,0,1]=4 3489 B18R2.9495 CCC(C)c1ccccc1NCc2cncs2 270302a_200000211393_100000749870 [0,1,1,0,0,0|1,0,1]=4 3490 B18R2.9495 CCC(C)c1ccccc1NCc2cncs2 7a_200000211393_100015185245 [0,1,1,0,0,0|1,0,1]=4 3491 B18R2.9495 CCC(C)c1ccccc1NCc2cscn2 207a_200000211393_100000743575 [0,1,1,0,0,0|1,0,0]=3 3492 B18R2.9495 CCC(C)c1ccccc1NCc2cscn2 2230a_200000211393_100000205941 [0,1,1,0,0,0|1,0,0]=3 3493 B18R2.9495 CCC(C)c1ccccc1NCc2cscn2 270302a_200000211393_100000743575 [0,1,1,0,0,0|1,0,0]=3 3494 B18R2.9495 CCC(C)c1ccccc1NCc2cscn2 7a_200000211393_100000205941 [0,1,1,0,0,0|1,0,0]=3 3495 B18R2.9495 CCC(C)c1ccccc1NCc2ncc[nH]2 207a_200000211393_100000743867 [0,1,1,0,0,0|2,0,0]=4 3496 B18R2.9495 CCC(C)c1ccccc1NCc2ncc[nH]2 2230a_200000211393_100016991755 [0,1,1,0,0,0|2,0,0]=4 3497 B18R2.9495 CCC(C)c1ccccc1NCc2ncc[nH]2 7a_200000211393_100000753453 [0,1,1,0,0,0|2,0,0]=4 3498 B18R2.9495 CCC(C)c1ccccc1NCc2ncco2 2230a_200000211393_103436540062 [0,1,1,0,0,0|2,0,0]=4 3499 B18R2.9495 CCC(C)c1ccccc1NCc2ncco2 7a_200000211393_103436540062 [0,1,1,0,0,0|2,0,0]=4 3500 B18R2.9495 CCC(C)c1ccccc1NCc2nccs2 207a_200000211393_100000750902 [0,1,1,0,0,0|2,0,0]=4 3501 B18R2.9495 CCC(C)c1ccccc1NCc2nccs2 2230a_200000211393_100015184050 [0,1,1,0,0,0|2,0,0]=4 3502 B18R2.9495 CCC(C)c1ccccc1NCc2nccs2 270302a_200000211393_100000750902 [0,1,1,0,0,0|2,0,0]=4 3503 B18R2.9495 CCC(C)c1ccccc1NCc2nccs2 7a_200000211393_100015184050 [0,1,1,0,0,0|2,0,0]=4 3504 B18R2.9495 CCC(C)c1ccccc1NCn2cncn2 2230a_200000211393_200020645497 [0,1,1,0,0,0|1,0,1]=4 3505 B18R2.9495 CCC(C)c1ccccc1NCn2cncn2 7a_200000211393_200020645497 [0,1,1,0,0,0|1,0,1]=4 3506 B18R2.9495 CCC(C)c1ccccc1OCc2cscn2 7a_100000211618_100000205941 [0,1,1,0,0,0|2,0,0]=4 3507 B18R2.9495 CCN(C)c1ccccc1NCc2cscn2 207a_103437849306_100000743575 [0,1,1,0,0,0|2,0,0]=4 3508 B18R2.9495 CCN(C)c1ccccc1NCc2cscn2 270302a_103437849306_100000743575 [0,1,1,0,0,0|2,0,0]=4 3509 B18R2.9495 CNC(=O)c1ccccc1NCc2c[nH]cn2 27a_100000758547_100000155073 [0,1,1,0,0,0|1,0,1]=4 3510 B18R2.9495 CNC(=O)c1ccccc1NCc2c[nH]cn2 34a_100000185696_100000707719 [0,1,1,0,0,0|1,0,1]=4 3511 B18R2.9495 CNC(C)c1ccccc1SCc2c[nH]cn2 62a_100000692418_100000707719 [0,1,1,0,0,0|2,0,0]=4 3512 B18R2.9495 CNC(C)c1ccccc1SCc2c[nH]cn2 62a_100000707719_100000692418 [0,1,1,0,0,0|2,0,0]=4 3513 B18R2.9495 NCC(O)c1ccccc1SCc2c[nH]cn2 62a_100000707719_100011236429 [0,1,1,0,0,0|2,0,0]=4 3514 B18R2.9495 NCC(O)c1ccccc1SCc2c[nH]cn2 62a_100011236429_100000707719 [0,1,1,0,0,0|2,0,0]=4 3515 B18R2.9495 N[C@H](CO)c1ccccc1SCc2c[nH]cn2 62a_100000707719_100161155918 [0,1,1,0,0,0|2,0,0]=4 3516 B18R2.9495 N[C@H](CO)c1ccccc1SCc2c[nH]cn2 62a_100161155918_100000707719 [0,1,1,0,0,0|2,0,0]=4 3517 B18R2.9915 CC(=O)Cc1ccccc1SCc2c[nH]cn2 62a_100000707719_100011350739 [0,1,1,0,0,0|1,0,1]=4 3518 B18R2.9915 CC(=O)Cc1ccccc1SCc2c[nH]cn2 62a_100011350739_100000707719 [0,1,1,0,0,0|1,0,1]=4 3519 B18R2.9915 CC(=O)Nc1ccccc1NCc2c[nH]cn2 34a_100011193560_100000707719 [0,1,1,0,0,0|1,0,1]=4 3520 B18R2.9915 CC(C)Nc1ccccc1SCc2c[nH]cn2 62a_100000219599_100000707719 [0,1,1,0,0,0|2,0,0]=4 3521 B18R2.9915 CC(C)Nc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000219599 [0,1,1,0,0,0|2,0,0]=4 3522 B18R2.9915 CC(C)Oc1ccccc1NCc2c[nH]cn2 2230a_100000739276_100000707719 [0,1,1,0,0,0|1,0,0]=3 3523 B18R2.9915 CC(C)Oc1ccccc1NCc2c[nH]cn2 34a_100000739276_100000707719 [0,1,1,0,0,0|1,0,0]=3 3524 B18R2.9915 CC(C)Oc1ccccc1NCc2cscn2 207a_100000739276_100000743575 [0,1,1,0,0,0|2,0,0]=4 3525 B18R2.9915 CC(C)Oc1ccccc1NCc2cscn2 2230a_100000739276_100000205941 [0,1,1,0,0,0|2,0,0]=4 3526 B18R2.9915 CC(C)Oc1ccccc1NCc2cscn2 270302a_100000739276_100000743575 [0,1,1,0,0,0|2,0,0]=4 3527 B18R2.9915 CC(C)Oc1ccccc1NCc2cscn2 34a_100000739276_100000205941 [0,1,1,0,0,0|2,0,0]=4 3528 B18R2.9915 CC(C)Oc1ccccc1OCc2c[nH]cn2 34a_100011218612_100000707719 [0,1,1,0,0,0|2,0,0]=4 3529 B18R2.9915 CC(C)Oc1ccccc1SCc2c[nH]cn2 62a_100000173919_100000707719 [0,1,1,0,0,0|2,0,0]=4 3530 B18R2.9915 CC(C)Oc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000173919 [0,1,1,0,0,0|2,0,0]=4 3531 B18R2.9915 CC(C)Sc1ccccc1NCc2c[nH]cn2 2230a_100000688217_100000707719 [0,1,1,0,0,0|1,0,0]=3 3532 B18R2.9915 CC(C)Sc1ccccc1NCc2c[nH]cn2 34a_100000688217_100000707719 [0,1,1,0,0,0|1,0,0]=3 3533 B18R2.9915 CC(C)Sc1ccccc1NCc2cscn2 207a_100000688217_100000743575 [0,1,1,0,0,0|2,0,0]=4 3534 B18R2.9915 CC(C)Sc1ccccc1NCc2cscn2 2230a_100000688217_100000205941 [0,1,1,0,0,0|2,0,0]=4 3535 B18R2.9915 CC(C)Sc1ccccc1NCc2cscn2 270302a_100000688217_100000743575 [0,1,1,0,0,0|2,0,0]=4 3536 B18R2.9915 CC(C)Sc1ccccc1NCc2cscn2 34a_100000688217_100000205941 [0,1,1,0,0,0|2,0,0]=4 3537 B18R2.9915 CN(C)Cc1ccccc1NCc2cscn2 207a_100015196887_100000743575 [0,1,1,0,0,0|2,0,0]=4 3538 B18R2.9915 CN(C)Cc1ccccc1NCc2cscn2 270302a_100015196887_100000743575 [0,1,1,0,0,0|2,0,0]=4 3539 B18R2.9915 CN(C)Cc1ccccc1SCc2c[nH]cn2 62a_100000174758_100000707719 [0,1,1,0,0,0|2,0,0]=4 3540 B18R2.9915 CN(C)Cc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000174758 [0,1,1,0,0,0|2,0,0]=4 3541 B18R2.9915 FC(F)Oc1ccccc1NCc2c[nH]cn2 2230a_100000182466_100000707719 [0,1,1,0,0,0|2,0,0]=4 3542 B18R2.9915 FC(F)Oc1ccccc1NCc2c[nH]cn2 34a_100000182466_100000707719 [0,1,1,0,0,0|2,0,0]=4 3543 B18R2.30633 CCCc1cnc(nc1NCc2c[nH]cn2)C 27a_100000758547_200000069602 [0,1,1,0,0,0|2,0,0]=4 3544 B18R2.30633 CCOc1ccc(cc1NCc2c[nH]cn2)Br 2230a_100000751366_100000707719 [0,1,1,0,0,0|1,0,0]=3 3545 B18R2.30633 CCOc1ccc(cc1NCc2c[nH]cn2)Br 34a_100000751366_100000707719 [0,1,1,0,0,0|1,0,0]=3 3546 B18R2.30633 CCOc1ccc(cc1NCc2c[nH]cn2)C 2230a_100011202655_100000707719 [0,1,1,0,0,0|1,0,0]=3 3547 B18R2.30633 CCOc1ccc(cc1NCc2c[nH]cn2)C 34a_100011202655_100000707719 [0,1,1,0,0,0|1,0,0]=3 3548 B18R2.30633 CCOc1ccc(cc1NCc2c[nH]cn2)Cl 2230a_100000742605_100000707719 [0,1,1,0,0,0|1,0,0]=3 3549 B18R2.30633 CCOc1ccc(cc1NCc2c[nH]cn2)Cl 34a_100000742605_100000707719 [0,1,1,0,0,0|1,0,0]=3 3550 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Br 207a_100000751366_100000743575 [0,1,1,0,0,0|2,0,0]=4 3551 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Br 2230a_100000751366_100000205941 [0,1,1,0,0,0|2,0,0]=4 3552 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Br 270302a_100000751366_100000743575 [0,1,1,0,0,0|2,0,0]=4 3553 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Br 34a_100000751366_100000205941 [0,1,1,0,0,0|2,0,0]=4 3554 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)C 207a_100011202655_100000743575 [0,1,1,0,0,0|2,0,0]=4 3555 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)C 2230a_100011202655_100000205941 [0,1,1,0,0,0|2,0,0]=4 3556 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)C 270302a_100011202655_100000743575 [0,1,1,0,0,0|2,0,0]=4 3557 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)C 34a_100011202655_100000205941 [0,1,1,0,0,0|2,0,0]=4 3558 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Cl 207a_100000742605_100000743575 [0,1,1,0,0,0|2,0,0]=4 3559 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Cl 2230a_100000742605_100000205941 [0,1,1,0,0,0|2,0,0]=4 3560 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Cl 270302a_100000742605_100000743575 [0,1,1,0,0,0|2,0,0]=4 3561 B18R2.30633 CCOc1ccc(cc1NCc2cscn2)Cl 34a_100000742605_100000205941 [0,1,1,0,0,0|2,0,0]=4 3562 B18R2.30633 CCOc1ccc(cc1SCc2c[nH]cn2)C 62a_100000707719_200000230997 [0,1,1,0,0,0|2,0,0]=4 3563 B18R2.30633 CCOc1ccc(cc1SCc2c[nH]cn2)C 62a_200000230997_100000707719 [0,1,1,0,0,0|2,0,0]=4 3564 B18R2.30633 CCOc1ccc(cc1SCc2c[nH]cn2)F 62a_100000171695_100000707719 [0,1,1,0,0,0|2,0,0]=4 3565 B18R2.30633 CCOc1ccc(cc1SCc2c[nH]cn2)F 62a_100000707719_100000171695 [0,1,1,0,0,0|2,0,0]=4 3566 B18R2.30633 CCSc1ccc(cc1NCc2c[nH]cn2)Cl 34a_100000752208_100000707719 [0,1,1,0,0,0|1,0,0]=3 3567 B18R2.30633 CCSc1ccc(cc1NCc2cscn2)Cl 207a_100000752208_100000743575 [0,1,1,0,0,0|2,0,0]=4 3568 B18R2.30633 CCSc1ccc(cc1NCc2cscn2)Cl 270302a_100000752208_100000743575 [0,1,1,0,0,0|2,0,0]=4 3569 B18R2.30633 CCSc1ccc(cc1NCc2cscn2)Cl 34a_100000752208_100000205941 [0,1,1,0,0,0|2,0,0]=4 3570 B18R2.30633 CNCc1ccc(cc1SCc2c[nH]cn2)F 62a_100000707719_200011192132 [0,1,1,0,0,0|2,0,0]=4 3571 B18R2.30633 CNCc1ccc(cc1SCc2c[nH]cn2)F 62a_200011192132_100000707719 [0,1,1,0,0,0|2,0,0]=4 3572 B18R2.30633 COCc1ccc(cc1NCc2c[nH]cn2)Br 34a_100013084866_100000707719 [0,1,1,0,0,0|1,0,0]=3 3573 B18R2.30633 COCc1ccc(cc1NCc2cscn2)Br 207a_100013084866_100000743575 [0,1,1,0,0,0|2,0,0]=4 3574 B18R2.30633 COCc1ccc(cc1NCc2cscn2)Br 270302a_100013084866_100000743575 [0,1,1,0,0,0|2,0,0]=4 3575 B18R2.30633 COCc1ccc(cc1NCc2cscn2)Br 34a_100013084866_100000205941 [0,1,1,0,0,0|2,0,0]=4 3576 B18R2.30633 COCc1ccc(cc1NCc2cscn2)Br 7a_100013084866_100000205941 [0,1,1,0,0,0|2,0,0]=4 3577 B18R2.54646 CCOc1cccc(c1NCc2c[nH]cn2)Br 34a_200103155331_100000707719 [0,1,1,0,0,0|1,0,0]=3 3578 B18R2.54646 CCOc1cccc(c1NCc2c[nH]cn2)Cl 34a_100012284057_100000707719 [0,1,1,0,0,0|1,0,0]=3 3579 B18R2.54646 CCOc1cccc(c1NCc2cscn2)Br 34a_200103155331_100000205941 [0,1,1,0,0,0|2,0,0]=4 3580 B18R2.54646 CCOc1cccc(c1NCc2cscn2)Cl 34a_100012284057_100000205941 [0,1,1,0,0,0|2,0,0]=4 3581 B18R2.73372 CCOc1cc(ccc1NCc2c[nH]cn2)Br 2230a_100000688918_100000707719 [0,1,1,0,0,0|1,0,0]=3 3582 B18R2.73372 CCOc1cc(ccc1NCc2c[nH]cn2)Br 34a_100000688918_100000707719 [0,1,1,0,0,0|1,0,0]=3 3583 B18R2.73372 CCOc1cc(ccc1NCc2c[nH]cn2)C 2230a_100000742043_100000707719 [0,1,1,0,0,0|1,0,0]=3 3584 B18R2.73372 CCOc1cc(ccc1NCc2c[nH]cn2)C 34a_100000742043_100000707719 [0,1,1,0,0,0|1,0,0]=3 3585 B18R2.73372 CCOc1cc(ccc1NCc2c[nH]cn2)Cl 34a_100000687649_100000707719 [0,1,1,0,0,0|1,0,0]=3 3586 B18R2.73372 CCOc1cc(ccc1NCc2c[nH]cn2)F 2230a_100000741351_100000707719 [0,1,1,0,0,0|1,0,0]=3 3587 B18R2.73372 CCOc1cc(ccc1NCc2c[nH]cn2)F 34a_100000741351_100000707719 [0,1,1,0,0,0|1,0,0]=3 3588 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)Br 207a_100000688918_100000743575 [0,1,1,0,0,0|2,0,0]=4 3589 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)Br 2230a_100000688918_100000205941 [0,1,1,0,0,0|2,0,0]=4 3590 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)Br 270302a_100000688918_100000743575 [0,1,1,0,0,0|2,0,0]=4 3591 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)Br 34a_100000688918_100000205941 [0,1,1,0,0,0|2,0,0]=4 3592 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)C 207a_100000742043_100000743575 [0,1,1,0,0,0|2,0,0]=4 3593 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)C 2230a_100000742043_100000205941 [0,1,1,0,0,0|2,0,0]=4 3594 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)C 270302a_100000742043_100000743575 [0,1,1,0,0,0|2,0,0]=4 3595 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)C 34a_100000742043_100000205941 [0,1,1,0,0,0|2,0,0]=4 3596 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)Cl 207a_100000687649_100000743575 [0,1,1,0,0,0|2,0,0]=4 3597 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)Cl 270302a_100000687649_100000743575 [0,1,1,0,0,0|2,0,0]=4 3598 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)Cl 34a_100000687649_100000205941 [0,1,1,0,0,0|2,0,0]=4 3599 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)F 207a_100000741351_100000743575 [0,1,1,0,0,0|2,0,0]=4 3600 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)F 2230a_100000741351_100000205941 [0,1,1,0,0,0|2,0,0]=4 3601 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)F 270302a_100000741351_100000743575 [0,1,1,0,0,0|2,0,0]=4 3602 B18R2.73372 CCOc1cc(ccc1NCc2cscn2)F 34a_100000741351_100000205941 [0,1,1,0,0,0|2,0,0]=4 3603 B18R2.73372 CCOc1cc(ccc1OCc2c[nH]cn2)C 34a_200000034294_100000707719 [0,1,1,0,0,0|2,0,0]=4 3604 B18R2.73372 CCOc1cc(ccc1SCc2c[nH]cn2)C 62a_100000707719_200010713166 [0,1,1,0,0,0|2,0,0]=4 3605 B18R2.73372 CCOc1cc(ccc1SCc2c[nH]cn2)C 62a_200010713166_100000707719 [0,1,1,0,0,0|2,0,0]=4 3606 B18R2.73372 CCOc1cc(ccc1SCc2c[nH]cn2)F 62a_100000707719_200012340411 [0,1,1,0,0,0|2,0,0]=4 3607 B18R2.73372 CCOc1cc(ccc1SCc2c[nH]cn2)F 62a_200012340411_100000707719 [0,1,1,0,0,0|2,0,0]=4 3608 B18R2.73372 CCOc1cc(ccc1SCc2c[nH]cn2)N 62a_100000707719_200016990551 [0,1,1,0,0,0|2,0,0]=4 3609 B18R2.73372 CCOc1cc(ccc1SCc2c[nH]cn2)N 62a_200016990551_100000707719 [0,1,1,0,0,0|2,0,0]=4 3610 B18R2.73372 CNCc1cc(ccc1OCc2c[nH]cn2)Br 34a_100011602694_100000707719 [0,1,1,0,0,0|2,0,0]=4 3611 B18R2.73372 CNCc1cc(ccc1OCc2c[nH]cn2)Cl 34a_100000712467_100000707719 [0,1,1,0,0,0|2,0,0]=4 3612 B18R2.73372 CNCc1cc(ccc1OCc2c[nH]cn2)F 34a_114855342409_100000707719 [0,1,1,0,0,0|2,0,0]=4 3613 B18R2.73372 COCc1cc(ccc1OCc2c[nH]cn2)F 34a_100135391359_100000707719 [0,1,1,0,0,0|2,0,0]=4 3614 B18R2.73372 N#CCc1cc(ccc1NCc2c[nH]cn2)Br 2230a_100010188562_100000707719 [0,1,1,0,0,0|1,0,1]=4 3615 B18R2.422084 CCOc1c(cccc1NCc2c[nH]cn2)Cl 2230a_100000744310_100000707719 [0,1,1,0,0,0|1,0,0]=3 3616 B18R2.422084 CCOc1c(cccc1NCc2c[nH]cn2)Cl 34a_100000744310_100000707719 [0,1,1,0,0,0|1,0,0]=3 3617 B18R2.422084 CCOc1c(cccc1NCc2cscn2)Cl 207a_100000744310_100000743575 [0,1,1,0,0,0|2,0,0]=4 3618 B18R2.422084 CCOc1c(cccc1NCc2cscn2)Cl 2230a_100000744310_100000205941 [0,1,1,0,0,0|2,0,0]=4 3619 B18R2.422084 CCOc1c(cccc1NCc2cscn2)Cl 270302a_100000744310_100000743575 [0,1,1,0,0,0|2,0,0]=4 3620 B18R2.422084 CCOc1c(cccc1NCc2cscn2)Cl 34a_100000744310_100000205941 [0,1,1,0,0,0|2,0,0]=4 3621 B18R2.422084 CCOc1c(cccc1SCc2c[nH]cn2)F 62a_100000707719_100010232518 [0,1,1,0,0,0|2,0,0]=4 3622 B18R2.422084 CCOc1c(cccc1SCc2c[nH]cn2)F 62a_100010232518_100000707719 [0,1,1,0,0,0|2,0,0]=4 3623 B18R2.422084 CNCc1c(cccc1SCc2c[nH]cn2)F 62a_100000707719_106744473292 [0,1,1,0,0,0|2,0,0]=4 3624 B18R2.422084 CNCc1c(cccc1SCc2c[nH]cn2)F 62a_106744473292_100000707719 [0,1,1,0,0,0|2,0,0]=4 3625 B18R2.32739 CC(C)N(Cc1c[nH]cn1)c2ccccc2Br 269982a_100000219599_100000707719 [0,1,1,0,0,0|1,0,0]=3 3626 B18R2.32739 CC(C)N(Cc1c[nH]cn1)c2ccccc2Br 34a_100000219599_100000707719 [0,1,1,0,0,0|1,0,0]=3 3627 B18R2.32739 CC(C)N(Cc1c[nH]cn1)c2ccccc2Cl 269982a_100000219376_100000707719 [0,1,1,0,0,0|1,0,0]=3 3628 B18R2.32739 CC(C)N(Cc1c[nH]cn1)c2ccccc2Cl 34a_100000219376_100000707719 [0,1,1,0,0,0|1,0,0]=3 3629 B18R2.32739 CC(C)N(Cc1c[nH]cn1)c2ccccc2F 269982a_100000220358_100000707719 [0,1,1,0,0,0|1,0,0]=3 3630 B18R2.32739 CC(C)N(Cc1c[nH]cn1)c2ccccc2F 34a_100000220358_100000707719 [0,1,1,0,0,0|1,0,0]=3 3631 B18R2.32739 CC(C)N(Cc1c[nH]cn1)c2ccccc2F 38a_100000220358_100000707719 [0,1,1,0,0,0|1,0,0]=3 3632 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2Br 269982a_100000219599_100000205941 [0,1,1,0,0,0|2,0,0]=4 3633 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2Br 34a_100000219599_100000205941 [0,1,1,0,0,0|2,0,0]=4 3634 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2Br 7a_100000219599_100000205941 [0,1,1,0,0,0|2,0,0]=4 3635 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2Cl 269982a_100000219376_100000205941 [0,1,1,0,0,0|2,0,0]=4 3636 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2Cl 34a_100000219376_100000205941 [0,1,1,0,0,0|2,0,0]=4 3637 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2Cl 7a_100000219376_100000205941 [0,1,1,0,0,0|2,0,0]=4 3638 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2F 269982a_100000220358_100000205941 [0,1,1,0,0,0|2,0,0]=4 3639 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2F 34a_100000220358_100000205941 [0,1,1,0,0,0|2,0,0]=4 3640 B18R2.32739 CC(C)N(Cc1cscn1)c2ccccc2F 7a_100000220358_100000205941 [0,1,1,0,0,0|2,0,0]=4 3641 B18R2.32739 Cc1ccccc1N(Cc2c[nH]cn2)C(C)C 2230a_100000219700_100000707719 [0,1,1,0,0,0|0,0,0]=2 3642 B18R2.32739 Cc1ccccc1N(Cc2c[nH]cn2)C(C)C 269982a_100000219700_100000707719 [0,1,1,0,0,0|0,0,0]=2 3643 B18R2.32739 Cc1ccccc1N(Cc2c[nH]cn2)C(C)C 34a_100000219700_100000707719 [0,1,1,0,0,0|0,0,0]=2 3644 B18R2.32739 Cc1ccccc1N(Cc2ccon2)C(C)C 2230a_100000219700_100000234950 [0,1,1,0,0,0|2,0,0]=4 3645 B18R2.32739 Cc1ccccc1N(Cc2ccon2)C(C)C 269982a_100000219700_100000234950 [0,1,1,0,0,0|2,0,0]=4 3646 B18R2.32739 Cc1ccccc1N(Cc2ccon2)C(C)C 34a_100000219700_100000234950 [0,1,1,0,0,0|2,0,0]=4 3647 B18R2.32739 Cc1ccccc1N(Cc2ccon2)C(C)C 7a_100000219700_100000234950 [0,1,1,0,0,0|2,0,0]=4 3648 B18R2.32739 Cc1ccccc1N(Cc2ccsc2)C(C)C 2230a_100000219700_100011261437 [0,1,1,0,0,0|2,0,0]=4 3649 B18R2.32739 Cc1ccccc1N(Cc2ccsc2)C(C)C 269982a_100000219700_100011233845 [0,1,1,0,0,0|2,0,0]=4 3650 B18R2.32739 Cc1ccccc1N(Cc2ccsc2)C(C)C 34a_100000219700_100011261437 [0,1,1,0,0,0|2,0,0]=4 3651 B18R2.32739 Cc1ccccc1N(Cc2ccsc2)C(C)C 7a_100000219700_100011261437 [0,1,1,0,0,0|2,0,0]=4 3652 B18R2.32739 Cc1ccccc1N(Cc2cncs2)C(C)C 2230a_100000219700_100015185245 [0,1,1,0,0,0|1,0,1]=4 3653 B18R2.32739 Cc1ccccc1N(Cc2cncs2)C(C)C 269982a_100000219700_100015185245 [0,1,1,0,0,0|1,0,1]=4 3654 B18R2.32739 Cc1ccccc1N(Cc2cncs2)C(C)C 34a_100000219700_100015185245 [0,1,1,0,0,0|1,0,1]=4 3655 B18R2.32739 Cc1ccccc1N(Cc2cncs2)C(C)C 7a_100000219700_100015185245 [0,1,1,0,0,0|1,0,1]=4 3656 B18R2.32739 Cc1ccccc1N(Cc2cscn2)C(C)C 2230a_100000219700_100000205941 [0,1,1,0,0,0|1,0,0]=3 3657 B18R2.32739 Cc1ccccc1N(Cc2cscn2)C(C)C 269982a_100000219700_100000205941 [0,1,1,0,0,0|1,0,0]=3 3658 B18R2.32739 Cc1ccccc1N(Cc2cscn2)C(C)C 34a_100000219700_100000205941 [0,1,1,0,0,0|1,0,0]=3 3659 B18R2.32739 Cc1ccccc1N(Cc2cscn2)C(C)C 7a_100000219700_100000205941 [0,1,1,0,0,0|1,0,0]=3 3660 B18R2.32739 Cc1ccccc1N(Cc2ncc[nH]2)C(C)C 2230a_100000219700_100016991755 [0,1,1,0,0,0|2,0,0]=4 3661 B18R2.32739 Cc1ccccc1N(Cc2ncc[nH]2)C(C)C 269982a_100000219700_100016991755 [0,1,1,0,0,0|2,0,0]=4 3662 B18R2.32739 Cc1ccccc1N(Cc2ncc[nH]2)C(C)C 34a_100000219700_100016991755 [0,1,1,0,0,0|2,0,0]=4 3663 B18R2.32739 Cc1ccccc1N(Cc2ncc[nH]2)C(C)C 7a_100000219700_100000753453 [0,1,1,0,0,0|2,0,0]=4 3664 B18R2.32739 Cc1ccccc1N(Cc2ncco2)C(C)C 2230a_100000219700_103436540062 [0,1,1,0,0,0|2,0,0]=4 3665 B18R2.32739 Cc1ccccc1N(Cc2ncco2)C(C)C 269982a_100000219700_103436540062 [0,1,1,0,0,0|2,0,0]=4 3666 B18R2.32739 Cc1ccccc1N(Cc2ncco2)C(C)C 34a_100000219700_103436540062 [0,1,1,0,0,0|2,0,0]=4 3667 B18R2.32739 Cc1ccccc1N(Cc2ncco2)C(C)C 7a_100000219700_103436540062 [0,1,1,0,0,0|2,0,0]=4 3668 B18R2.32739 Cc1ccccc1N(Cc2nccs2)C(C)C 2230a_100000219700_100015184050 [0,1,1,0,0,0|2,0,0]=4 3669 B18R2.32739 Cc1ccccc1N(Cc2nccs2)C(C)C 269982a_100000219700_100015184050 [0,1,1,0,0,0|2,0,0]=4 3670 B18R2.32739 Cc1ccccc1N(Cc2nccs2)C(C)C 34a_100000219700_100015184050 [0,1,1,0,0,0|2,0,0]=4 3671 B18R2.32739 Cc1ccccc1N(Cc2nccs2)C(C)C 7a_100000219700_100015184050 [0,1,1,0,0,0|2,0,0]=4 3672 B18R2.32739 Cc1ccccc1N(Cc2ncon2)C(C)C 269982a_100000219700_100000233494 [0,1,1,0,0,0|2,0,0]=4 3673 B18R2.32739 Cc1ccccc1N(Cc2ncon2)C(C)C 34a_100000219700_100000233494 [0,1,1,0,0,0|2,0,0]=4 3674 B18R2.32739 Cc1ccccc1N(Cn2cncn2)C(C)C 2230a_100000219700_200020645497 [0,1,1,0,0,0|1,0,1]=4 3675 B18R2.32739 Cc1ccccc1N(Cn2cncn2)C(C)C 269982a_100000219700_200020645497 [0,1,1,0,0,0|1,0,1]=4 3676 B18R2.32739 Cc1ccccc1N(Cn2cncn2)C(C)C 34a_100000219700_200020645497 [0,1,1,0,0,0|1,0,1]=4 3677 B18R2.32739 Cc1ccccc1N(Cn2cncn2)C(C)C 7a_100000219700_200020645497 [0,1,1,0,0,0|1,0,1]=4 3678 B18R2.78425 CCN(Cc1cc(cs1)Br)c2ccccc2C 2230a_100000211084_100000746031 [0,1,1,0,0,0|2,0,0]=4 3679 B18R2.78425 CCN(Cc1cc(cs1)Br)c2ccccc2C 269982a_100000211084_100000746031 [0,1,1,0,0,0|2,0,0]=4 3680 B18R2.78425 CCN(Cc1cc(cs1)Br)c2ccccc2C 34a_100000211084_100000746031 [0,1,1,0,0,0|2,0,0]=4 3681 B18R2.78425 CCN(Cc1cc(on1)C)c2ccccc2C 2230a_100000211084_100000199038 [0,1,1,0,0,0|2,0,0]=4 3682 B18R2.78425 CCN(Cc1cc(on1)C)c2ccccc2C 269982a_100000211084_100000199038 [0,1,1,0,0,0|2,0,0]=4 3683 B18R2.78425 CCN(Cc1cc(on1)C)c2ccccc2C 34a_100000211084_100000199038 [0,1,1,0,0,0|2,0,0]=4 3684 B18R2.78425 CCN(Cc1ccc(s1)Br)c2ccccc2C 2230a_100000211084_100000708592 [0,1,1,0,0,0|2,0,0]=4 3685 B18R2.78425 CCN(Cc1ccc(s1)Br)c2ccccc2C 269982a_100000211084_100000708592 [0,1,1,0,0,0|2,0,0]=4 3686 B18R2.78425 CCN(Cc1ccc(s1)Br)c2ccccc2C 34a_100000211084_100000708592 [0,1,1,0,0,0|2,0,0]=4 3687 B18R2.78425 CCN(Cc1ccc(s1)Cl)c2ccccc2C 2230a_100000211084_100000185097 [0,1,1,0,0,0|2,0,0]=4 3688 B18R2.78425 CCN(Cc1ccc(s1)Cl)c2ccccc2C 269982a_100000211084_100000185097 [0,1,1,0,0,0|2,0,0]=4 3689 B18R2.78425 CCN(Cc1ccc(s1)Cl)c2ccccc2C 34a_100000211084_100000185097 [0,1,1,0,0,0|2,0,0]=4 3690 B18R2.78425 CCN(Cc1ccn(n1)C)c2ccccc2C 2230a_100000211084_100000726502 [0,1,1,0,0,0|2,0,0]=4 3691 B18R2.78425 CCN(Cc1ccn(n1)C)c2ccccc2C 269982a_100000211084_100000726502 [0,1,1,0,0,0|2,0,0]=4 3692 B18R2.78425 CCN(Cc1ccn(n1)C)c2ccccc2C 34a_100000211084_100000726502 [0,1,1,0,0,0|2,0,0]=4 3693 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2Br 2230a_114873767003_100000717665 [0,1,1,0,0,0|1,0,0]=3 3694 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2Br 269982a_114873767003_100000717665 [0,1,1,0,0,0|1,0,0]=3 3695 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2Br 34a_114873767003_100000717665 [0,1,1,0,0,0|1,0,0]=3 3696 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2C 2230a_100000211084_100000717665 [0,1,1,0,0,0|0,0,0]=2 3697 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2C 269982a_100000211084_100000717665 [0,1,1,0,0,0|0,0,0]=2 3698 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2C 34a_100000211084_100000717665 [0,1,1,0,0,0|0,0,0]=2 3699 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2F 2230a_100000220365_100000717665 [0,1,1,0,0,0|1,0,0]=3 3700 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2F 269982a_100000220365_100000717665 [0,1,1,0,0,0|1,0,0]=3 3701 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2F 34a_100000220365_100000717665 [0,1,1,0,0,0|1,0,0]=3 3702 B18R2.78425 CCN(Cc1cn(cn1)C)c2ccccc2O 269982a_103624766699_100000717665 [0,1,1,0,0,0|1,0,0]=3 3703 B18R2.78425 CCN(Cc1cnc(s1)Br)c2ccccc2C 2230a_100000211084_100000717027 [0,1,1,0,0,0|1,0,1]=4 3704 B18R2.78425 CCN(Cc1cnc(s1)Br)c2ccccc2C 269982a_100000211084_100000717027 [0,1,1,0,0,0|1,0,1]=4 3705 B18R2.78425 CCN(Cc1cnc(s1)Br)c2ccccc2C 34a_100000211084_100000717027 [0,1,1,0,0,0|1,0,1]=4 3706 B18R2.78425 CCN(Cc1cnc(s1)C)c2ccccc2C 2230a_100000211084_100020635045 [0,1,1,0,0,0|1,0,1]=4 3707 B18R2.78425 CCN(Cc1cnc(s1)C)c2ccccc2C 269982a_100000211084_100020635045 [0,1,1,0,0,0|1,0,1]=4 3708 B18R2.78425 CCN(Cc1cnc(s1)C)c2ccccc2C 34a_100000211084_100020635045 [0,1,1,0,0,0|1,0,1]=4 3709 B18R2.78425 CCN(Cc1cnc(s1)Cl)c2ccccc2C 2230a_100000211084_100000058068 [0,1,1,0,0,0|1,0,1]=4 3710 B18R2.78425 CCN(Cc1cnc(s1)Cl)c2ccccc2C 269982a_100000211084_100000058068 [0,1,1,0,0,0|1,0,1]=4 3711 B18R2.78425 CCN(Cc1cnc(s1)Cl)c2ccccc2C 34a_100000211084_100000058068 [0,1,1,0,0,0|1,0,1]=4 3712 B18R2.78425 CCN(Cc1cnn(c1)C)c2ccccc2C 2230a_100000211084_100000744441 [0,1,1,0,0,0|2,0,0]=4 3713 B18R2.78425 CCN(Cc1cnn(c1)C)c2ccccc2C 269982a_100000211084_100000744441 [0,1,1,0,0,0|2,0,0]=4 3714 B18R2.78425 CCN(Cc1cnn(c1)C)c2ccccc2C 34a_100000211084_100000744441 [0,1,1,0,0,0|2,0,0]=4 3715 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2Br 2230a_114873767003_100015186478 [0,1,1,0,0,0|2,0,0]=4 3716 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2Br 269982a_114873767003_100015186478 [0,1,1,0,0,0|2,0,0]=4 3717 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2Br 34a_114873767003_100015186478 [0,1,1,0,0,0|2,0,0]=4 3718 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2C 2230a_100000211084_100015186478 [0,1,1,0,0,0|1,0,0]=3 3719 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2C 269982a_100000211084_100015186478 [0,1,1,0,0,0|1,0,0]=3 3720 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2C 34a_100000211084_100015186478 [0,1,1,0,0,0|1,0,0]=3 3721 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2F 2230a_100000220365_100015186478 [0,1,1,0,0,0|2,0,0]=4 3722 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2F 269982a_100000220365_100015186478 [0,1,1,0,0,0|2,0,0]=4 3723 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2F 34a_100000220365_100015186478 [0,1,1,0,0,0|2,0,0]=4 3724 B18R2.78425 CCN(Cc1csc(n1)C)c2ccccc2O 269982a_103624766699_100015186478 [0,1,1,0,0,0|2,0,0]=4 3725 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2Br 2230a_114873767003_100000024076 [0,1,1,0,0,0|2,0,0]=4 3726 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2Br 269982a_114873767003_100000024076 [0,1,1,0,0,0|2,0,0]=4 3727 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2Br 34a_114873767003_100000024076 [0,1,1,0,0,0|2,0,0]=4 3728 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2C 2230a_100000211084_100000024076 [0,1,1,0,0,0|1,0,0]=3 3729 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2C 269982a_100000211084_100000024076 [0,1,1,0,0,0|1,0,0]=3 3730 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2C 34a_100000211084_100000024076 [0,1,1,0,0,0|1,0,0]=3 3731 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2F 2230a_100000220365_100000024076 [0,1,1,0,0,0|2,0,0]=4 3732 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2F 269982a_100000220365_100000024076 [0,1,1,0,0,0|2,0,0]=4 3733 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2F 34a_100000220365_100000024076 [0,1,1,0,0,0|2,0,0]=4 3734 B18R2.78425 CCN(Cc1csc(n1)Cl)c2ccccc2O 269982a_103624766699_100000024076 [0,1,1,0,0,0|2,0,0]=4 3735 B18R2.78425 CCN(Cc1n[nH]c(=O)[nH]1)c2ccccc2C 2230a_100000211084_100000754189 [0,1,1,0,0,0|1,0,1]=4 3736 B18R2.78425 CCN(Cc1n[nH]c(=O)[nH]1)c2ccccc2C 269982a_100000211084_100000754189 [0,1,1,0,0,0|1,0,1]=4 3737 B18R2.78425 CCN(Cc1nc(no1)C)c2ccccc2C 2230a_100000211084_100000735555 [0,1,1,0,0,0|1,0,1]=4 3738 B18R2.78425 CCN(Cc1nc(no1)C)c2ccccc2C 269982a_100000211084_100000735555 [0,1,1,0,0,0|1,0,1]=4 3739 B18R2.78425 CCN(Cc1nc(no1)C)c2ccccc2C 34a_100000211084_100000735555 [0,1,1,0,0,0|1,0,1]=4 3740 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2Br 2230a_114873767003_100016995526 [0,1,1,0,0,0|2,0,0]=4 3741 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2Br 269982a_114873767003_100016995526 [0,1,1,0,0,0|2,0,0]=4 3742 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2Br 34a_114873767003_100016995526 [0,1,1,0,0,0|2,0,0]=4 3743 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2C 2230a_100000211084_100016995526 [0,1,1,0,0,0|1,0,0]=3 3744 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2C 269982a_100000211084_100016995526 [0,1,1,0,0,0|1,0,0]=3 3745 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2C 34a_100000211084_100016995526 [0,1,1,0,0,0|1,0,0]=3 3746 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2F 2230a_100000220365_100016995526 [0,1,1,0,0,0|2,0,0]=4 3747 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2F 269982a_100000220365_100016995526 [0,1,1,0,0,0|2,0,0]=4 3748 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2F 34a_100000220365_100016995526 [0,1,1,0,0,0|2,0,0]=4 3749 B18R2.78425 CCN(Cc1ncn(n1)C)c2ccccc2O 269982a_103624766699_100016995526 [0,1,1,0,0,0|2,0,0]=4 3750 B18R2.78425 CCN(Cc1noc(n1)C)c2ccccc2C 2230a_100000211084_100000231061 [0,1,1,0,0,0|2,0,0]=4 3751 B18R2.78425 CCN(Cc1noc(n1)C)c2ccccc2C 269982a_100000211084_100000231061 [0,1,1,0,0,0|2,0,0]=4 3752 B18R2.78425 CCN(Cc1noc(n1)C)c2ccccc2C 34a_100000211084_100000231061 [0,1,1,0,0,0|2,0,0]=4 3753 B18R2.78425 CCN(Cc1nsc(n1)Cl)c2ccccc2C 2230a_100000211084_100000043760 [0,1,1,0,0,0|2,0,0]=4 3754 B18R2.78425 CCN(Cc1nsc(n1)Cl)c2ccccc2C 269982a_100000211084_100000043760 [0,1,1,0,0,0|2,0,0]=4 3755 B18R2.78425 CCN(Cc1nsc(n1)Cl)c2ccccc2C 34a_100000211084_100000043760 [0,1,1,0,0,0|2,0,0]=4 3756 B18R2.78644 CCN(Cc1c[nH]cn1)c2ccc(cc2C)F 2230a_100000221679_100000707719 [0,1,1,0,0,0|0,0,0]=2 3757 B18R2.78644 CCN(Cc1c[nH]cn1)c2ccc(cc2C)F 269982a_100000221679_100000707719 [0,1,1,0,0,0|0,0,0]=2 3758 B18R2.78644 CCN(Cc1c[nH]cn1)c2ccc(cc2C)F 34a_100000221679_100000707719 [0,1,1,0,0,0|0,0,0]=2 3759 B18R2.78644 CCN(Cc1c[nH]cn1)c2ccc(cc2Cl)Cl 269982a_100160557746_100000707719 [0,1,1,0,0,0|1,0,0]=3 3760 B18R2.78644 CCN(Cc1c[nH]cn1)c2ccc(cc2Cl)Cl 34a_100160557746_100000707719 [0,1,1,0,0,0|1,0,0]=3 3761 B18R2.78644 CCN(Cc1ccco1)c2ccc(cc2C)F 2230a_100011231892_100000210202 [0,1,1,0,0,0|2,0,0]=4 3762 B18R2.78644 CCN(Cc1ccco1)c2ccc(cc2C)F 269982a_100011231892_100000204670 [0,1,1,0,0,0|2,0,0]=4 3763 B18R2.78644 CCN(Cc1ccco1)c2ccc(cc2C)F 34a_100011231892_100000210202 [0,1,1,0,0,0|2,0,0]=4 3764 B18R2.78644 CCN(Cc1ccon1)c2ccc(cc2C)F 2230a_100000221679_100000234950 [0,1,1,0,0,0|2,0,0]=4 3765 B18R2.78644 CCN(Cc1ccon1)c2ccc(cc2C)F 269982a_100000221679_100000234950 [0,1,1,0,0,0|2,0,0]=4 3766 B18R2.78644 CCN(Cc1ccon1)c2ccc(cc2C)F 34a_100000221679_100000234950 [0,1,1,0,0,0|2,0,0]=4 3767 B18R2.78644 CCN(Cc1ccon1)c2ccc(cc2C)F 7a_100000221679_100000234950 [0,1,1,0,0,0|2,0,0]=4 3768 B18R2.78644 CCN(Cc1ccsc1)c2ccc(cc2C)F 2230a_100000221679_100011261437 [0,1,1,0,0,0|2,0,0]=4 3769 B18R2.78644 CCN(Cc1ccsc1)c2ccc(cc2C)F 269982a_100000221679_100011233845 [0,1,1,0,0,0|2,0,0]=4 3770 B18R2.78644 CCN(Cc1ccsc1)c2ccc(cc2C)F 34a_100000221679_100011261437 [0,1,1,0,0,0|2,0,0]=4 3771 B18R2.78644 CCN(Cc1ccsc1)c2ccc(cc2C)F 7a_100000221679_100011261437 [0,1,1,0,0,0|2,0,0]=4 3772 B18R2.78644 CCN(Cc1cncs1)c2ccc(cc2C)F 2230a_100000221679_100015185245 [0,1,1,0,0,0|1,0,1]=4 3773 B18R2.78644 CCN(Cc1cncs1)c2ccc(cc2C)F 269982a_100000221679_100015185245 [0,1,1,0,0,0|1,0,1]=4 3774 B18R2.78644 CCN(Cc1cncs1)c2ccc(cc2C)F 34a_100000221679_100015185245 [0,1,1,0,0,0|1,0,1]=4 3775 B18R2.78644 CCN(Cc1cncs1)c2ccc(cc2C)F 7a_100000221679_100015185245 [0,1,1,0,0,0|1,0,1]=4 3776 B18R2.78644 CCN(Cc1cscn1)c2ccc(cc2C)F 2230a_100000221679_100000205941 [0,1,1,0,0,0|1,0,0]=3 3777 B18R2.78644 CCN(Cc1cscn1)c2ccc(cc2C)F 269982a_100000221679_100000205941 [0,1,1,0,0,0|1,0,0]=3 3778 B18R2.78644 CCN(Cc1cscn1)c2ccc(cc2C)F 34a_100000221679_100000205941 [0,1,1,0,0,0|1,0,0]=3 3779 B18R2.78644 CCN(Cc1cscn1)c2ccc(cc2C)F 7a_100000221679_100000205941 [0,1,1,0,0,0|1,0,0]=3 3780 B18R2.78644 CCN(Cc1cscn1)c2ccc(cc2Cl)Cl 269982a_100160557746_100000205941 [0,1,1,0,0,0|2,0,0]=4 3781 B18R2.78644 CCN(Cc1cscn1)c2ccc(cc2Cl)Cl 34a_100160557746_100000205941 [0,1,1,0,0,0|2,0,0]=4 3782 B18R2.78644 CCN(Cc1ncc[nH]1)c2ccc(cc2C)F 2230a_100000221679_100016991755 [0,1,1,0,0,0|2,0,0]=4 3783 B18R2.78644 CCN(Cc1ncc[nH]1)c2ccc(cc2C)F 269982a_100000221679_100016991755 [0,1,1,0,0,0|2,0,0]=4 3784 B18R2.78644 CCN(Cc1ncc[nH]1)c2ccc(cc2C)F 34a_100000221679_100016991755 [0,1,1,0,0,0|2,0,0]=4 3785 B18R2.78644 CCN(Cc1ncc[nH]1)c2ccc(cc2C)F 7a_100000221679_100000753453 [0,1,1,0,0,0|2,0,0]=4 3786 B18R2.78644 CCN(Cc1ncco1)c2ccc(cc2C)F 2230a_100000221679_103436540062 [0,1,1,0,0,0|2,0,0]=4 3787 B18R2.78644 CCN(Cc1ncco1)c2ccc(cc2C)F 269982a_100000221679_103436540062 [0,1,1,0,0,0|2,0,0]=4 3788 B18R2.78644 CCN(Cc1ncco1)c2ccc(cc2C)F 34a_100000221679_103436540062 [0,1,1,0,0,0|2,0,0]=4 3789 B18R2.78644 CCN(Cc1ncco1)c2ccc(cc2C)F 7a_100000221679_103436540062 [0,1,1,0,0,0|2,0,0]=4 3790 B18R2.78644 CCN(Cc1nccs1)c2ccc(cc2C)F 2230a_100000221679_100015184050 [0,1,1,0,0,0|2,0,0]=4 3791 B18R2.78644 CCN(Cc1nccs1)c2ccc(cc2C)F 269982a_100000221679_100015184050 [0,1,1,0,0,0|2,0,0]=4 3792 B18R2.78644 CCN(Cc1nccs1)c2ccc(cc2C)F 34a_100000221679_100015184050 [0,1,1,0,0,0|2,0,0]=4 3793 B18R2.78644 CCN(Cc1nccs1)c2ccc(cc2C)F 7a_100000221679_100015184050 [0,1,1,0,0,0|2,0,0]=4 3794 B18R2.78644 CCN(Cc1ncon1)c2ccc(cc2C)F 269982a_100000221679_100000233494 [0,1,1,0,0,0|2,0,0]=4 3795 B18R2.78644 CCN(Cc1ncon1)c2ccc(cc2C)F 34a_100000221679_100000233494 [0,1,1,0,0,0|2,0,0]=4 3796 B18R2.78644 CCN(Cn1cncn1)c2ccc(cc2C)F 2230a_100000221679_200020645497 [0,1,1,0,0,0|1,0,1]=4 3797 B18R2.78644 CCN(Cn1cncn1)c2ccc(cc2C)F 269982a_100000221679_200020645497 [0,1,1,0,0,0|1,0,1]=4 3798 B18R2.78644 CCN(Cn1cncn1)c2ccc(cc2C)F 34a_100000221679_200020645497 [0,1,1,0,0,0|1,0,1]=4 3799 B18R2.78644 CCN(Cn1cncn1)c2ccc(cc2C)F 7a_100000221679_200020645497 [0,1,1,0,0,0|1,0,1]=4 3800 B18R2.78646 CCN(Cc1c[nH]cn1)c2cc(ccc2C)C 2230a_100000743043_100000707719 [0,1,1,0,0,0|0,0,0]=2 3801 B18R2.78646 CCN(Cc1c[nH]cn1)c2cc(ccc2C)C 269982a_100000743043_100000707719 [0,1,1,0,0,0|0,0,0]=2 3802 B18R2.78646 CCN(Cc1c[nH]cn1)c2cc(ccc2C)C 34a_100000743043_100000707719 [0,1,1,0,0,0|0,0,0]=2 3803 B18R2.78646 CCN(Cc1c[nH]cn1)c2cc(ccc2C)O 269982a_100000211784_100000707719 [0,1,1,0,0,0|0,0,0]=2 3804 B18R2.78646 CCN(Cc1c[nH]cn1)c2cc(ccc2C)O 34a_100000211784_100000707719 [0,1,1,0,0,0|0,0,0]=2 3805 B18R2.78646 CCN(Cc1ccon1)c2cc(ccc2C)C 2230a_100000743043_100000234950 [0,1,1,0,0,0|2,0,0]=4 3806 B18R2.78646 CCN(Cc1ccon1)c2cc(ccc2C)C 269982a_100000743043_100000234950 [0,1,1,0,0,0|2,0,0]=4 3807 B18R2.78646 CCN(Cc1ccon1)c2cc(ccc2C)C 34a_100000743043_100000234950 [0,1,1,0,0,0|2,0,0]=4 3808 B18R2.78646 CCN(Cc1ccon1)c2cc(ccc2C)C 7a_100000743043_100000234950 [0,1,1,0,0,0|2,0,0]=4 3809 B18R2.78646 CCN(Cc1ccon1)c2cc(ccc2C)O 269982a_100000211784_100000234950 [0,1,1,0,0,0|2,0,0]=4 3810 B18R2.78646 CCN(Cc1ccon1)c2cc(ccc2C)O 34a_100000211784_100000234950 [0,1,1,0,0,0|2,0,0]=4 3811 B18R2.78646 CCN(Cc1ccsc1)c2cc(ccc2C)C 2230a_100000743043_100011261437 [0,1,1,0,0,0|2,0,0]=4 3812 B18R2.78646 CCN(Cc1ccsc1)c2cc(ccc2C)C 269982a_100000743043_100011233845 [0,1,1,0,0,0|2,0,0]=4 3813 B18R2.78646 CCN(Cc1ccsc1)c2cc(ccc2C)C 34a_100000743043_100011261437 [0,1,1,0,0,0|2,0,0]=4 3814 B18R2.78646 CCN(Cc1ccsc1)c2cc(ccc2C)C 7a_100000743043_100011261437 [0,1,1,0,0,0|2,0,0]=4 3815 B18R2.78646 CCN(Cc1ccsc1)c2cc(ccc2C)O 269982a_100000211784_100011233845 [0,1,1,0,0,0|2,0,0]=4 3816 B18R2.78646 CCN(Cc1ccsc1)c2cc(ccc2C)O 34a_100000211784_100011261437 [0,1,1,0,0,0|2,0,0]=4 3817 B18R2.78646 CCN(Cc1cncs1)c2cc(ccc2C)C 2230a_100000743043_100015185245 [0,1,1,0,0,0|1,0,1]=4 3818 B18R2.78646 CCN(Cc1cncs1)c2cc(ccc2C)C 269982a_100000743043_100015185245 [0,1,1,0,0,0|1,0,1]=4 3819 B18R2.78646 CCN(Cc1cncs1)c2cc(ccc2C)C 34a_100000743043_100015185245 [0,1,1,0,0,0|1,0,1]=4 3820 B18R2.78646 CCN(Cc1cncs1)c2cc(ccc2C)C 7a_100000743043_100015185245 [0,1,1,0,0,0|1,0,1]=4 3821 B18R2.78646 CCN(Cc1cncs1)c2cc(ccc2C)O 269982a_100000211784_100015185245 [0,1,1,0,0,0|1,0,1]=4 3822 B18R2.78646 CCN(Cc1cncs1)c2cc(ccc2C)O 34a_100000211784_100015185245 [0,1,1,0,0,0|1,0,1]=4 3823 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)C 2230a_100000743043_100000205941 [0,1,1,0,0,0|1,0,0]=3 3824 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)C 269982a_100000743043_100000205941 [0,1,1,0,0,0|1,0,0]=3 3825 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)C 34a_100000743043_100000205941 [0,1,1,0,0,0|1,0,0]=3 3826 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)C 7a_100000743043_100000205941 [0,1,1,0,0,0|1,0,0]=3 3827 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)O 269982a_100000211784_100000205941 [0,1,1,0,0,0|1,0,0]=3 3828 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)O 34a_100000211784_100000205941 [0,1,1,0,0,0|1,0,0]=3 3829 B18R2.78646 CCN(Cc1ncc[nH]1)c2cc(ccc2C)C 2230a_100000743043_100016991755 [0,1,1,0,0,0|2,0,0]=4 3830 B18R2.78646 CCN(Cc1ncc[nH]1)c2cc(ccc2C)C 269982a_100000743043_100016991755 [0,1,1,0,0,0|2,0,0]=4 3831 B18R2.78646 CCN(Cc1ncc[nH]1)c2cc(ccc2C)C 34a_100000743043_100016991755 [0,1,1,0,0,0|2,0,0]=4 3832 B18R2.78646 CCN(Cc1ncc[nH]1)c2cc(ccc2C)C 7a_100000743043_100000753453 [0,1,1,0,0,0|2,0,0]=4 3833 B18R2.78646 CCN(Cc1ncc[nH]1)c2cc(ccc2C)O 269982a_100000211784_100016991755 [0,1,1,0,0,0|2,0,0]=4 3834 B18R2.78646 CCN(Cc1ncc[nH]1)c2cc(ccc2C)O 34a_100000211784_100016991755 [0,1,1,0,0,0|2,0,0]=4 3835 B18R2.78646 CCN(Cc1ncco1)c2cc(ccc2C)C 2230a_100000743043_103436540062 [0,1,1,0,0,0|2,0,0]=4 3836 B18R2.78646 CCN(Cc1ncco1)c2cc(ccc2C)C 269982a_100000743043_103436540062 [0,1,1,0,0,0|2,0,0]=4 3837 B18R2.78646 CCN(Cc1ncco1)c2cc(ccc2C)C 34a_100000743043_103436540062 [0,1,1,0,0,0|2,0,0]=4 3838 B18R2.78646 CCN(Cc1ncco1)c2cc(ccc2C)C 7a_100000743043_103436540062 [0,1,1,0,0,0|2,0,0]=4 3839 B18R2.78646 CCN(Cc1ncco1)c2cc(ccc2C)O 269982a_100000211784_103436540062 [0,1,1,0,0,0|2,0,0]=4 3840 B18R2.78646 CCN(Cc1ncco1)c2cc(ccc2C)O 34a_100000211784_103436540062 [0,1,1,0,0,0|2,0,0]=4 3841 B18R2.78646 CCN(Cc1nccs1)c2cc(ccc2C)C 2230a_100000743043_100015184050 [0,1,1,0,0,0|2,0,0]=4 3842 B18R2.78646 CCN(Cc1nccs1)c2cc(ccc2C)C 269982a_100000743043_100015184050 [0,1,1,0,0,0|2,0,0]=4 3843 B18R2.78646 CCN(Cc1nccs1)c2cc(ccc2C)C 34a_100000743043_100015184050 [0,1,1,0,0,0|2,0,0]=4 3844 B18R2.78646 CCN(Cc1nccs1)c2cc(ccc2C)C 7a_100000743043_100015184050 [0,1,1,0,0,0|2,0,0]=4 3845 B18R2.78646 CCN(Cc1nccs1)c2cc(ccc2C)O 269982a_100000211784_100015184050 [0,1,1,0,0,0|2,0,0]=4 3846 B18R2.78646 CCN(Cc1nccs1)c2cc(ccc2C)O 34a_100000211784_100015184050 [0,1,1,0,0,0|2,0,0]=4 3847 B18R2.78646 CCN(Cc1ncon1)c2cc(ccc2C)C 269982a_100000743043_100000233494 [0,1,1,0,0,0|2,0,0]=4 3848 B18R2.78646 CCN(Cc1ncon1)c2cc(ccc2C)C 34a_100000743043_100000233494 [0,1,1,0,0,0|2,0,0]=4 3849 B18R2.78646 CCN(Cc1ncon1)c2cc(ccc2C)O 269982a_100000211784_100000233494 [0,1,1,0,0,0|2,0,0]=4 3850 B18R2.78646 CCN(Cc1ncon1)c2cc(ccc2C)O 34a_100000211784_100000233494 [0,1,1,0,0,0|2,0,0]=4 3851 B18R2.78646 CCN(Cn1cncn1)c2cc(ccc2C)C 2230a_100000743043_200020645497 [0,1,1,0,0,0|1,0,1]=4 3852 B18R2.78646 CCN(Cn1cncn1)c2cc(ccc2C)C 269982a_100000743043_200020645497 [0,1,1,0,0,0|1,0,1]=4 3853 B18R2.78646 CCN(Cn1cncn1)c2cc(ccc2C)C 34a_100000743043_200020645497 [0,1,1,0,0,0|1,0,1]=4 3854 B18R2.78646 CCN(Cn1cncn1)c2cc(ccc2C)C 7a_100000743043_200020645497 [0,1,1,0,0,0|1,0,1]=4 3855 B18R2.78646 CCN(Cn1cncn1)c2cc(ccc2C)O 269982a_100000211784_200020645497 [0,1,1,0,0,0|1,0,1]=4 3856 B18R2.78646 CCN(Cn1cncn1)c2cc(ccc2C)O 34a_100000211784_200020645497 [0,1,1,0,0,0|1,0,1]=4 3857 B18R2.78656 CCN(Cc1c[nH]cn1)c2cccc(c2C)C 2230a_100000219776_100000707719 [0,1,1,0,0,0|0,0,0]=2 3858 B18R2.78656 CCN(Cc1c[nH]cn1)c2cccc(c2C)C 269982a_100000219776_100000707719 [0,1,1,0,0,0|0,0,0]=2 3859 B18R2.78656 CCN(Cc1c[nH]cn1)c2cccc(c2C)C 34a_100000219776_100000707719 [0,1,1,0,0,0|0,0,0]=2 3860 B18R2.78656 CCN(Cc1ccon1)c2cccc(c2C)C 2230a_100000219776_100000234950 [0,1,1,0,0,0|2,0,0]=4 3861 B18R2.78656 CCN(Cc1ccon1)c2cccc(c2C)C 269982a_100000219776_100000234950 [0,1,1,0,0,0|2,0,0]=4 3862 B18R2.78656 CCN(Cc1ccon1)c2cccc(c2C)C 34a_100000219776_100000234950 [0,1,1,0,0,0|2,0,0]=4 3863 B18R2.78656 CCN(Cc1ccon1)c2cccc(c2C)C 7a_100000219776_100000234950 [0,1,1,0,0,0|2,0,0]=4 3864 B18R2.78656 CCN(Cc1ccsc1)c2cccc(c2C)C 2230a_100000219776_100011261437 [0,1,1,0,0,0|2,0,0]=4 3865 B18R2.78656 CCN(Cc1ccsc1)c2cccc(c2C)C 269982a_100000219776_100011233845 [0,1,1,0,0,0|2,0,0]=4 3866 B18R2.78656 CCN(Cc1ccsc1)c2cccc(c2C)C 34a_100000219776_100011261437 [0,1,1,0,0,0|2,0,0]=4 3867 B18R2.78656 CCN(Cc1ccsc1)c2cccc(c2C)C 7a_100000219776_100011261437 [0,1,1,0,0,0|2,0,0]=4 3868 B18R2.78656 CCN(Cc1cncs1)c2cccc(c2C)C 2230a_100000219776_100015185245 [0,1,1,0,0,0|1,0,1]=4 3869 B18R2.78656 CCN(Cc1cncs1)c2cccc(c2C)C 269982a_100000219776_100015185245 [0,1,1,0,0,0|1,0,1]=4 3870 B18R2.78656 CCN(Cc1cncs1)c2cccc(c2C)C 34a_100000219776_100015185245 [0,1,1,0,0,0|1,0,1]=4 3871 B18R2.78656 CCN(Cc1cncs1)c2cccc(c2C)C 7a_100000219776_100015185245 [0,1,1,0,0,0|1,0,1]=4 3872 B18R2.78656 CCN(Cc1cscn1)c2cccc(c2C)C 2230a_100000219776_100000205941 [0,1,1,0,0,0|1,0,0]=3 3873 B18R2.78656 CCN(Cc1cscn1)c2cccc(c2C)C 269982a_100000219776_100000205941 [0,1,1,0,0,0|1,0,0]=3 3874 B18R2.78656 CCN(Cc1cscn1)c2cccc(c2C)C 34a_100000219776_100000205941 [0,1,1,0,0,0|1,0,0]=3 3875 B18R2.78656 CCN(Cc1cscn1)c2cccc(c2C)C 7a_100000219776_100000205941 [0,1,1,0,0,0|1,0,0]=3 3876 B18R2.78656 CCN(Cc1ncc[nH]1)c2cccc(c2C)C 2230a_100000219776_100016991755 [0,1,1,0,0,0|2,0,0]=4 3877 B18R2.78656 CCN(Cc1ncc[nH]1)c2cccc(c2C)C 269982a_100000219776_100016991755 [0,1,1,0,0,0|2,0,0]=4 3878 B18R2.78656 CCN(Cc1ncc[nH]1)c2cccc(c2C)C 34a_100000219776_100016991755 [0,1,1,0,0,0|2,0,0]=4 3879 B18R2.78656 CCN(Cc1ncc[nH]1)c2cccc(c2C)C 7a_100000219776_100000753453 [0,1,1,0,0,0|2,0,0]=4 3880 B18R2.78656 CCN(Cc1ncco1)c2cccc(c2C)C 2230a_100000219776_103436540062 [0,1,1,0,0,0|2,0,0]=4 3881 B18R2.78656 CCN(Cc1ncco1)c2cccc(c2C)C 269982a_100000219776_103436540062 [0,1,1,0,0,0|2,0,0]=4 3882 B18R2.78656 CCN(Cc1ncco1)c2cccc(c2C)C 34a_100000219776_103436540062 [0,1,1,0,0,0|2,0,0]=4 3883 B18R2.78656 CCN(Cc1ncco1)c2cccc(c2C)C 7a_100000219776_103436540062 [0,1,1,0,0,0|2,0,0]=4 3884 B18R2.78656 CCN(Cc1nccs1)c2cccc(c2C)C 2230a_100000219776_100015184050 [0,1,1,0,0,0|2,0,0]=4 3885 B18R2.78656 CCN(Cc1nccs1)c2cccc(c2C)C 269982a_100000219776_100015184050 [0,1,1,0,0,0|2,0,0]=4 3886 B18R2.78656 CCN(Cc1nccs1)c2cccc(c2C)C 34a_100000219776_100015184050 [0,1,1,0,0,0|2,0,0]=4 3887 B18R2.78656 CCN(Cc1nccs1)c2cccc(c2C)C 7a_100000219776_100015184050 [0,1,1,0,0,0|2,0,0]=4 3888 B18R2.78656 CCN(Cc1ncon1)c2cccc(c2C)C 269982a_100000219776_100000233494 [0,1,1,0,0,0|2,0,0]=4 3889 B18R2.78656 CCN(Cc1ncon1)c2cccc(c2C)C 34a_100000219776_100000233494 [0,1,1,0,0,0|2,0,0]=4 3890 B18R2.78656 CCN(Cn1cncn1)c2cccc(c2C)C 2230a_100000219776_200020645497 [0,1,1,0,0,0|1,0,1]=4 3891 B18R2.78656 CCN(Cn1cncn1)c2cccc(c2C)C 269982a_100000219776_200020645497 [0,1,1,0,0,0|1,0,1]=4 3892 B18R2.78656 CCN(Cn1cncn1)c2cccc(c2C)C 34a_100000219776_200020645497 [0,1,1,0,0,0|1,0,1]=4 3893 B18R2.78656 CCN(Cn1cncn1)c2cccc(c2C)C 7a_100000219776_200020645497 [0,1,1,0,0,0|1,0,1]=4 3894 B18R2.78948 CCN(Cc1ccsc1Br)c2ccccc2C 2230a_100000211084_100009814289 [0,1,1,0,0,0|2,0,0]=4 3895 B18R2.78948 CCN(Cc1ccsc1Br)c2ccccc2C 269982a_100000211084_100009814289 [0,1,1,0,0,0|2,0,0]=4 3896 B18R2.78948 CCN(Cc1ccsc1Br)c2ccccc2C 34a_100000211084_100009814289 [0,1,1,0,0,0|2,0,0]=4 3897 B18R2.78948 CCN(Cc1ccsc1Cl)c2ccccc2C 2230a_100000211084_100010167017 [0,1,1,0,0,0|2,0,0]=4 3898 B18R2.78948 CCN(Cc1ccsc1Cl)c2ccccc2C 269982a_100000211084_100010167017 [0,1,1,0,0,0|2,0,0]=4 3899 B18R2.78948 CCN(Cc1ccsc1Cl)c2ccccc2C 34a_100000211084_100010167017 [0,1,1,0,0,0|2,0,0]=4 3900 B18R2.78948 CCN(Cc1nc[nH]c1C)c2ccccc2Br 2230a_114873767003_100000751220 [0,1,1,0,0,0|1,0,0]=3 3901 B18R2.78948 CCN(Cc1nc[nH]c1C)c2ccccc2Br 269982a_114873767003_100000751220 [0,1,1,0,0,0|1,0,0]=3 3902 B18R2.78948 CCN(Cc1nc[nH]c1C)c2ccccc2C 2230a_100000211084_100000751220 [0,1,1,0,0,0|0,0,0]=2 3903 B18R2.78948 CCN(Cc1nc[nH]c1C)c2ccccc2C 269982a_100000211084_100000751220 [0,1,1,0,0,0|0,0,0]=2 3904 B18R2.78948 CCN(Cc1nc[nH]c1C)c2ccccc2F 2230a_100000220365_100000751220 [0,1,1,0,0,0|1,0,0]=3 3905 B18R2.78948 CCN(Cc1nc[nH]c1C)c2ccccc2F 269982a_100000220365_100000751220 [0,1,1,0,0,0|1,0,0]=3 3906 B18R2.78948 CCN(Cc1nc[nH]c1C)c2ccccc2O 269982a_103624766699_100000751220 [0,1,1,0,0,0|1,0,0]=3 3907 B18R2.78948 CCN(Cc1nccn1C)c2ccccc2C 2230a_100000211084_100000700302 [0,1,1,0,0,0|2,0,0]=4 3908 B18R2.78948 CCN(Cc1nccn1C)c2ccccc2C 269982a_100000211084_100000700302 [0,1,1,0,0,0|2,0,0]=4 3909 B18R2.78948 CCN(Cc1nccn1C)c2ccccc2C 34a_100000211084_100000700302 [0,1,1,0,0,0|2,0,0]=4 3910 B18R2.78948 CCN(Cc1ncoc1C)c2ccccc2Br 2230a_114873767003_200000693990 [0,1,1,0,0,0|2,0,0]=4 3911 B18R2.78948 CCN(Cc1ncoc1C)c2ccccc2Br 34a_114873767003_200000693990 [0,1,1,0,0,0|2,0,0]=4 3912 B18R2.78948 CCN(Cc1ncoc1C)c2ccccc2C 2230a_100000211084_200000693990 [0,1,1,0,0,0|1,0,0]=3 3913 B18R2.78948 CCN(Cc1ncoc1C)c2ccccc2C 34a_100000211084_200000693990 [0,1,1,0,0,0|1,0,0]=3 3914 B18R2.78948 CCN(Cc1ncoc1C)c2ccccc2F 2230a_100000220365_200000693990 [0,1,1,0,0,0|2,0,0]=4 3915 B18R2.78948 CCN(Cc1ncoc1C)c2ccccc2F 34a_100000220365_200000693990 [0,1,1,0,0,0|2,0,0]=4 3916 B18R2.78948 CCN(Cc1nnsc1Cl)c2ccccc2C 2230a_100000211084_100000018852 [0,1,1,0,0,0|2,0,0]=4 3917 B18R2.78948 CCN(Cc1nnsc1Cl)c2ccccc2C 269982a_100000211084_100000018852 [0,1,1,0,0,0|2,0,0]=4 3918 B18R2.78948 CCN(Cc1nonc1C)c2ccccc2C 2230a_100000211084_200000044682 [0,1,1,0,0,0|1,0,1]=4 3919 B18R2.78948 CCN(Cc1nonc1C)c2ccccc2C 269982a_100000211084_200000044682 [0,1,1,0,0,0|1,0,1]=4 3920 B18R2.78948 CCN(Cc1nonc1C)c2ccccc2C 34a_100000211084_200000044682 [0,1,1,0,0,0|1,0,1]=4 3921 B18R3.184 Cc1[nH]cnc1SC2CCc3c2cccc3 62a_100010186451_200000721974 [0,1,0,0,1,0|2,0,0]=4 3922 B18R3.2886 Cc1nc(c[nH]1)SC2CCc3c2cccc3 62a_100009814057_200000721974 [0,1,0,0,1,0|2,0,0]=4 3923 B18R3.2886 Cc1noc(n1)CN2CCc3c2cccc3 270196a_100000212224_100000742689 [0,1,0,0,1,0|1,0,1]=4 3924 B18R3.2886 Cn1cnc(c1)SC2CCc3c2cccc3 62a_100000040308_200000721974 [0,1,0,0,1,0|2,0,0]=4 3925 B20R3.161 O=c1nc(cc[nH]1)N[C@H]2CCCc3c2cccc3 27a_100020654734_200000134032 [0,1,0,0,0,1|2,0,0]=4 3926 B20R3.5238 Brc1c[nH]c(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000720742 [0,1,0,0,0,1|1,0,1]=4 3927 B20R3.5238 Brc1cc(cs1)CN2CCCc3ccccc3C2 270004a_100000059810_100000737087 [0,1,0,0,0,1|2,0,0]=4 3928 B20R3.5238 Brc1ccc(o1)CN2CCCc3ccccc3C2 270004a_100000059810_100000185145 [0,1,0,0,0,1|2,0,0]=4 3929 B20R3.5238 Brc1ccc(s1)CN2CCCc3ccccc3C2 2230a_100000059810_100000708592 [0,1,0,0,0,1|2,0,0]=4 3930 B20R3.5238 Brc1ccc(s1)CN2CCCc3ccccc3C2 269982a_100000059810_100000708592 [0,1,0,0,0,1|2,0,0]=4 3931 B20R3.5238 Brc1ccc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100000179771 [0,1,0,0,0,1|2,0,0]=4 3932 B20R3.5238 Brc1ccc(s1)CN2CCCc3ccccc3C2 34a_100000059810_100000708592 [0,1,0,0,0,1|2,0,0]=4 3933 B20R3.5238 Brc1cnc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100000699580 [0,1,0,0,0,1|2,0,0]=4 3934 B20R3.5238 Brc1coc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000747035 [0,1,0,0,0,1|2,0,0]=4 3935 B20R3.5238 Brc1csc(c1)CN2CCCc3ccccc3C2 2230a_100000059810_100000746031 [0,1,0,0,0,1|2,0,0]=4 3936 B20R3.5238 Brc1csc(c1)CN2CCCc3ccccc3C2 269982a_100000059810_100000746031 [0,1,0,0,0,1|2,0,0]=4 3937 B20R3.5238 Brc1csc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000211722 [0,1,0,0,0,1|2,0,0]=4 3938 B20R3.5238 Brc1csc(c1)CN2CCCc3ccccc3C2 34a_100000059810_100000746031 [0,1,0,0,0,1|2,0,0]=4 3939 B20R3.5238 Brc1csc(n1)CN2CCCc3ccccc3C2 270004a_100000059810_100009816814 [0,1,0,0,0,1|2,0,0]=4 3940 B20R3.5238 Brc1nc(cs1)CN2CCCc3ccccc3C2 270004a_100000059810_100009816748 [0,1,0,0,0,1|1,0,0]=3 3941 B20R3.5238 Brc1nc(cs1)CN2CCOc3ccccc3C2 270004a_100000744108_100009816748 [0,1,0,0,0,1|2,0,0]=4 3942 B20R3.5238 Brc1ncc(s1)CN2CCCc3ccccc3C2 2230a_100000059810_100000717027 [0,1,0,0,0,1|1,0,1]=4 3943 B20R3.5238 Brc1ncc(s1)CN2CCCc3ccccc3C2 269982a_100000059810_100000717027 [0,1,0,0,0,1|1,0,1]=4 3944 B20R3.5238 Brc1ncc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100009814069 [0,1,0,0,0,1|1,0,1]=4 3945 B20R3.5238 Brc1ncc(s1)CN2CCCc3ccccc3C2 34a_100000059810_100000717027 [0,1,0,0,0,1|1,0,1]=4 3946 B20R3.5238 Cc1c[nH]c(n1)CN2CCCc3ccccc3C2 270004a_100000059810_100000082322 [0,1,0,0,0,1|2,0,0]=4 3947 B20R3.5238 Cc1cc(cs1)CN2CCCc3ccccc3C2 270004a_100000059810_100011998532 [0,1,0,0,0,1|2,0,0]=4 3948 B20R3.5238 Cc1cc(no1)CN2CCCc3ccccc3C2 2230a_100000059810_100000199038 [0,1,0,0,0,1|2,0,0]=4 3949 B20R3.5238 Cc1cc(no1)CN2CCCc3ccccc3C2 269982a_100000059810_100000199038 [0,1,0,0,0,1|2,0,0]=4 3950 B20R3.5238 Cc1cc(no1)CN2CCCc3ccccc3C2 270004a_100000059810_100011217994 [0,1,0,0,0,1|2,0,0]=4 3951 B20R3.5238 Cc1cc(no1)CN2CCCc3ccccc3C2 34a_100000059810_100000199038 [0,1,0,0,0,1|2,0,0]=4 3952 B20R3.5238 Cc1cc(ns1)CN2CCCc3ccccc3C2 270004a_100000059810_200000100279 [0,1,0,0,0,1|2,0,0]=4 3953 B20R3.5238 Cc1ccc(o1)CN2CCCc3ccccc3C2 270004a_100000059810_100000183696 [0,1,0,0,0,1|2,0,0]=4 3954 B20R3.5238 Cc1ccc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100000211121 [0,1,0,0,0,1|2,0,0]=4 3955 B20R3.5238 Cc1cnc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100011361622 [0,1,0,0,0,1|2,0,0]=4 3956 B20R3.5238 Cc1csc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100102525248 [0,1,0,0,0,1|2,0,0]=4 3957 B20R3.5238 Cc1csc(n1)CN2CCCc3ccccc3C2 270004a_100000059810_100000756994 [0,1,0,0,0,1|2,0,0]=4 3958 B20R3.5238 Cc1nc(co1)CN2CCCc3ccccc3C2 270004a_100000059810_100011361629 [0,1,0,0,0,1|1,0,0]=3 3959 B20R3.5238 Cc1nc(co1)CN2CCOc3ccccc3C2 270004a_100000744108_100011361629 [0,1,0,0,0,1|2,0,0]=4 3960 B20R3.5238 Cc1nc(cs1)CN2CCCc3ccccc3C2 2230a_100000059810_100015186478 [0,1,0,0,0,1|1,0,0]=3 3961 B20R3.5238 Cc1nc(cs1)CN2CCCc3ccccc3C2 269982a_100000059810_100015186478 [0,1,0,0,0,1|1,0,0]=3 3962 B20R3.5238 Cc1nc(cs1)CN2CCCc3ccccc3C2 270004a_100000059810_100000203724 [0,1,0,0,0,1|1,0,0]=3 3963 B20R3.5238 Cc1nc(cs1)CN2CCCc3ccccc3C2 34a_100000059810_100015186478 [0,1,0,0,0,1|1,0,0]=3 3964 B20R3.5238 Cc1nc(cs1)CN2CCOc3ccccc3C2 2230a_100000744108_100015186478 [0,1,0,0,0,1|2,0,0]=4 3965 B20R3.5238 Cc1nc(cs1)CN2CCOc3ccccc3C2 269982a_100000744108_100015186478 [0,1,0,0,0,1|2,0,0]=4 3966 B20R3.5238 Cc1nc(cs1)CN2CCOc3ccccc3C2 270004a_100000744108_100000203724 [0,1,0,0,0,1|2,0,0]=4 3967 B20R3.5238 Cc1nc(cs1)CN2CCOc3ccccc3C2 34a_100000744108_100015186478 [0,1,0,0,0,1|2,0,0]=4 3968 B20R3.5238 Cc1nc(no1)CN2CCCc3ccccc3C2 2230a_100000059810_100000231061 [0,1,0,0,0,1|2,0,0]=4 3969 B20R3.5238 Cc1nc(no1)CN2CCCc3ccccc3C2 269982a_100000059810_100000231061 [0,1,0,0,0,1|2,0,0]=4 3970 B20R3.5238 Cc1nc(no1)CN2CCCc3ccccc3C2 34a_100000059810_100000231061 [0,1,0,0,0,1|2,0,0]=4 3971 B20R3.5238 Cc1ncc(o1)CN2CCCc3ccccc3C2 270004a_100000059810_100000084308 [0,1,0,0,0,1|1,0,1]=4 3972 B20R3.5238 Cc1ncc(s1)CN2CCCc3ccccc3C2 2230a_100000059810_100020635045 [0,1,0,0,0,1|1,0,1]=4 3973 B20R3.5238 Cc1ncc(s1)CN2CCCc3ccccc3C2 269982a_100000059810_100020635045 [0,1,0,0,0,1|1,0,1]=4 3974 B20R3.5238 Cc1ncc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100000740557 [0,1,0,0,0,1|1,0,1]=4 3975 B20R3.5238 Cc1ncc(s1)CN2CCCc3ccccc3C2 34a_100000059810_100020635045 [0,1,0,0,0,1|1,0,1]=4 3976 B20R3.5238 Cc1noc(n1)CN2CCCc3ccccc3C2 2230a_100000059810_100000735555 [0,1,0,0,0,1|1,0,1]=4 3977 B20R3.5238 Cc1noc(n1)CN2CCCc3ccccc3C2 269982a_100000059810_100000735555 [0,1,0,0,0,1|1,0,1]=4 3978 B20R3.5238 Cc1noc(n1)CN2CCCc3ccccc3C2 34a_100000059810_100000735555 [0,1,0,0,0,1|1,0,1]=4 3979 B20R3.5238 Clc1cc(cs1)CN2CCCc3ccccc3C2 270004a_100000059810_100009844934 [0,1,0,0,0,1|2,0,0]=4 3980 B20R3.5238 Clc1ccc(o1)CN2CCCc3ccccc3C2 270004a_100000059810_100000188459 [0,1,0,0,0,1|2,0,0]=4 3981 B20R3.5238 Clc1ccc(s1)CN2CCCc3ccccc3C2 2230a_100000059810_100000185097 [0,1,0,0,0,1|2,0,0]=4 3982 B20R3.5238 Clc1ccc(s1)CN2CCCc3ccccc3C2 269982a_100000059810_100000185097 [0,1,0,0,0,1|2,0,0]=4 3983 B20R3.5238 Clc1ccc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100000242774 [0,1,0,0,0,1|2,0,0]=4 3984 B20R3.5238 Clc1ccc(s1)CN2CCCc3ccccc3C2 34a_100000059810_100000185097 [0,1,0,0,0,1|2,0,0]=4 3985 B20R3.5238 Clc1cnc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100000699884 [0,1,0,0,0,1|2,0,0]=4 3986 B20R3.5238 Clc1csc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000102487 [0,1,0,0,0,1|2,0,0]=4 3987 B20R3.5238 Clc1nc(cs1)CN2CCCc3ccccc3C2 2230a_100000059810_100000024076 [0,1,0,0,0,1|1,0,0]=3 3988 B20R3.5238 Clc1nc(cs1)CN2CCCc3ccccc3C2 269982a_100000059810_100000024076 [0,1,0,0,0,1|1,0,0]=3 3989 B20R3.5238 Clc1nc(cs1)CN2CCCc3ccccc3C2 270004a_100000059810_100011935135 [0,1,0,0,0,1|1,0,0]=3 3990 B20R3.5238 Clc1nc(cs1)CN2CCCc3ccccc3C2 34a_100000059810_100000024076 [0,1,0,0,0,1|1,0,0]=3 3991 B20R3.5238 Clc1nc(cs1)CN2CCOc3ccccc3C2 2230a_100000744108_100000024076 [0,1,0,0,0,1|2,0,0]=4 3992 B20R3.5238 Clc1nc(cs1)CN2CCOc3ccccc3C2 269982a_100000744108_100000024076 [0,1,0,0,0,1|2,0,0]=4 3993 B20R3.5238 Clc1nc(cs1)CN2CCOc3ccccc3C2 270004a_100000744108_100011935135 [0,1,0,0,0,1|2,0,0]=4 3994 B20R3.5238 Clc1nc(cs1)CN2CCOc3ccccc3C2 34a_100000744108_100000024076 [0,1,0,0,0,1|2,0,0]=4 3995 B20R3.5238 Clc1nc(ns1)CN2CCCc3ccccc3C2 2230a_100000059810_100000043760 [0,1,0,0,0,1|2,0,0]=4 3996 B20R3.5238 Clc1nc(ns1)CN2CCCc3ccccc3C2 269982a_100000059810_100000043760 [0,1,0,0,0,1|2,0,0]=4 3997 B20R3.5238 Clc1nc(ns1)CN2CCCc3ccccc3C2 34a_100000059810_100000043760 [0,1,0,0,0,1|2,0,0]=4 3998 B20R3.5238 Clc1ncc(s1)CN2CCCc3ccccc3C2 2230a_100000059810_100000058068 [0,1,0,0,0,1|1,0,1]=4 3999 B20R3.5238 Clc1ncc(s1)CN2CCCc3ccccc3C2 269982a_100000059810_100000058068 [0,1,0,0,0,1|1,0,1]=4 4000 B20R3.5238 Clc1ncc(s1)CN2CCCc3ccccc3C2 270004a_100000059810_100000696999 [0,1,0,0,0,1|1,0,1]=4 4001 B20R3.5238 Clc1ncc(s1)CN2CCCc3ccccc3C2 34a_100000059810_100000058068 [0,1,0,0,0,1|1,0,1]=4 4002 B20R3.5238 Cn1cc(cn1)CN2CCCc3ccccc3C2 2230a_100000059810_100000744441 [0,1,0,0,0,1|2,0,0]=4 4003 B20R3.5238 Cn1cc(cn1)CN2CCCc3ccccc3C2 269982a_100000059810_100000744441 [0,1,0,0,0,1|2,0,0]=4 4004 B20R3.5238 Cn1cc(cn1)CN2CCCc3ccccc3C2 270004a_100000059810_100000206001 [0,1,0,0,0,1|2,0,0]=4 4005 B20R3.5238 Cn1cc(cn1)CN2CCCc3ccccc3C2 34a_100000059810_100000744441 [0,1,0,0,0,1|2,0,0]=4 4006 B20R3.5238 Cn1cc(nn1)CN2CCCc3ccccc3C2 270004a_100000059810_100000749909 [0,1,0,0,0,1|1,0,0]=3 4007 B20R3.5238 Cn1cc(nn1)CN2CCOc3ccccc3C2 270004a_100000744108_100000749909 [0,1,0,0,0,1|2,0,0]=4 4008 B20R3.5238 Cn1ccc(n1)CN2CCCc3ccccc3C2 2230a_100000059810_100000726502 [0,1,0,0,0,1|2,0,0]=4 4009 B20R3.5238 Cn1ccc(n1)CN2CCCc3ccccc3C2 269982a_100000059810_100000726502 [0,1,0,0,0,1|2,0,0]=4 4010 B20R3.5238 Cn1ccc(n1)CN2CCCc3ccccc3C2 270004a_100000059810_100000750880 [0,1,0,0,0,1|2,0,0]=4 4011 B20R3.5238 Cn1ccc(n1)CN2CCCc3ccccc3C2 34a_100000059810_100000726502 [0,1,0,0,0,1|2,0,0]=4 4012 B20R3.5238 Cn1cnc(c1)CN2CCCc3ccccc3C2 2230a_100000059810_100000717665 [0,1,0,0,0,1|0,0,0]=2 4013 B20R3.5238 Cn1cnc(c1)CN2CCCc3ccccc3C2 269982a_100000059810_100000717665 [0,1,0,0,0,1|0,0,0]=2 4014 B20R3.5238 Cn1cnc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000684808 [0,1,0,0,0,1|0,0,0]=2 4015 B20R3.5238 Cn1cnc(c1)CN2CCCc3ccccc3C2 34a_100000059810_100000717665 [0,1,0,0,0,1|0,0,0]=2 4016 B20R3.5238 Cn1cnc(c1)CN2CCOc3ccccc3C2 2230a_100000744108_100000717665 [0,1,0,0,0,1|1,0,0]=3 4017 B20R3.5238 Cn1cnc(c1)CN2CCOc3ccccc3C2 269982a_100000744108_100000717665 [0,1,0,0,0,1|1,0,0]=3 4018 B20R3.5238 Cn1cnc(c1)CN2CCOc3ccccc3C2 270004a_100000744108_100000684808 [0,1,0,0,0,1|1,0,0]=3 4019 B20R3.5238 Cn1cnc(c1)CN2CCOc3ccccc3C2 34a_100000744108_100000717665 [0,1,0,0,0,1|1,0,0]=3 4020 B20R3.5238 Cn1cnc(n1)CN2CCCc3ccccc3C2 2230a_100000059810_100016995526 [0,1,0,0,0,1|1,0,0]=3 4021 B20R3.5238 Cn1cnc(n1)CN2CCCc3ccccc3C2 269982a_100000059810_100016995526 [0,1,0,0,0,1|1,0,0]=3 4022 B20R3.5238 Cn1cnc(n1)CN2CCCc3ccccc3C2 270004a_100000059810_100010630104 [0,1,0,0,0,1|1,0,0]=3 4023 B20R3.5238 Cn1cnc(n1)CN2CCCc3ccccc3C2 34a_100000059810_100016995526 [0,1,0,0,0,1|1,0,0]=3 4024 B20R3.5238 Cn1cnc(n1)CN2CCOc3ccccc3C2 2230a_100000744108_100016995526 [0,1,0,0,0,1|2,0,0]=4 4025 B20R3.5238 Cn1cnc(n1)CN2CCOc3ccccc3C2 269982a_100000744108_100016995526 [0,1,0,0,0,1|2,0,0]=4 4026 B20R3.5238 Cn1cnc(n1)CN2CCOc3ccccc3C2 270004a_100000744108_100010630104 [0,1,0,0,0,1|2,0,0]=4 4027 B20R3.5238 Cn1cnc(n1)CN2CCOc3ccccc3C2 34a_100000744108_100016995526 [0,1,0,0,0,1|2,0,0]=4 4028 B20R3.5238 O=c1[nH]nc([nH]1)CN2CCCc3ccccc3C2 2230a_100000059810_100000754189 [0,1,0,0,0,1|1,0,1]=4 4029 B20R3.5238 O=c1[nH]nc([nH]1)CN2CCCc3ccccc3C2 269982a_100000059810_100000754189 [0,1,0,0,0,1|1,0,1]=4 4030 B20R3.7784 Brc1ccoc1CN2CCCc3ccccc3C2 270004a_100000059810_100000756499 [0,1,0,0,0,1|2,0,0]=4 4031 B20R3.7784 Brc1ccsc1CN2CCCc3ccccc3C2 270004a_100000059810_100000766043 [0,1,0,0,0,1|2,0,0]=4 4032 B20R3.7784 Brc1cscc1CN2CCCc3ccccc3C2 270004a_100000059810_100000685484 [0,1,0,0,0,1|2,0,0]=4 4033 B20R3.7784 Brc1sccc1CN2CCCc3ccccc3C2 2230a_100000059810_100009814289 [0,1,0,0,0,1|2,0,0]=4 4034 B20R3.7784 Brc1sccc1CN2CCCc3ccccc3C2 269982a_100000059810_100009814289 [0,1,0,0,0,1|2,0,0]=4 4035 B20R3.7784 Brc1sccc1CN2CCCc3ccccc3C2 270004a_100000059810_100009816921 [0,1,0,0,0,1|2,0,0]=4 4036 B20R3.7784 Brc1sccc1CN2CCCc3ccccc3C2 34a_100000059810_100009814289 [0,1,0,0,0,1|2,0,0]=4 4037 B20R3.7784 Cc1[nH]cnc1CN2CCCc3ccccc3C2 2230a_100000059810_100000751220 [0,1,0,0,0,1|0,0,0]=2 4038 B20R3.7784 Cc1[nH]cnc1CN2CCCc3ccccc3C2 269982a_100000059810_100000751220 [0,1,0,0,0,1|0,0,0]=2 4039 B20R3.7784 Cc1[nH]cnc1CN2CCOc3ccccc3C2 2230a_100000744108_100000751220 [0,1,0,0,0,1|1,0,0]=3 4040 B20R3.7784 Cc1[nH]cnc1CN2CCOc3ccccc3C2 269982a_100000744108_100000751220 [0,1,0,0,0,1|1,0,0]=3 4041 B20R3.7784 Cc1ccoc1CN2CCCc3ccccc3C2 270004a_100000059810_100000763527 [0,1,0,0,0,1|2,0,0]=4 4042 B20R3.7784 Cc1ccsc1CN2CCCc3ccccc3C2 270004a_100000059810_100000210881 [0,1,0,0,0,1|2,0,0]=4 4043 B20R3.7784 Cc1nonc1CN2CCCc3ccccc3C2 2230a_100000059810_200000044682 [0,1,0,0,0,1|1,0,1]=4 4044 B20R3.7784 Cc1nonc1CN2CCCc3ccccc3C2 269982a_100000059810_200000044682 [0,1,0,0,0,1|1,0,1]=4 4045 B20R3.7784 Cc1nonc1CN2CCCc3ccccc3C2 34a_100000059810_200000044682 [0,1,0,0,0,1|1,0,1]=4 4046 B20R3.7784 Cc1ocnc1CN2CCCc3ccccc3C2 2230a_100000059810_200000693990 [0,1,0,0,0,1|1,0,0]=3 4047 B20R3.7784 Cc1ocnc1CN2CCCc3ccccc3C2 34a_100000059810_200000693990 [0,1,0,0,0,1|1,0,0]=3 4048 B20R3.7784 Cc1ocnc1CN2CCOc3ccccc3C2 2230a_100000744108_200000693990 [0,1,0,0,0,1|2,0,0]=4 4049 B20R3.7784 Cc1ocnc1CN2CCOc3ccccc3C2 34a_100000744108_200000693990 [0,1,0,0,0,1|2,0,0]=4 4050 B20R3.7784 Clc1c[nH]nc1CN2CCCc3ccccc3C2 270004a_100000059810_100000040271 [0,1,0,0,0,1|2,0,0]=4 4051 B20R3.7784 Clc1ccsc1CN2CCCc3ccccc3C2 270004a_100000059810_100000722334 [0,1,0,0,0,1|2,0,0]=4 4052 B20R3.7784 Clc1sccc1CN2CCCc3ccccc3C2 2230a_100000059810_100010167017 [0,1,0,0,0,1|2,0,0]=4 4053 B20R3.7784 Clc1sccc1CN2CCCc3ccccc3C2 269982a_100000059810_100010167017 [0,1,0,0,0,1|2,0,0]=4 4054 B20R3.7784 Clc1sccc1CN2CCCc3ccccc3C2 270004a_100000059810_100000089901 [0,1,0,0,0,1|2,0,0]=4 4055 B20R3.7784 Clc1sccc1CN2CCCc3ccccc3C2 34a_100000059810_100010167017 [0,1,0,0,0,1|2,0,0]=4 4056 B20R3.7784 Clc1snnc1CN2CCCc3ccccc3C2 2230a_100000059810_100000018852 [0,1,0,0,0,1|2,0,0]=4 4057 B20R3.7784 Clc1snnc1CN2CCCc3ccccc3C2 269982a_100000059810_100000018852 [0,1,0,0,0,1|2,0,0]=4 4058 B20R3.7784 Cn1cccc1CN2CCCc3ccccc3C2 270004a_100000059810_100000211633 [0,1,0,0,0,1|1,0,1]=4 4059 B20R3.7784 Cn1ccnc1CN2CCCc3ccccc3C2 2230a_100000059810_100000700302 [0,1,0,0,0,1|2,0,0]=4 4060 B20R3.7784 Cn1ccnc1CN2CCCc3ccccc3C2 269982a_100000059810_100000700302 [0,1,0,0,0,1|2,0,0]=4 4061 B20R3.7784 Cn1ccnc1CN2CCCc3ccccc3C2 270004a_100000059810_100000748660 [0,1,0,0,0,1|2,0,0]=4 4062 B20R3.7784 Cn1ccnc1CN2CCCc3ccccc3C2 34a_100000059810_100000700302 [0,1,0,0,0,1|2,0,0]=4 4063 B20R3.7784 Cn1cncc1CN2CCCc3ccccc3C2 270004a_100000059810_100000750899 [0,1,0,0,0,1|0,0,2]=4 4064 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3c[nH]cn3 2230a_100000741138_100000707719 [0,1,0,0,0,1|1,0,0]=3 4065 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3c[nH]cn3 269982a_100000741138_100000707719 [0,1,0,0,0,1|1,0,0]=3 4066 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3c[nH]cn3 34a_100000741138_100000707719 [0,1,0,0,0,1|1,0,0]=3 4067 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3cocn3 270004a_100000741138_100000050382 [0,1,0,0,0,1|2,0,0]=4 4068 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3cscn3 2230a_100000741138_100000205941 [0,1,0,0,0,1|2,0,0]=4 4069 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3cscn3 269982a_100000741138_100000205941 [0,1,0,0,0,1|2,0,0]=4 4070 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3cscn3 270004a_100000741138_100000743575 [0,1,0,0,0,1|2,0,0]=4 4071 B20R3.3314371 Clc1ccc2c(c1)CN(CCO2)Cc3cscn3 34a_100000741138_100000205941 [0,1,0,0,0,1|2,0,0]=4 4072 B20R3.418 Cc1[nH]cnc1CNC2CCCc3c2ccnc3 207a_100020634316_100000032982 [0,1,0,0,0,1|2,0,0]=4 4073 B20R3.418 Cc1[nH]cnc1CNC2CCCc3c2ccnc3 2230a_100020634316_100000751220 [0,1,0,0,0,1|2,0,0]=4 4074 B20R3.418 Cc1[nH]cnc1CNC2CCCc3c2nccc3 207a_100011259139_100000032982 [0,1,0,0,0,1|2,0,0]=4 4075 B20R3.418 Cc1[nH]cnc1CNC2CCCc3c2nccc3 2230a_100011259139_100000751220 [0,1,0,0,0,1|2,0,0]=4 4076 B20R3.418 Cc1[nH]cnc1CNC2CCOc3c2cccc3 207a_100015190321_100000032982 [0,1,0,0,0,1|2,0,0]=4 4077 B20R3.418 Cc1[nH]cnc1CNC2CCOc3c2cccc3 2230a_100015190321_100000751220 [0,1,0,0,0,1|2,0,0]=4 4078 B20R3.418 Cc1[nH]cnc1CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000032982 [0,1,0,0,0,1|1,0,0]=3 4079 B20R3.418 Cc1ocnc1CN[C@H]2CCCc3c2cccc3 34a_100020654734_200000693990 [0,1,0,0,0,1|2,0,0]=4 4080 B20R3.418 Cc1ocnc1COC2CCCc3c2cccc3 34a_100000183665_200000693990 [0,1,0,0,0,1|2,0,0]=4 4081 B20R3.418 Cc1ocnc1COC2CCCc3c2cccc3 7a_100000183665_200000693990 [0,1,0,0,0,1|2,0,0]=4 4082 B20R3.5155 Brc1nc(cs1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100009816748 [0,1,0,0,0,1|2,0,0]=4 4083 B20R3.5155 Cc1nc(c[nH]1)CNC2CCCc3c2ccnc3 207a_100020634316_100011219055 [0,1,0,0,0,1|2,0,0]=4 4084 B20R3.5155 Cc1nc(c[nH]1)CNC2CCCc3c2nccc3 207a_100011259139_100011219055 [0,1,0,0,0,1|2,0,0]=4 4085 B20R3.5155 Cc1nc(c[nH]1)CNC2CCOc3c2cccc3 207a_100015190321_100011219055 [0,1,0,0,0,1|2,0,0]=4 4086 B20R3.5155 Cc1nc(c[nH]1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100011219055 [0,1,0,0,0,1|1,0,0]=3 4087 B20R3.5155 Cc1nc(co1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100011361629 [0,1,0,0,0,1|2,0,0]=4 4088 B20R3.5155 Cc1nc(co1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100011361629 [0,1,0,0,0,1|2,0,0]=4 4089 B20R3.5155 Cc1nc(cs1)CNC2CCCc3c2cccc3 269862a_100000707933_100000210882 [0,1,0,0,0,1|2,0,0]=4 4090 B20R3.5155 Cc1nc(cs1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000203724 [0,1,0,0,0,1|2,0,0]=4 4091 B20R3.5155 Cc1nc(cs1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000203724 [0,1,0,0,0,1|2,0,0]=4 4092 B20R3.5155 Cc1nc(cs1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100015186478 [0,1,0,0,0,1|2,0,0]=4 4093 B20R3.5155 Cc1nc(cs1)COC2CCCc3c2cccc3 34a_100000183665_100015186478 [0,1,0,0,0,1|2,0,0]=4 4094 B20R3.5155 Cc1nc(cs1)COC2CCCc3c2cccc3 7a_100000183665_100015186478 [0,1,0,0,0,1|2,0,0]=4 4095 B20R3.5155 Cc1noc(n1)CCN2CCCc3c2cccc3 270196a_100000212224_200000189361 [0,1,0,0,0,1|1,0,1]=4 4096 B20R3.5155 Clc1nc(cs1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100011935135 [0,1,0,0,0,1|2,0,0]=4 4097 B20R3.5155 Clc1nc(cs1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000024076 [0,1,0,0,0,1|2,0,0]=4 4098 B20R3.5155 Clc1nc(cs1)COC2CCCc3c2cccc3 34a_100000183665_100000024076 [0,1,0,0,0,1|2,0,0]=4 4099 B20R3.5155 Clc1nc(cs1)COC2CCCc3c2cccc3 7a_100000183665_100000024076 [0,1,0,0,0,1|2,0,0]=4 4100 B20R3.5155 Cn1cc(nn1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000749909 [0,1,0,0,0,1|2,0,0]=4 4101 B20R3.5155 Cn1cc(nn1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000749909 [0,1,0,0,0,1|2,0,0]=4 4102 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2cccc3 269862a_100011834058_100000210882 [0,1,0,0,0,1|1,0,0]=3 4103 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2cccn3 269862a_100011834058_100000058033 [0,1,0,0,0,1|2,0,0]=4 4104 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2ccnc3 207a_100020634316_100000684808 [0,1,0,0,0,1|2,0,0]=4 4105 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2ccnc3 2230a_100020634316_100000717665 [0,1,0,0,0,1|2,0,0]=4 4106 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2ccnc3 269862a_100011834058_100000087567 [0,1,0,0,0,1|2,0,0]=4 4107 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2ccnc3 270004a_100020634316_100000684808 [0,1,0,0,0,1|2,0,0]=4 4108 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2cncc3 269862a_100011834058_100016991936 [0,1,0,0,0,1|2,0,0]=4 4109 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2nccc3 207a_100011259139_100000684808 [0,1,0,0,0,1|2,0,0]=4 4110 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2nccc3 2230a_100011259139_100000717665 [0,1,0,0,0,1|2,0,0]=4 4111 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2nccc3 269862a_100011834058_100000067617 [0,1,0,0,0,1|2,0,0]=4 4112 B20R3.5155 Cn1cnc(c1)CNC2CCCc3c2nccc3 270004a_100011259139_100000684808 [0,1,0,0,0,1|2,0,0]=4 4113 B20R3.5155 Cn1cnc(c1)CNC2CCOc3c2cccc3 207a_100015190321_100000684808 [0,1,0,0,0,1|2,0,0]=4 4114 B20R3.5155 Cn1cnc(c1)CNC2CCOc3c2cccc3 2230a_100015190321_100000717665 [0,1,0,0,0,1|2,0,0]=4 4115 B20R3.5155 Cn1cnc(c1)CNC2CCOc3c2cccc3 270004a_100015190321_100000684808 [0,1,0,0,0,1|2,0,0]=4 4116 B20R3.5155 Cn1cnc(c1)CNC2CCSc3c2cccc3 269862a_100011834058_100000183853 [0,1,0,0,0,1|2,0,0]=4 4117 B20R3.5155 Cn1cnc(c1)CNC2COCc3c2cccc3 269862a_100011834058_100000117393 [0,1,0,0,0,1|2,0,0]=4 4118 B20R3.5155 Cn1cnc(c1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000684808 [0,1,0,0,0,1|1,0,0]=3 4119 B20R3.5155 Cn1cnc(c1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000684808 [0,1,0,0,0,1|1,0,0]=3 4120 B20R3.5155 Cn1cnc(c1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000717665 [0,1,0,0,0,1|1,0,0]=3 4121 B20R3.5155 Cn1cnc(c1)COC2CCCc3c2cccc3 34a_100000183665_100000717665 [0,1,0,0,0,1|1,0,0]=3 4122 B20R3.5155 Cn1cnc(c1)COC2CCCc3c2cccc3 7a_100000183665_100000717665 [0,1,0,0,0,1|1,0,0]=3 4123 B20R3.5155 Cn1cnc(c1)COC2CCOc3c2cccc3 7a_100000708930_100000717665 [0,1,0,0,0,1|2,0,0]=4 4124 B20R3.5155 Cn1cnc(c1)COC2COCc3c2cccc3 34a_100012179175_100000717665 [0,1,0,0,0,1|2,0,0]=4 4125 B20R3.5155 Cn1cnc(n1)CNC2CCCc3c2cccc3 269862a_100000695864_100000210882 [0,1,0,0,0,1|2,0,0]=4 4126 B20R3.5155 Cn1cnc(n1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100010630104 [0,1,0,0,0,1|2,0,0]=4 4127 B20R3.5155 Cn1cnc(n1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100010630104 [0,1,0,0,0,1|2,0,0]=4 4128 B20R3.5155 Cn1cnc(n1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100016995526 [0,1,0,0,0,1|2,0,0]=4 4129 B20R3.5155 Cn1cnc(n1)COC2CCCc3c2cccc3 34a_100000183665_100016995526 [0,1,0,0,0,1|2,0,0]=4 4130 B20R3.5155 Cn1cnc(n1)COC2CCCc3c2cccc3 7a_100000183665_100016995526 [0,1,0,0,0,1|2,0,0]=4 4131 B20R3.5958 Brc1ccc2c(c1)CCCC2NCc3cocn3 269862a_100015188801_100000688402 [0,1,0,0,0,1|2,0,0]=4 4132 B20R3.5958 Brc1ccc2c(c1)CCCC2NCc3cscn3 269862a_100015185402_100000688402 [0,1,0,0,0,1|2,0,0]=4 4133 B20R3.5958 Brc1ccc2c(c1)CCC[C@@H]2NCc3c[nH]cn3 2230a_100160469487_100000707719 [0,1,0,0,0,1|1,0,0]=3 4134 B20R3.5958 Brc1ccc2c(c1)CCC[C@@H]2NCc3c[nH]cn3 34a_100160469487_100000707719 [0,1,0,0,0,1|1,0,0]=3 4135 B20R3.5958 Brc1ccc2c(c1)CCC[C@@H]2NCc3cocn3 270004a_100160469487_100000050382 [0,1,0,0,0,1|2,0,0]=4 4136 B20R3.5958 Brc1ccc2c(c1)CCC[C@@H]2NCc3cscn3 207a_100160469487_100000743575 [0,1,0,0,0,1|2,0,0]=4 4137 B20R3.5958 Brc1ccc2c(c1)CCC[C@@H]2NCc3cscn3 2230a_100160469487_100000205941 [0,1,0,0,0,1|2,0,0]=4 4138 B20R3.5958 Brc1ccc2c(c1)CCC[C@@H]2NCc3cscn3 270004a_100160469487_100000743575 [0,1,0,0,0,1|2,0,0]=4 4139 B20R3.5958 Brc1ccc2c(c1)CCC[C@@H]2NCc3cscn3 34a_100160469487_100000205941 [0,1,0,0,0,1|2,0,0]=4 4140 B20R3.5958 Brc1ccc2c(c1)OCC[C@H]2NCc3c[nH]cn3 2230a_100020639266_100000707719 [0,1,0,0,0,1|2,0,0]=4 4141 B20R3.5958 Cc1ccc2c(c1)CCCC2NCc3cocn3 269862a_100015188801_100000074264 [0,1,0,0,0,1|2,0,0]=4 4142 B20R3.5958 Cc1ccc2c(c1)CCCC2NCc3cscn3 269862a_100015185402_100000074264 [0,1,0,0,0,1|2,0,0]=4 4143 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3c[nH]cn3 2230a_100025717365_100000707719 [0,1,0,0,0,1|1,0,0]=3 4144 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3c[nH]cn3 34a_100025717365_100000707719 [0,1,0,0,0,1|1,0,0]=3 4145 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3cocn3 269862a_100015188801_100000081257 [0,1,0,0,0,1|2,0,0]=4 4146 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3cocn3 270004a_100025717365_100000050382 [0,1,0,0,0,1|2,0,0]=4 4147 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3cscn3 207a_100025717365_100000743575 [0,1,0,0,0,1|2,0,0]=4 4148 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3cscn3 2230a_100025717365_100000205941 [0,1,0,0,0,1|2,0,0]=4 4149 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3cscn3 269862a_100015185402_100000081257 [0,1,0,0,0,1|2,0,0]=4 4150 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3cscn3 270004a_100025717365_100000743575 [0,1,0,0,0,1|2,0,0]=4 4151 B20R3.5958 Clc1ccc2c(c1)CCCC2NCc3cscn3 34a_100025717365_100000205941 [0,1,0,0,0,1|2,0,0]=4 4152 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3c[nH]cn3 2230a_100000695172_100000707719 [0,1,0,0,0,1|1,0,0]=3 4153 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3c[nH]cn3 34a_100000695172_100000707719 [0,1,0,0,0,1|1,0,0]=3 4154 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3cocn3 269862a_100015188801_100000090879 [0,1,0,0,0,1|2,0,0]=4 4155 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3cocn3 270004a_100000695172_100000050382 [0,1,0,0,0,1|2,0,0]=4 4156 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3cscn3 207a_100000695172_100000743575 [0,1,0,0,0,1|2,0,0]=4 4157 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3cscn3 2230a_100000695172_100000205941 [0,1,0,0,0,1|2,0,0]=4 4158 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3cscn3 269862a_100015185402_100000090879 [0,1,0,0,0,1|2,0,0]=4 4159 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3cscn3 270004a_100000695172_100000743575 [0,1,0,0,0,1|2,0,0]=4 4160 B20R3.5958 Fc1ccc2c(c1)CCCC2NCc3cscn3 34a_100000695172_100000205941 [0,1,0,0,0,1|2,0,0]=4 4161 B20R3.5958 Fc1ccc2c(c1)OCCC2NCc3c[nH]cn3 2230a_100015190460_100000707719 [0,1,0,0,0,1|2,0,0]=4 4162 B20R3.5958 Fc1ccc2c(c1)OCCC2NCc3c[nH]cn3 34a_100015190460_100000707719 [0,1,0,0,0,1|2,0,0]=4 4163 B20R3.5958 Ic1ccc2c(c1)CCCC2NCc3cocn3 269862a_100015188801_100000050035 [0,1,0,0,0,1|2,0,0]=4 4164 B20R3.5958 Ic1ccc2c(c1)CCCC2NCc3cscn3 269862a_100015185402_100000050035 [0,1,0,0,0,1|2,0,0]=4 4165 B20R3.14776 CC1CCc2ccccc2C1NCc3cocn3 269862a_100015188801_100000696181 [0,1,0,0,0,1|2,0,0]=4 4166 B20R3.14776 CC1CCc2ccccc2C1NCc3cscn3 269862a_100015185402_100000696181 [0,1,0,0,0,1|2,0,0]=4 4167 B20R3.16136 CN(Cc1c[nH]cn1)C2CCCc3c2cccc3 2230a_100000185324_100000707719 [0,1,0,0,0,1|1,0,0]=3 4168 B20R3.16136 CN(Cc1c[nH]cn1)C2CCCc3c2cccc3 269982a_100000185324_100000707719 [0,1,0,0,0,1|1,0,0]=3 4169 B20R3.16136 CN(Cc1c[nH]cn1)C2CCCc3c2cccc3 34a_100000185324_100000707719 [0,1,0,0,0,1|1,0,0]=3 4170 B20R3.16136 CN(Cc1cocn1)C2CCCc3c2cccc3 270004a_100000185324_100000050382 [0,1,0,0,0,1|2,0,0]=4 4171 B20R3.16136 CN(Cc1cscn1)C2CCCc3c2cccc3 2230a_100000185324_100000205941 [0,1,0,0,0,1|2,0,0]=4 4172 B20R3.16136 CN(Cc1cscn1)C2CCCc3c2cccc3 269982a_100000185324_100000205941 [0,1,0,0,0,1|2,0,0]=4 4173 B20R3.16136 CN(Cc1cscn1)C2CCCc3c2cccc3 270004a_100000185324_100000743575 [0,1,0,0,0,1|2,0,0]=4 4174 B20R3.16136 CN(Cc1cscn1)C2CCCc3c2cccc3 34a_100000185324_100000205941 [0,1,0,0,0,1|2,0,0]=4 4175 B20R3.16136 O=C(Cc1c[nH]cn1)C2CCCc3c2cccc3 1458a_100011198263_100000707719 [0,1,0,0,0,1|1,0,0]=3 4176 B20R3.16136 O=C(Cc1c[nH]cn1)C2OCCc3c2cccc3 1458a_100000026751_100000707719 [0,1,0,0,0,1|2,0,0]=4 4177 B20R3.16136 O=C(Cc1cscn1)C2CCCc3c2cccc3 1458a_100011198263_100000205941 [0,1,0,0,0,1|2,0,0]=4 4178 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3c[nH]cn3 2230a_100011742594_100000707719 [0,1,0,0,0,1|1,0,0]=3 4179 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3c[nH]cn3 34a_100011742594_100000707719 [0,1,0,0,0,1|1,0,0]=3 4180 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3cocn3 269862a_100015188801_100000760428 [0,1,0,0,0,1|2,0,0]=4 4181 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3cocn3 270004a_100011742594_100000050382 [0,1,0,0,0,1|2,0,0]=4 4182 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3cscn3 207a_100011742594_100000743575 [0,1,0,0,0,1|2,0,0]=4 4183 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3cscn3 2230a_100011742594_100000205941 [0,1,0,0,0,1|2,0,0]=4 4184 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3cscn3 269862a_100015185402_100000760428 [0,1,0,0,0,1|2,0,0]=4 4185 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3cscn3 270004a_100011742594_100000743575 [0,1,0,0,0,1|2,0,0]=4 4186 B20R3.94335 Brc1ccc2c(c1)C(CCC2)NCc3cscn3 34a_100011742594_100000205941 [0,1,0,0,0,1|2,0,0]=4 4187 B20R3.94335 Brc1ccc2c(c1)C(CCC2)OCc3c[nH]cn3 34a_100011660633_100000707719 [0,1,0,0,0,1|1,0,0]=3 4188 B20R3.94335 Brc1ccc2c(c1)C(CCC2)OCc3cscn3 34a_100011660633_100000205941 [0,1,0,0,0,1|2,0,0]=4 4189 B20R3.94335 Brc1ccc2c(c1)C(CCC2)OCc3cscn3 7a_100011660633_100000205941 [0,1,0,0,0,1|2,0,0]=4 4190 B20R3.94335 Brc1ccc2c(c1)C(CCS2)NCc3c[nH]cn3 2230a_100000744474_100000707719 [0,1,0,0,0,1|2,0,0]=4 4191 B20R3.94335 Brc1ccc2c(c1)[C@H](CCO2)NCc3c[nH]cn3 2230a_100020639276_100000707719 [0,1,0,0,0,1|2,0,0]=4 4192 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3c[nH]cn3 2230a_100015204190_100000707719 [0,1,0,0,0,1|1,0,0]=3 4193 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3c[nH]cn3 34a_100015204190_100000707719 [0,1,0,0,0,1|1,0,0]=3 4194 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3cocn3 269862a_100015188801_100000685544 [0,1,0,0,0,1|2,0,0]=4 4195 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3cocn3 270004a_100015204190_100000050382 [0,1,0,0,0,1|2,0,0]=4 4196 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3cscn3 207a_100015204190_100000743575 [0,1,0,0,0,1|2,0,0]=4 4197 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3cscn3 2230a_100015204190_100000205941 [0,1,0,0,0,1|2,0,0]=4 4198 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3cscn3 269862a_100015185402_100000685544 [0,1,0,0,0,1|2,0,0]=4 4199 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3cscn3 270004a_100015204190_100000743575 [0,1,0,0,0,1|2,0,0]=4 4200 B20R3.94335 Cc1ccc2c(c1)C(CCC2)NCc3cscn3 34a_100015204190_100000205941 [0,1,0,0,0,1|2,0,0]=4 4201 B20R3.94335 Clc1ccc2c(c1)C(CCC2)NCc3cocn3 269862a_100015188801_100000691401 [0,1,0,0,0,1|2,0,0]=4 4202 B20R3.94335 Clc1ccc2c(c1)C(CCC2)NCc3cscn3 269862a_100015185402_100000691401 [0,1,0,0,0,1|2,0,0]=4 4203 B20R3.94335 Clc1ccc2c(c1)C(CCO2)NCc3c[nH]cn3 2230a_100011264799_100000707719 [0,1,0,0,0,1|2,0,0]=4 4204 B20R3.94335 Clc1ccc2c(c1)C(CCO2)NCc3c[nH]cn3 34a_100011264799_100000707719 [0,1,0,0,0,1|2,0,0]=4 4205 B20R3.94335 Clc1ccc2c(c1)[C@H](CCC2)NCc3c[nH]cn3 2230a_100011998213_100000707719 [0,1,0,0,0,1|1,0,0]=3 4206 B20R3.94335 Clc1ccc2c(c1)[C@H](CCC2)NCc3c[nH]cn3 34a_100011998213_100000707719 [0,1,0,0,0,1|1,0,0]=3 4207 B20R3.94335 Clc1ccc2c(c1)[C@H](CCC2)NCc3cocn3 270004a_100011998213_100000050382 [0,1,0,0,0,1|2,0,0]=4 4208 B20R3.94335 Clc1ccc2c(c1)[C@H](CCC2)NCc3cscn3 207a_100011998213_100000743575 [0,1,0,0,0,1|2,0,0]=4 4209 B20R3.94335 Clc1ccc2c(c1)[C@H](CCC2)NCc3cscn3 2230a_100011998213_100000205941 [0,1,0,0,0,1|2,0,0]=4 4210 B20R3.94335 Clc1ccc2c(c1)[C@H](CCC2)NCc3cscn3 270004a_100011998213_100000743575 [0,1,0,0,0,1|2,0,0]=4 4211 B20R3.94335 Clc1ccc2c(c1)[C@H](CCC2)NCc3cscn3 34a_100011998213_100000205941 [0,1,0,0,0,1|2,0,0]=4 4212 B20R3.94335 Fc1ccc2c(c1)C(CCC2)NCc3cocn3 269862a_100015188801_100000691130 [0,1,0,0,0,1|2,0,0]=4 4213 B20R3.94335 Fc1ccc2c(c1)C(CCC2)NCc3cscn3 269862a_100015185402_100000691130 [0,1,0,0,0,1|2,0,0]=4 4214 B20R3.94335 Fc1ccc2c(c1)C(CCO2)NCc3c[nH]cn3 2230a_100000754146_100000707719 [0,1,0,0,0,1|2,0,0]=4 4215 B20R3.94335 Fc1ccc2c(c1)C(CCO2)NCc3c[nH]cn3 34a_100000754146_100000707719 [0,1,0,0,0,1|2,0,0]=4 4216 B20R3.94335 Fc1ccc2c(c1)[C@@H](CCC2)NCc3c[nH]cn3 2230a_200000724602_100000707719 [0,1,0,0,0,1|1,0,0]=3 4217 B20R3.94335 Fc1ccc2c(c1)[C@@H](CCC2)NCc3c[nH]cn3 34a_200000724602_100000707719 [0,1,0,0,0,1|1,0,0]=3 4218 B20R3.94335 Fc1ccc2c(c1)[C@@H](CCC2)NCc3cocn3 270004a_200000724602_100000050382 [0,1,0,0,0,1|2,0,0]=4 4219 B20R3.94335 Fc1ccc2c(c1)[C@@H](CCC2)NCc3cscn3 207a_200000724602_100000743575 [0,1,0,0,0,1|2,0,0]=4 4220 B20R3.94335 Fc1ccc2c(c1)[C@@H](CCC2)NCc3cscn3 2230a_200000724602_100000205941 [0,1,0,0,0,1|2,0,0]=4 4221 B20R3.94335 Fc1ccc2c(c1)[C@@H](CCC2)NCc3cscn3 270004a_200000724602_100000743575 [0,1,0,0,0,1|2,0,0]=4 4222 B20R3.94335 Fc1ccc2c(c1)[C@@H](CCC2)NCc3cscn3 34a_200000724602_100000205941 [0,1,0,0,0,1|2,0,0]=4 4223 B20R3.94335 Ic1ccc2c(c1)C(CCC2)NCc3cocn3 269862a_100015188801_100000050175 [0,1,0,0,0,1|2,0,0]=4 4224 B20R3.94335 Ic1ccc2c(c1)C(CCC2)NCc3cscn3 269862a_100015185402_100000050175 [0,1,0,0,0,1|2,0,0]=4 4225 B20R3.94335 Nc1ccc2c(c1)C(CCC2)OCc3c[nH]cn3 34a_100009883350_100000707719 [0,1,0,0,0,1|1,0,0]=3 4226 B20R3.94335 Nc1ccc2c(c1)C(CCC2)OCc3cscn3 34a_100009883350_100000205941 [0,1,0,0,0,1|2,0,0]=4 4227 B20R3.251258 Brc1cccc2c1CCCC2NCc3c[nH]cn3 2230a_100020639248_100000707719 [0,1,0,0,0,1|1,0,0]=3 4228 B20R3.251258 Brc1cccc2c1CCCC2NCc3c[nH]cn3 34a_100020639248_100000707719 [0,1,0,0,0,1|1,0,0]=3 4229 B20R3.251258 Brc1cccc2c1CCCC2NCc3cocn3 269862a_100015188801_100000691372 [0,1,0,0,0,1|2,0,0]=4 4230 B20R3.251258 Brc1cccc2c1CCCC2NCc3cocn3 270004a_100020639248_100000050382 [0,1,0,0,0,1|2,0,0]=4 4231 B20R3.251258 Brc1cccc2c1CCCC2NCc3cscn3 207a_100020639248_100000743575 [0,1,0,0,0,1|2,0,0]=4 4232 B20R3.251258 Brc1cccc2c1CCCC2NCc3cscn3 2230a_100020639248_100000205941 [0,1,0,0,0,1|2,0,0]=4 4233 B20R3.251258 Brc1cccc2c1CCCC2NCc3cscn3 269862a_100015185402_100000691372 [0,1,0,0,0,1|2,0,0]=4 4234 B20R3.251258 Brc1cccc2c1CCCC2NCc3cscn3 270004a_100020639248_100000743575 [0,1,0,0,0,1|2,0,0]=4 4235 B20R3.251258 Brc1cccc2c1CCCC2NCc3cscn3 34a_100020639248_100000205941 [0,1,0,0,0,1|2,0,0]=4 4236 B20R3.251258 Brc1cccc2c1CCCC2OCc3c[nH]cn3 34a_100009815610_100000707719 [0,1,0,0,0,1|1,0,0]=3 4237 B20R3.251258 Brc1cccc2c1CCCC2OCc3cscn3 34a_100009815610_100000205941 [0,1,0,0,0,1|2,0,0]=4 4238 B20R3.251258 Brc1cccc2c1CCCC2OCc3cscn3 7a_100009815610_100000205941 [0,1,0,0,0,1|2,0,0]=4 4239 B20R3.251258 Brc1cccc2c1OCCC2NCc3c[nH]cn3 2230a_100000727345_100000707719 [0,1,0,0,0,1|2,0,0]=4 4240 B20R3.251258 Brc1cccc2c1OCCC2NCc3c[nH]cn3 34a_100000727345_100000707719 [0,1,0,0,0,1|2,0,0]=4 4241 B20R3.251258 Cc1cccc2c1OCC[C@H]2NCc3c[nH]cn3 2230a_100000717741_100000707719 [0,1,0,0,0,1|2,0,0]=4 4242 B20R3.251258 Cc1cccc2c1OCC[C@H]2NCc3c[nH]cn3 34a_100000717741_100000707719 [0,1,0,0,0,1|2,0,0]=4 4243 B20R3.251258 Clc1cccc2c1CCCC2NCc3cocn3 269862a_100015188801_100000063505 [0,1,0,0,0,1|2,0,0]=4 4244 B20R3.251258 Clc1cccc2c1CCCC2NCc3cscn3 269862a_100015185402_100000063505 [0,1,0,0,0,1|2,0,0]=4 4245 B20R3.251258 Clc1cccc2c1CCC[C@H]2NCc3c[nH]cn3 2230a_100025717364_100000707719 [0,1,0,0,0,1|1,0,0]=3 4246 B20R3.251258 Clc1cccc2c1CCC[C@H]2NCc3c[nH]cn3 34a_100025717364_100000707719 [0,1,0,0,0,1|1,0,0]=3 4247 B20R3.251258 Clc1cccc2c1CCC[C@H]2NCc3cocn3 270004a_100025717364_100000050382 [0,1,0,0,0,1|2,0,0]=4 4248 B20R3.251258 Clc1cccc2c1CCC[C@H]2NCc3cscn3 207a_100025717364_100000743575 [0,1,0,0,0,1|2,0,0]=4 4249 B20R3.251258 Clc1cccc2c1CCC[C@H]2NCc3cscn3 2230a_100025717364_100000205941 [0,1,0,0,0,1|2,0,0]=4 4250 B20R3.251258 Clc1cccc2c1CCC[C@H]2NCc3cscn3 270004a_100025717364_100000743575 [0,1,0,0,0,1|2,0,0]=4 4251 B20R3.251258 Clc1cccc2c1CCC[C@H]2NCc3cscn3 34a_100025717364_100000205941 [0,1,0,0,0,1|2,0,0]=4 4252 B20R3.251258 Fc1cccc2c1CCCC2NCc3c[nH]cn3 2230a_100000085590_100000707719 [0,1,0,0,0,1|1,0,0]=3 4253 B20R3.251258 Fc1cccc2c1CCCC2NCc3c[nH]cn3 34a_100000085590_100000707719 [0,1,0,0,0,1|1,0,0]=3 4254 B20R3.251258 Fc1cccc2c1CCCC2NCc3cocn3 269862a_100015188801_100000087435 [0,1,0,0,0,1|2,0,0]=4 4255 B20R3.251258 Fc1cccc2c1CCCC2NCc3cocn3 270004a_100000085590_100000050382 [0,1,0,0,0,1|2,0,0]=4 4256 B20R3.251258 Fc1cccc2c1CCCC2NCc3cscn3 207a_100000085590_100000743575 [0,1,0,0,0,1|2,0,0]=4 4257 B20R3.251258 Fc1cccc2c1CCCC2NCc3cscn3 2230a_100000085590_100000205941 [0,1,0,0,0,1|2,0,0]=4 4258 B20R3.251258 Fc1cccc2c1CCCC2NCc3cscn3 269862a_100015185402_100000087435 [0,1,0,0,0,1|2,0,0]=4 4259 B20R3.251258 Fc1cccc2c1CCCC2NCc3cscn3 270004a_100000085590_100000743575 [0,1,0,0,0,1|2,0,0]=4 4260 B20R3.251258 Fc1cccc2c1CCCC2NCc3cscn3 34a_100000085590_100000205941 [0,1,0,0,0,1|2,0,0]=4 4261 B20R3.251258 Fc1cccc2c1OCCC2NCc3c[nH]cn3 2230a_100000746867_100000707719 [0,1,0,0,0,1|2,0,0]=4 4262 B20R3.251258 Fc1cccc2c1OCCC2NCc3c[nH]cn3 34a_100000746867_100000707719 [0,1,0,0,0,1|2,0,0]=4 4263 B20R3.251258 Oc1cccc2c1CCCC2NCc3cocn3 269862a_100015188801_100000763485 [0,1,0,0,0,1|2,0,0]=4 4264 B20R3.251258 Oc1cccc2c1CCCC2NCc3cscn3 269862a_100015185402_100000763485 [0,1,0,0,0,1|2,0,0]=4 4265 B20R3.275225 CC1CCC(c2c1cccc2)NCc3cocn3 269862a_100015188801_100000689179 [0,1,0,0,0,1|2,0,0]=4 4266 B20R3.275225 CC1CCC(c2c1cccc2)NCc3cscn3 269862a_100015185402_100000689179 [0,1,0,0,0,1|2,0,0]=4 4267 B20R3.331575 CC(N[C@H]1CCCc2c1cccc2)c3cc[nH]c3 269862a_100020654734_100000753940 [0,1,0,0,0,1|2,0,0]=4 4268 B20R3.331575 CC(N[C@H]1CCCc2c1cccc2)c3cscn3 269862a_100020654734_100000693406 [0,1,0,0,0,1|2,0,0]=4 4269 B20R3.2885163 CC1(CCCc2c1cccc2)OCc3c[nH]cn3 34a_200011345745_100000707719 [0,1,0,0,0,1|1,0,0]=3 4270 B20R3.2885163 CC1(CCCc2c1cccc2)OCc3cscn3 34a_200011345745_100000205941 [0,1,0,0,0,1|2,0,0]=4 4271 B20R3.2885163 CC1(CCCc2c1cccc2)OCc3cscn3 7a_200011345745_100000205941 [0,1,0,0,0,1|2,0,0]=4 4272 B20R3.4389304 Fc1cccc2c1C(CCO2)NCc3c[nH]cn3 2230a_100009881269_100000707719 [0,1,0,0,0,1|2,0,0]=4 4273 B20R3.4389304 Fc1cccc2c1C(CCO2)NCc3c[nH]cn3 34a_100009881269_100000707719 [0,1,0,0,0,1|2,0,0]=4 4274 B18R3.36580 c1ccc2c(c1)CCN(C2)Cc3c[nH]cn3 2230a_100000188457_100000707719 [0,0,1,1,0,0|0,0,2]=4 4275 B18R3.36580 c1ccc2c(c1)CCN(C2)Cc3c[nH]cn3 269982a_100000188457_100000707719 [0,0,1,1,0,0|0,0,2]=4 4276 B18R3.36580 c1ccc2c(c1)CCN(C2)Cc3c[nH]cn3 34a_100000188457_100000707719 [0,0,1,1,0,0|0,0,2]=4 4277 B18R3.222274 c1ccc(cc1)N(Cc2ccco2)C3CC3 269982a_100000230375_100000211595 [0,0,1,1,0,0|2,0,0]=4 4278 B18R3.222274 c1ccc(cc1)N(Cc2ccco2)C3CC3 34a_100000230375_100000211595 [0,0,1,1,0,0|2,0,0]=4 4279 B18R3.2091 c1ccc2c(c1)CC2COCc3c[nH]cn3 34a_100012476685_100000707719 [0,0,1,1,0,0|1,0,0]=3 4280 B18R3.2091 c1ccc2c(c1)CC2COCc3cscn3 34a_100012476685_100000205941 [0,0,1,1,0,0|2,0,0]=4 4281 B18R3.2091 c1ccc2c(c1)CC2COCc3cscn3 7a_100012476685_100000205941 [0,0,1,1,0,0|2,0,0]=4 4282 B18R3.2091 c1ccc2c(c1)CC2SCCc3c[nH]cn3 62a_100009813401_100020628418 [0,0,1,1,0,0|2,0,0]=4 4283 B18R3.2091 c1ccc2c(c1)CC2SCCc3c[nH]cn3 62a_100020628418_100009813401 [0,0,1,1,0,0|2,0,0]=4 4284 B18R3.3347 c1ccc2c(c1)CCC2NCc3cc[nH]n3 269862a_100000739516_100000212051 [0,0,1,1,0,0|2,0,0]=4 4285 B18R3.3347 c1ccc2c(c1)CCC2NCc3ccoc3 2230a_100015206860_200000721974 [0,0,1,1,0,0|2,0,0]=4 4286 B18R3.3347 c1ccc2c(c1)CCC2NCc3ccoc3 269862a_100015206860_100000212051 [0,0,1,1,0,0|2,0,0]=4 4287 B18R3.3347 c1ccc2c(c1)CCC2NCc3ccon3 269862a_100000688301_100000212051 [0,0,1,1,0,0|2,0,0]=4 4288 B18R3.3347 c1ccc2c(c1)CCC2NCc3ccsc3 2230a_100000186416_200000721974 [0,0,1,1,0,0|2,0,0]=4 4289 B18R3.3347 c1ccc2c(c1)CCC2NCc3ccsc3 269862a_100000186416_100000212051 [0,0,1,1,0,0|2,0,0]=4 4290 B18R3.3347 c1ccc2c(c1)CCC2NCc3cnco3 269862a_100020634212_100000212051 [0,0,1,1,0,0|1,0,1]=4 4291 B18R3.3347 c1ccc2c(c1)CCC2NCc3cncs3 2230a_100016987365_200000721974 [0,0,1,1,0,0|1,0,1]=4 4292 B18R3.3347 c1ccc2c(c1)CCC2NCc3cncs3 269862a_100016987365_100000212051 [0,0,1,1,0,0|1,0,1]=4 4293 B18R3.3347 c1ccc2c(c1)CCC2NCc3cocn3 269862a_100015188801_100000212051 [0,0,1,1,0,0|1,0,0]=3 4294 B18R3.3347 c1ccc2c(c1)CCC2NCc3cscn3 2230a_100015185402_200000721974 [0,0,1,1,0,0|1,0,0]=3 4295 B18R3.3347 c1ccc2c(c1)CCC2NCc3cscn3 269862a_100015185402_100000212051 [0,0,1,1,0,0|1,0,0]=3 4296 B18R3.3347 c1ccc2c(c1)CCC2NCc3ncco3 2230a_100016994969_200000721974 [0,0,1,1,0,0|2,0,0]=4 4297 B18R3.3347 c1ccc2c(c1)CCC2NCc3nccs3 2230a_100000740555_200000721974 [0,0,1,1,0,0|2,0,0]=4 4298 B18R3.3347 c1ccc2c(c1)CCC2NCc3nccs3 269862a_100000740555_100000212051 [0,0,1,1,0,0|2,0,0]=4 4299 B18R3.3347 c1ccc2c(c1)CCC2OCc3c[nH]cn3 34a_100000212247_100000707719 [0,0,1,1,0,0|1,0,0]=3 4300 B18R3.3347 c1ccc2c(c1)CCC2OCc3cscn3 34a_100000212247_100000205941 [0,0,1,1,0,0|2,0,0]=4 4301 B18R3.3347 c1ccc2c(c1)CCC2OCc3cscn3 7a_100000212247_100000205941 [0,0,1,1,0,0|2,0,0]=4 4302 B18R3.3347 c1ccc2c(c1)CCC2SCc3c[nH]cn3 62a_100000707719_200000721974 [0,0,1,1,0,0|1,0,0]=3 4303 B18R3.3347 c1ccc2c(c1)CCC2SCc3cscn3 62a_100000205941_200000721974 [0,0,1,1,0,0|2,0,0]=4 4304 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3c[nH]cn3 2230a_100016989578_100000707719 [0,0,1,1,0,0|0,0,0]=2 4305 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3c[nH]cn3 34a_100016989578_100000707719 [0,0,1,1,0,0|0,0,0]=2 4306 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cc[nH]n3 207a_100016989578_100000738523 [0,0,1,1,0,0|2,0,0]=4 4307 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cc[nH]n3 270004a_100016989578_100000738523 [0,0,1,1,0,0|2,0,0]=4 4308 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccoc3 207a_100016989578_100011215517 [0,0,1,1,0,0|2,0,0]=4 4309 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccoc3 270004a_100016989578_100011215517 [0,0,1,1,0,0|2,0,0]=4 4310 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccon3 2230a_100016989578_100000234950 [0,0,1,1,0,0|2,0,0]=4 4311 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccon3 34a_100016989578_100000234950 [0,0,1,1,0,0|2,0,0]=4 4312 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccsc3 207a_100016989578_100000188534 [0,0,1,1,0,0|2,0,0]=4 4313 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccsc3 2230a_100016989578_100011261437 [0,0,1,1,0,0|2,0,0]=4 4314 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccsc3 270004a_100016989578_100000188534 [0,0,1,1,0,0|2,0,0]=4 4315 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ccsc3 34a_100016989578_100011261437 [0,0,1,1,0,0|2,0,0]=4 4316 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cn[nH]c3 207a_100016989578_100016992096 [0,0,1,1,0,0|2,0,0]=4 4317 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cn[nH]c3 270004a_100016989578_100016992096 [0,0,1,1,0,0|2,0,0]=4 4318 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cnc[nH]3 207a_100016989578_100000742939 [0,0,1,1,0,0|0,0,2]=4 4319 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cnco3 270004a_100016989578_100000064291 [0,0,1,1,0,0|1,0,1]=4 4320 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cncs3 207a_100016989578_100000749870 [0,0,1,1,0,0|1,0,1]=4 4321 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cncs3 2230a_100016989578_100015185245 [0,0,1,1,0,0|1,0,1]=4 4322 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cncs3 270004a_100016989578_100000749870 [0,0,1,1,0,0|1,0,1]=4 4323 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cncs3 34a_100016989578_100015185245 [0,0,1,1,0,0|1,0,1]=4 4324 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cocn3 270004a_100016989578_100000050382 [0,0,1,1,0,0|1,0,0]=3 4325 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cscn3 207a_100016989578_100000743575 [0,0,1,1,0,0|1,0,0]=3 4326 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cscn3 2230a_100016989578_100000205941 [0,0,1,1,0,0|1,0,0]=3 4327 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cscn3 270004a_100016989578_100000743575 [0,0,1,1,0,0|1,0,0]=3 4328 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cscn3 34a_100016989578_100000205941 [0,0,1,1,0,0|1,0,0]=3 4329 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3csnn3 270004a_100016989578_100000738508 [0,0,1,1,0,0|2,0,0]=4 4330 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ncc[nH]3 207a_100016989578_100000743867 [0,0,1,1,0,0|2,0,0]=4 4331 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ncc[nH]3 2230a_100016989578_100016991755 [0,0,1,1,0,0|2,0,0]=4 4332 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ncc[nH]3 34a_100016989578_100016991755 [0,0,1,1,0,0|2,0,0]=4 4333 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ncco3 2230a_100016989578_103436540062 [0,0,1,1,0,0|2,0,0]=4 4334 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ncco3 270004a_100016989578_100000064290 [0,0,1,1,0,0|2,0,0]=4 4335 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ncco3 34a_100016989578_103436540062 [0,0,1,1,0,0|2,0,0]=4 4336 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3nccs3 207a_100016989578_100000750902 [0,0,1,1,0,0|2,0,0]=4 4337 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3nccs3 2230a_100016989578_100015184050 [0,0,1,1,0,0|2,0,0]=4 4338 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3nccs3 270004a_100016989578_100000750902 [0,0,1,1,0,0|2,0,0]=4 4339 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3nccs3 34a_100016989578_100015184050 [0,0,1,1,0,0|2,0,0]=4 4340 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3ncon3 34a_100016989578_100000233494 [0,0,1,1,0,0|2,0,0]=4 4341 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCn3cncn3 2230a_100016989578_200020645497 [0,0,1,1,0,0|1,0,1]=4 4342 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCn3cncn3 34a_100016989578_200020645497 [0,0,1,1,0,0|1,0,1]=4 4343 B18R3.3347 c1ccc2c(c1)OCC2NCc3c[nH]cn3 2230a_100000747519_100000707719 [0,0,1,1,0,0|1,0,0]=3 4344 B18R3.3347 c1ccc2c(c1)OCC2NCc3cocn3 270004a_100000747519_100000050382 [0,0,1,1,0,0|2,0,0]=4 4345 B18R3.3347 c1ccc2c(c1)OCC2NCc3cscn3 207a_100000747519_100000743575 [0,0,1,1,0,0|2,0,0]=4 4346 B18R3.3347 c1ccc2c(c1)OCC2NCc3cscn3 2230a_100000747519_100000205941 [0,0,1,1,0,0|2,0,0]=4 4347 B18R3.3347 c1ccc2c(c1)OCC2NCc3cscn3 270004a_100000747519_100000743575 [0,0,1,1,0,0|2,0,0]=4 4348 B18R3.3347 c1coc(c1)CNC2CCc3c2cccc3 2230a_100000185738_200000721974 [0,0,1,1,0,0|2,0,0]=4 4349 B18R3.3347 c1coc(c1)CN[C@H]2CCc3c2cccc3 207a_100016989578_100000186105 [0,0,1,1,0,0|2,0,0]=4 4350 B18R3.3347 c1coc(c1)CN[C@H]2CCc3c2cccc3 270004a_100016989578_100000186105 [0,0,1,1,0,0|2,0,0]=4 4351 B18R3.3347 c1csc(c1)CNC2CCc3c2cccc3 2230a_100000211653_200000721974 [0,0,1,1,0,0|2,0,0]=4 4352 B18R3.3347 c1csc(c1)CNC2CCc3c2cccc3 269862a_100000211653_100000212051 [0,0,1,1,0,0|2,0,0]=4 4353 B18R3.3347 c1csc(c1)CN[C@H]2CCc3c2cccc3 207a_100016989578_100000209959 [0,0,1,1,0,0|2,0,0]=4 4354 B18R3.3347 c1csc(c1)CN[C@H]2CCc3c2cccc3 270004a_100016989578_100000209959 [0,0,1,1,0,0|2,0,0]=4 4355 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3c[nH]cn3 2230a_100016998360_100000707719 [0,0,1,1,0,0|0,0,0]=2 4356 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3c[nH]cn3 269982a_100016998360_100000707719 [0,0,1,1,0,0|0,0,0]=2 4357 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3c[nH]cn3 34a_100016998360_100000707719 [0,0,1,1,0,0|0,0,0]=2 4358 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cc[nH]n3 270004a_100016998360_100000738523 [0,0,1,1,0,0|2,0,0]=4 4359 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccco3 270004a_100016998360_100000186105 [0,0,1,1,0,0|2,0,0]=4 4360 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cccs3 270004a_100016998360_100000209959 [0,0,1,1,0,0|2,0,0]=4 4361 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccoc3 270004a_100016998360_100011215517 [0,0,1,1,0,0|2,0,0]=4 4362 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccon3 2230a_100016998360_100000234950 [0,0,1,1,0,0|2,0,0]=4 4363 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccon3 269982a_100016998360_100000234950 [0,0,1,1,0,0|2,0,0]=4 4364 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccon3 34a_100016998360_100000234950 [0,0,1,1,0,0|2,0,0]=4 4365 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccsc3 2230a_100016998360_100011261437 [0,0,1,1,0,0|2,0,0]=4 4366 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccsc3 269982a_100016998360_100011233845 [0,0,1,1,0,0|2,0,0]=4 4367 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccsc3 270004a_100016998360_100000188534 [0,0,1,1,0,0|2,0,0]=4 4368 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ccsc3 34a_100016998360_100011261437 [0,0,1,1,0,0|2,0,0]=4 4369 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cn[nH]c3 270004a_100016998360_100016992096 [0,0,1,1,0,0|2,0,0]=4 4370 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cnco3 270004a_100016998360_100000064291 [0,0,1,1,0,0|1,0,1]=4 4371 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cncs3 2230a_100016998360_100015185245 [0,0,1,1,0,0|1,0,1]=4 4372 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cncs3 269982a_100016998360_100015185245 [0,0,1,1,0,0|1,0,1]=4 4373 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cncs3 270004a_100016998360_100000749870 [0,0,1,1,0,0|1,0,1]=4 4374 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cncs3 34a_100016998360_100015185245 [0,0,1,1,0,0|1,0,1]=4 4375 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cocn3 270004a_100016998360_100000050382 [0,0,1,1,0,0|1,0,0]=3 4376 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cscn3 2230a_100016998360_100000205941 [0,0,1,1,0,0|1,0,0]=3 4377 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cscn3 269982a_100016998360_100000205941 [0,0,1,1,0,0|1,0,0]=3 4378 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cscn3 270004a_100016998360_100000743575 [0,0,1,1,0,0|1,0,0]=3 4379 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3cscn3 34a_100016998360_100000205941 [0,0,1,1,0,0|1,0,0]=3 4380 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3csnn3 270004a_100016998360_100000738508 [0,0,1,1,0,0|2,0,0]=4 4381 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncc[nH]3 2230a_100016998360_100016991755 [0,0,1,1,0,0|2,0,0]=4 4382 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncc[nH]3 269982a_100016998360_100016991755 [0,0,1,1,0,0|2,0,0]=4 4383 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncc[nH]3 34a_100016998360_100016991755 [0,0,1,1,0,0|2,0,0]=4 4384 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncco3 2230a_100016998360_103436540062 [0,0,1,1,0,0|2,0,0]=4 4385 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncco3 269982a_100016998360_103436540062 [0,0,1,1,0,0|2,0,0]=4 4386 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncco3 270004a_100016998360_100000064290 [0,0,1,1,0,0|2,0,0]=4 4387 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncco3 34a_100016998360_103436540062 [0,0,1,1,0,0|2,0,0]=4 4388 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3nccs3 2230a_100016998360_100015184050 [0,0,1,1,0,0|2,0,0]=4 4389 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3nccs3 269982a_100016998360_100015184050 [0,0,1,1,0,0|2,0,0]=4 4390 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3nccs3 270004a_100016998360_100000750902 [0,0,1,1,0,0|2,0,0]=4 4391 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3nccs3 34a_100016998360_100015184050 [0,0,1,1,0,0|2,0,0]=4 4392 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncon3 269982a_100016998360_100000233494 [0,0,1,1,0,0|2,0,0]=4 4393 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cc3ncon3 34a_100016998360_100000233494 [0,0,1,1,0,0|2,0,0]=4 4394 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cn3cncn3 2230a_100016998360_200020645497 [0,0,1,1,0,0|1,0,1]=4 4395 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cn3cncn3 269982a_100016998360_200020645497 [0,0,1,1,0,0|1,0,1]=4 4396 B18R3.12783 c1ccc(cc1)C[C@H]2CN2Cn3cncn3 34a_100016998360_200020645497 [0,0,1,1,0,0|1,0,1]=4 4397 B18R3.12797 c1ccc(cc1)C2CCN2Cc3c[nH]cn3 2230a_100000739605_100000707719 [0,0,1,1,0,0|0,0,0]=2 4398 B18R3.12797 c1ccc(cc1)C2CCN2Cc3c[nH]cn3 269982a_100000739605_100000707719 [0,0,1,1,0,0|0,0,0]=2 4399 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cc[nH]n3 270004a_100000739605_100000738523 [0,0,1,1,0,0|2,0,0]=4 4400 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ccco3 270004a_100000739605_100000186105 [0,0,1,1,0,0|2,0,0]=4 4401 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cccs3 270004a_100000739605_100000209959 [0,0,1,1,0,0|2,0,0]=4 4402 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ccoc3 270004a_100000739605_100011215517 [0,0,1,1,0,0|2,0,0]=4 4403 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ccon3 2230a_100000739605_100000234950 [0,0,1,1,0,0|2,0,0]=4 4404 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ccon3 269982a_100000739605_100000234950 [0,0,1,1,0,0|2,0,0]=4 4405 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ccsc3 2230a_100000739605_100011261437 [0,0,1,1,0,0|2,0,0]=4 4406 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ccsc3 269982a_100000739605_100011233845 [0,0,1,1,0,0|2,0,0]=4 4407 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ccsc3 270004a_100000739605_100000188534 [0,0,1,1,0,0|2,0,0]=4 4408 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cn[nH]c3 270004a_100000739605_100016992096 [0,0,1,1,0,0|2,0,0]=4 4409 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cnco3 270004a_100000739605_100000064291 [0,0,1,1,0,0|1,0,1]=4 4410 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cncs3 2230a_100000739605_100015185245 [0,0,1,1,0,0|1,0,1]=4 4411 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cncs3 269982a_100000739605_100015185245 [0,0,1,1,0,0|1,0,1]=4 4412 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cncs3 270004a_100000739605_100000749870 [0,0,1,1,0,0|1,0,1]=4 4413 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cocn3 270004a_100000739605_100000050382 [0,0,1,1,0,0|1,0,0]=3 4414 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cscn3 2230a_100000739605_100000205941 [0,0,1,1,0,0|1,0,0]=3 4415 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cscn3 269982a_100000739605_100000205941 [0,0,1,1,0,0|1,0,0]=3 4416 B18R3.12797 c1ccc(cc1)C2CCN2Cc3cscn3 270004a_100000739605_100000743575 [0,0,1,1,0,0|1,0,0]=3 4417 B18R3.12797 c1ccc(cc1)C2CCN2Cc3csnn3 270004a_100000739605_100000738508 [0,0,1,1,0,0|2,0,0]=4 4418 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ncc[nH]3 2230a_100000739605_100016991755 [0,0,1,1,0,0|2,0,0]=4 4419 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ncc[nH]3 269982a_100000739605_100016991755 [0,0,1,1,0,0|2,0,0]=4 4420 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ncco3 2230a_100000739605_103436540062 [0,0,1,1,0,0|2,0,0]=4 4421 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ncco3 269982a_100000739605_103436540062 [0,0,1,1,0,0|2,0,0]=4 4422 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ncco3 270004a_100000739605_100000064290 [0,0,1,1,0,0|2,0,0]=4 4423 B18R3.12797 c1ccc(cc1)C2CCN2Cc3nccs3 2230a_100000739605_100015184050 [0,0,1,1,0,0|2,0,0]=4 4424 B18R3.12797 c1ccc(cc1)C2CCN2Cc3nccs3 269982a_100000739605_100015184050 [0,0,1,1,0,0|2,0,0]=4 4425 B18R3.12797 c1ccc(cc1)C2CCN2Cc3nccs3 270004a_100000739605_100000750902 [0,0,1,1,0,0|2,0,0]=4 4426 B18R3.12797 c1ccc(cc1)C2CCN2Cc3ncon3 269982a_100000739605_100000233494 [0,0,1,1,0,0|2,0,0]=4 4427 B18R3.12797 c1ccc(cc1)C2CCN2Cn3cncn3 2230a_100000739605_200020645497 [0,0,1,1,0,0|1,0,1]=4 4428 B18R3.12797 c1ccc(cc1)C2CCN2Cn3cncn3 269982a_100000739605_200020645497 [0,0,1,1,0,0|1,0,1]=4 4429 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3c[nH]cn3 2230a_100020588832_100000707719 [0,0,1,1,0,0|0,0,0]=2 4430 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3c[nH]cn3 34a_100020588832_100000707719 [0,0,1,1,0,0|0,0,0]=2 4431 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cc[nH]n3 207a_100020588832_100000738523 [0,0,1,1,0,0|2,0,0]=4 4432 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ccco3 207a_100020588832_100000186105 [0,0,1,1,0,0|2,0,0]=4 4433 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cccs3 207a_100020588832_100000209959 [0,0,1,1,0,0|2,0,0]=4 4434 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ccoc3 207a_100020588832_100011215517 [0,0,1,1,0,0|2,0,0]=4 4435 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ccon3 2230a_100020588832_100000234950 [0,0,1,1,0,0|2,0,0]=4 4436 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ccon3 34a_100020588832_100000234950 [0,0,1,1,0,0|2,0,0]=4 4437 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ccsc3 207a_100020588832_100000188534 [0,0,1,1,0,0|2,0,0]=4 4438 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ccsc3 2230a_100020588832_100011261437 [0,0,1,1,0,0|2,0,0]=4 4439 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ccsc3 34a_100020588832_100011261437 [0,0,1,1,0,0|2,0,0]=4 4440 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cn[nH]c3 207a_100020588832_100016992096 [0,0,1,1,0,0|2,0,0]=4 4441 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cnc[nH]3 207a_100020588832_100000742939 [0,0,1,1,0,0|0,0,2]=4 4442 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cncs3 207a_100020588832_100000749870 [0,0,1,1,0,0|1,0,1]=4 4443 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cncs3 2230a_100020588832_100015185245 [0,0,1,1,0,0|1,0,1]=4 4444 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cncs3 34a_100020588832_100015185245 [0,0,1,1,0,0|1,0,1]=4 4445 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cscn3 207a_100020588832_100000743575 [0,0,1,1,0,0|1,0,0]=3 4446 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cscn3 2230a_100020588832_100000205941 [0,0,1,1,0,0|1,0,0]=3 4447 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3cscn3 34a_100020588832_100000205941 [0,0,1,1,0,0|1,0,0]=3 4448 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ncc[nH]3 207a_100020588832_100000743867 [0,0,1,1,0,0|2,0,0]=4 4449 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ncc[nH]3 2230a_100020588832_100016991755 [0,0,1,1,0,0|2,0,0]=4 4450 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ncc[nH]3 34a_100020588832_100016991755 [0,0,1,1,0,0|2,0,0]=4 4451 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ncco3 2230a_100020588832_103436540062 [0,0,1,1,0,0|2,0,0]=4 4452 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ncco3 34a_100020588832_103436540062 [0,0,1,1,0,0|2,0,0]=4 4453 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3nccs3 207a_100020588832_100000750902 [0,0,1,1,0,0|2,0,0]=4 4454 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3nccs3 2230a_100020588832_100015184050 [0,0,1,1,0,0|2,0,0]=4 4455 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3nccs3 34a_100020588832_100015184050 [0,0,1,1,0,0|2,0,0]=4 4456 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCc3ncon3 34a_100020588832_100000233494 [0,0,1,1,0,0|2,0,0]=4 4457 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCn3cncn3 2230a_100020588832_200020645497 [0,0,1,1,0,0|1,0,1]=4 4458 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCn3cncn3 34a_100020588832_200020645497 [0,0,1,1,0,0|1,0,1]=4 4459 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3c[nH]cn3 2230a_100000084147_100000707719 [0,0,1,1,0,0|1,0,0]=3 4460 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3c[nH]cn3 34a_100000084147_100000707719 [0,0,1,1,0,0|1,0,0]=3 4461 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3cscn3 207a_100000084147_100000743575 [0,0,1,1,0,0|2,0,0]=4 4462 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3cscn3 2230a_100000084147_100000205941 [0,0,1,1,0,0|2,0,0]=4 4463 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3cscn3 270302a_100000084147_100000743575 [0,0,1,1,0,0|2,0,0]=4 4464 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3cscn3 34a_100000084147_100000205941 [0,0,1,1,0,0|2,0,0]=4 4465 B18R3.12721 c1cc(c2c(c1)OCO2)NCc3c[nH]cn3 2230a_100000699912_100000707719 [0,0,1,1,0,0|2,0,0]=4 4466 B18R3.12721 c1cc(c2c(c1)OCO2)NCc3c[nH]cn3 34a_100000699912_100000707719 [0,0,1,1,0,0|2,0,0]=4 4467 B18R3.12721 c1cc(c2c(n1)CCC2)NCc3c[nH]cn3 27a_100000758547_100000102697 [0,0,1,1,0,0|1,0,0]=3 4468 B18R3.12721 c1cc(c2c(n1)CCC2)NCc3c[nH]nn3 27a_100020620823_100000102697 [0,0,1,1,0,0|2,0,0]=4 4469 B18R3.12721 c1cc(c2c(n1)CCC2)NCc3cocn3 27a_100015188801_100000102697 [0,0,1,1,0,0|2,0,0]=4 4470 B18R3.12721 c1cc(c2c(n1)CCC2)NCc3cscn3 27a_100015185402_100000102697 [0,0,1,1,0,0|2,0,0]=4 4471 B18R3.12721 c1cc(c2c(n1)CCC2)SCc3c[nH]cn3 62a_100000102697_100000707719 [0,0,1,1,0,0|2,0,0]=4 4472 B18R3.12721 c1cc(c2c(n1)CCC2)SCc3c[nH]cn3 62a_100000707719_100000102697 [0,0,1,1,0,0|2,0,0]=4 4473 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)CCC2 2230a_100000043548_100000707719 [0,0,1,1,0,0|0,0,0]=2 4474 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)CCC2 34a_100000043548_100000707719 [0,0,1,1,0,0|0,0,0]=2 4475 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)COC2 2230a_100000125316_100000707719 [0,0,1,1,0,0|1,0,0]=3 4476 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)COC2 34a_100000125316_100000707719 [0,0,1,1,0,0|1,0,0]=3 4477 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)OCC2 2230a_100000102157_100000707719 [0,0,1,1,0,0|1,0,0]=3 4478 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)OCC2 34a_100000102157_100000707719 [0,0,1,1,0,0|1,0,0]=3 4479 B18R3.12721 c1cc2c(c(c1)NCc3cc[nH]n3)CCC2 207a_100000043548_100000738523 [0,0,1,1,0,0|2,0,0]=4 4480 B18R3.12721 c1cc2c(c(c1)NCc3ccoc3)CCC2 207a_100000043548_100011215517 [0,0,1,1,0,0|2,0,0]=4 4481 B18R3.12721 c1cc2c(c(c1)NCc3ccon3)CCC2 2230a_100000043548_100000234950 [0,0,1,1,0,0|2,0,0]=4 4482 B18R3.12721 c1cc2c(c(c1)NCc3ccon3)CCC2 34a_100000043548_100000234950 [0,0,1,1,0,0|2,0,0]=4 4483 B18R3.12721 c1cc2c(c(c1)NCc3ccsc3)CCC2 207a_100000043548_100000188534 [0,0,1,1,0,0|2,0,0]=4 4484 B18R3.12721 c1cc2c(c(c1)NCc3ccsc3)CCC2 2230a_100000043548_100011261437 [0,0,1,1,0,0|2,0,0]=4 4485 B18R3.12721 c1cc2c(c(c1)NCc3ccsc3)CCC2 270302a_100000043548_100000188534 [0,0,1,1,0,0|2,0,0]=4 4486 B18R3.12721 c1cc2c(c(c1)NCc3ccsc3)CCC2 34a_100000043548_100011261437 [0,0,1,1,0,0|2,0,0]=4 4487 B18R3.12721 c1cc2c(c(c1)NCc3cn[nH]c3)CCC2 207a_100000043548_100016992096 [0,0,1,1,0,0|2,0,0]=4 4488 B18R3.12721 c1cc2c(c(c1)NCc3cn[nH]c3)CCC2 270302a_100000043548_100016992096 [0,0,1,1,0,0|2,0,0]=4 4489 B18R3.12721 c1cc2c(c(c1)NCc3cnc[nH]3)CCC2 207a_100000043548_100000742939 [0,0,1,1,0,0|0,0,2]=4 4490 B18R3.12721 c1cc2c(c(c1)NCc3cncs3)CCC2 207a_100000043548_100000749870 [0,0,1,1,0,0|1,0,1]=4 4491 B18R3.12721 c1cc2c(c(c1)NCc3cncs3)CCC2 2230a_100000043548_100015185245 [0,0,1,1,0,0|1,0,1]=4 4492 B18R3.12721 c1cc2c(c(c1)NCc3cncs3)CCC2 270302a_100000043548_100000749870 [0,0,1,1,0,0|1,0,1]=4 4493 B18R3.12721 c1cc2c(c(c1)NCc3cncs3)CCC2 34a_100000043548_100015185245 [0,0,1,1,0,0|1,0,1]=4 4494 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 207a_100000043548_100000743575 [0,0,1,1,0,0|1,0,0]=3 4495 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 2230a_100000043548_100000205941 [0,0,1,1,0,0|1,0,0]=3 4496 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 270302a_100000043548_100000743575 [0,0,1,1,0,0|1,0,0]=3 4497 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 34a_100000043548_100000205941 [0,0,1,1,0,0|1,0,0]=3 4498 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)COC2 207a_100000125316_100000743575 [0,0,1,1,0,0|2,0,0]=4 4499 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)COC2 2230a_100000125316_100000205941 [0,0,1,1,0,0|2,0,0]=4 4500 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)COC2 270302a_100000125316_100000743575 [0,0,1,1,0,0|2,0,0]=4 4501 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)COC2 34a_100000125316_100000205941 [0,0,1,1,0,0|2,0,0]=4 4502 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)OCC2 207a_100000102157_100000743575 [0,0,1,1,0,0|2,0,0]=4 4503 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)OCC2 2230a_100000102157_100000205941 [0,0,1,1,0,0|2,0,0]=4 4504 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)OCC2 270302a_100000102157_100000743575 [0,0,1,1,0,0|2,0,0]=4 4505 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)OCC2 34a_100000102157_100000205941 [0,0,1,1,0,0|2,0,0]=4 4506 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCC2 207a_100000043548_100000743867 [0,0,1,1,0,0|2,0,0]=4 4507 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCC2 2230a_100000043548_100016991755 [0,0,1,1,0,0|2,0,0]=4 4508 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCC2 34a_100000043548_100016991755 [0,0,1,1,0,0|2,0,0]=4 4509 B18R3.12721 c1cc2c(c(c1)NCc3ncco3)CCC2 2230a_100000043548_103436540062 [0,0,1,1,0,0|2,0,0]=4 4510 B18R3.12721 c1cc2c(c(c1)NCc3ncco3)CCC2 34a_100000043548_103436540062 [0,0,1,1,0,0|2,0,0]=4 4511 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 207a_100000043548_100000750902 [0,0,1,1,0,0|2,0,0]=4 4512 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 2230a_100000043548_100015184050 [0,0,1,1,0,0|2,0,0]=4 4513 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 270302a_100000043548_100000750902 [0,0,1,1,0,0|2,0,0]=4 4514 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 34a_100000043548_100015184050 [0,0,1,1,0,0|2,0,0]=4 4515 B18R3.12721 c1cc2c(c(c1)NCc3ncon3)CCC2 34a_100000043548_100000233494 [0,0,1,1,0,0|2,0,0]=4 4516 B18R3.12721 c1cc2c(c(c1)NCn3cncn3)CCC2 2230a_100000043548_200020645497 [0,0,1,1,0,0|1,0,1]=4 4517 B18R3.12721 c1cc2c(c(c1)NCn3cncn3)CCC2 34a_100000043548_200020645497 [0,0,1,1,0,0|1,0,1]=4 4518 B18R3.12721 c1cc2c(c(c1)OCc3c[nH]cn3)CCC2 34a_100000074356_100000707719 [0,0,1,1,0,0|1,0,0]=3 4519 B18R3.12721 c1cc2c(c(c1)OCc3c[nH]cn3)CCN2 34a_100000703684_100000707719 [0,0,1,1,0,0|2,0,0]=4 4520 B18R3.12721 c1cc2c(c(c1)OCc3c[nH]cn3)CCO2 34a_100000090053_100000707719 [0,0,1,1,0,0|2,0,0]=4 4521 B18R3.12721 c1cc2c(c(c1)OCc3c[nH]cn3)CNC2 34a_100015191671_100000707719 [0,0,1,1,0,0|2,0,0]=4 4522 B18R3.12721 c1cc2c(c(c1)OCc3cscn3)CCC2 34a_100000074356_100000205941 [0,0,1,1,0,0|2,0,0]=4 4523 B18R3.12721 c1cc2c(c(c1)OCc3cscn3)CCC2 7a_100000074356_100000205941 [0,0,1,1,0,0|2,0,0]=4 4524 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CCC2 62a_100000707719_100010343934 [0,0,1,1,0,0|1,0,0]=3 4525 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CCC2 62a_100010343934_100000707719 [0,0,1,1,0,0|1,0,0]=3 4526 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CCN2 62a_100000707719_100009817896 [0,0,1,1,0,0|2,0,0]=4 4527 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CCN2 62a_100009817896_100000707719 [0,0,1,1,0,0|2,0,0]=4 4528 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CCO2 62a_100000707719_100009819624 [0,0,1,1,0,0|2,0,0]=4 4529 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CCO2 62a_100009819624_100000707719 [0,0,1,1,0,0|2,0,0]=4 4530 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CNC2 62a_100000703859_100000707719 [0,0,1,1,0,0|2,0,0]=4 4531 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)CNC2 62a_100000707719_100000703859 [0,0,1,1,0,0|2,0,0]=4 4532 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)COC2 62a_100000707719_100010384907 [0,0,1,1,0,0|2,0,0]=4 4533 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)COC2 62a_100010384907_100000707719 [0,0,1,1,0,0|2,0,0]=4 4534 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)NCC2 62a_100000707719_100016995435 [0,0,1,1,0,0|2,0,0]=4 4535 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)NCC2 62a_100016995435_100000707719 [0,0,1,1,0,0|2,0,0]=4 4536 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)OCC2 62a_100000707719_100009818991 [0,0,1,1,0,0|2,0,0]=4 4537 B18R3.12721 c1cc2c(c(c1)SCc3c[nH]cn3)OCC2 62a_100009818991_100000707719 [0,0,1,1,0,0|2,0,0]=4 4538 B18R3.12721 c1cc2c(c(c1)SCc3cscn3)CCC2 62a_100000205941_100010343934 [0,0,1,1,0,0|2,0,0]=4 4539 B18R3.12721 c1cc2c(c(c1)SCc3cscn3)CCC2 62a_100010343934_100000205941 [0,0,1,1,0,0|2,0,0]=4 4540 B18R3.12721 c1coc(c1)CNc2cccc3c2CCC3 207a_100000043548_100000186105 [0,0,1,1,0,0|2,0,0]=4 4541 B18R3.12721 c1coc(c1)CNc2cccc3c2CCC3 270302a_100000043548_100000186105 [0,0,1,1,0,0|2,0,0]=4 4542 B18R3.12721 c1csc(c1)CNc2cccc3c2CCC3 207a_100000043548_100000209959 [0,0,1,1,0,0|2,0,0]=4 4543 B18R3.12721 c1csc(c1)CNc2cccc3c2CCC3 270302a_100000043548_100000209959 [0,0,1,1,0,0|2,0,0]=4 4544 B18R3.12721 c1nc2c(c(n1)NCc3c[nH]cn3)CCC2 27a_100000758547_100000750143 [0,0,1,1,0,0|2,0,0]=4 4545 B18R3.36582 c1ccc(c(c1)NCc2c[nH]cn2)C3CC3 34a_100011236190_100000707719 [0,0,1,1,0,0|0,0,0]=2 4546 B18R3.36582 c1ccc(c(c1)NCc2cc[nH]n2)C3CC3 207a_100011236190_100000738523 [0,0,1,1,0,0|2,0,0]=4 4547 B18R3.36582 c1ccc(c(c1)NCc2ccoc2)C3CC3 207a_100011236190_100011215517 [0,0,1,1,0,0|2,0,0]=4 4548 B18R3.36582 c1ccc(c(c1)NCc2ccon2)C3CC3 34a_100011236190_100000234950 [0,0,1,1,0,0|2,0,0]=4 4549 B18R3.36582 c1ccc(c(c1)NCc2ccsc2)C3CC3 207a_100011236190_100000188534 [0,0,1,1,0,0|2,0,0]=4 4550 B18R3.36582 c1ccc(c(c1)NCc2ccsc2)C3CC3 270302a_100011236190_100000188534 [0,0,1,1,0,0|2,0,0]=4 4551 B18R3.36582 c1ccc(c(c1)NCc2ccsc2)C3CC3 34a_100011236190_100011261437 [0,0,1,1,0,0|2,0,0]=4 4552 B18R3.36582 c1ccc(c(c1)NCc2cn[nH]c2)C3CC3 207a_100011236190_100016992096 [0,0,1,1,0,0|2,0,0]=4 4553 B18R3.36582 c1ccc(c(c1)NCc2cn[nH]c2)C3CC3 270302a_100011236190_100016992096 [0,0,1,1,0,0|2,0,0]=4 4554 B18R3.36582 c1ccc(c(c1)NCc2cnc[nH]2)C3CC3 207a_100011236190_100000742939 [0,0,1,1,0,0|0,0,2]=4 4555 B18R3.36582 c1ccc(c(c1)NCc2cncs2)C3CC3 207a_100011236190_100000749870 [0,0,1,1,0,0|1,0,1]=4 4556 B18R3.36582 c1ccc(c(c1)NCc2cncs2)C3CC3 270302a_100011236190_100000749870 [0,0,1,1,0,0|1,0,1]=4 4557 B18R3.36582 c1ccc(c(c1)NCc2cncs2)C3CC3 34a_100011236190_100015185245 [0,0,1,1,0,0|1,0,1]=4 4558 B18R3.36582 c1ccc(c(c1)NCc2cscn2)C3CC3 207a_100011236190_100000743575 [0,0,1,1,0,0|1,0,0]=3 4559 B18R3.36582 c1ccc(c(c1)NCc2cscn2)C3CC3 270302a_100011236190_100000743575 [0,0,1,1,0,0|1,0,0]=3 4560 B18R3.36582 c1ccc(c(c1)NCc2cscn2)C3CC3 34a_100011236190_100000205941 [0,0,1,1,0,0|1,0,0]=3 4561 B18R3.36582 c1ccc(c(c1)NCc2ncc[nH]2)C3CC3 207a_100011236190_100000743867 [0,0,1,1,0,0|2,0,0]=4 4562 B18R3.36582 c1ccc(c(c1)NCc2ncc[nH]2)C3CC3 34a_100011236190_100016991755 [0,0,1,1,0,0|2,0,0]=4 4563 B18R3.36582 c1ccc(c(c1)NCc2ncco2)C3CC3 34a_100011236190_103436540062 [0,0,1,1,0,0|2,0,0]=4 4564 B18R3.36582 c1ccc(c(c1)NCc2nccs2)C3CC3 207a_100011236190_100000750902 [0,0,1,1,0,0|2,0,0]=4 4565 B18R3.36582 c1ccc(c(c1)NCc2nccs2)C3CC3 270302a_100011236190_100000750902 [0,0,1,1,0,0|2,0,0]=4 4566 B18R3.36582 c1ccc(c(c1)NCc2nccs2)C3CC3 34a_100011236190_100015184050 [0,0,1,1,0,0|2,0,0]=4 4567 B18R3.36582 c1ccc(c(c1)NCc2ncon2)C3CC3 34a_100011236190_100000233494 [0,0,1,1,0,0|2,0,0]=4 4568 B18R3.36582 c1ccc(c(c1)NCn2cncn2)C3CC3 34a_100011236190_200020645497 [0,0,1,1,0,0|1,0,1]=4 4569 B18R3.36582 c1ccc(c(c1)SCc2c[nH]cn2)C3CC3 62a_100000707719_100009819954 [0,0,1,1,0,0|1,0,0]=3 4570 B18R3.36582 c1ccc(c(c1)SCc2c[nH]cn2)C3CC3 62a_100009819954_100000707719 [0,0,1,1,0,0|1,0,0]=3 4571 B18R3.36582 c1ccc(c(c1)SCc2cscn2)C3CC3 62a_100000205941_100009819954 [0,0,1,1,0,0|2,0,0]=4 4572 B18R3.36582 c1ccc(c(c1)SCc2cscn2)C3CC3 62a_100009819954_100000205941 [0,0,1,1,0,0|2,0,0]=4 4573 B18R3.36582 c1cnc(c(c1)C2CC2)SCc3c[nH]cn3 62a_100000707719_100009851976 [0,0,1,1,0,0|2,0,0]=4 4574 B18R3.36582 c1cnc(c(c1)C2CC2)SCc3c[nH]cn3 62a_200009850273_100000707719 [0,0,1,1,0,0|2,0,0]=4 4575 B18R3.36582 c1coc(c1)CNc2ccccc2C3CC3 207a_100011236190_100000186105 [0,0,1,1,0,0|2,0,0]=4 4576 B18R3.36582 c1coc(c1)CNc2ccccc2C3CC3 270302a_100011236190_100000186105 [0,0,1,1,0,0|2,0,0]=4 4577 B18R3.36582 c1csc(c1)CNc2ccccc2C3CC3 207a_100011236190_100000209959 [0,0,1,1,0,0|2,0,0]=4 4578 B18R3.36582 c1csc(c1)CNc2ccccc2C3CC3 270302a_100011236190_100000209959 [0,0,1,1,0,0|2,0,0]=4 4579 B18R3.36582 c1ncc(c(n1)C2CC2)NCc3c[nH]cn3 27a_100000758547_200009889426 [0,0,1,1,0,0|2,0,0]=4 4580 B16R2.100 CCCN(c1ccccc1)c2ncns2 27a_200011218496_100000693119 [0,0,1,0,1,0|1,0,1]=4 4581 B16R2.2255 c1ccn(c1)CCCNCc2cscn2 2230a_100015185402_200009814367 [0,0,1,0,1,0|2,0,0]=4 4582 B16R2.2255 c1ccn(c1)CCCOCc2c[nH]cn2 34a_100000179399_100000707719 [0,0,1,0,1,0|2,0,0]=4 4583 B16R2.2255 c1ccn(c1)CCCSCc2c[nH]cn2 62a_100000707719_200009814367 [0,0,1,0,1,0|2,0,0]=4 4584 B16R2.2255 c1ccn(c1)CCCSCc2c[nH]cn2 62a_200009814367_100000707719 [0,0,1,0,1,0|2,0,0]=4 4585 B16R2.2255 c1csc(c1)CCCNCc2cscn2 2230a_100015185402_100010992444 [0,0,1,0,1,0|2,0,0]=4 4586 B16R2.2255 c1csc(c1)CCCOCc2c[nH]cn2 34a_100011713143_100000707719 [0,0,1,0,1,0|2,0,0]=4 4587 B16R2.2255 c1csc(c1)CCCSCc2c[nH]cn2 62a_100000707719_100010992444 [0,0,1,0,1,0|2,0,0]=4 4588 B16R2.2255 c1csc(c1)CCCSCc2c[nH]cn2 62a_100010992444_100000707719 [0,0,1,0,1,0|2,0,0]=4 4589 B16R2.2255 c1nc(c[nH]1)COCCCc2ccsc2 34a_200000699776_100000707719 [0,0,1,0,1,0|2,0,0]=4 4590 B16R2.2257 c1cc(ccn1)CCNCc2cocn2 270004a_100000742849_100000050382 [0,0,1,0,1,0|2,0,0]=4 4591 B16R2.2257 c1cc(ccn1)CCNCc2cscn2 207a_100000742849_100000743575 [0,0,1,0,1,0|2,0,0]=4 4592 B16R2.2257 c1cc(ccn1)CCNCc2cscn2 2230a_100015185402_100000723409 [0,0,1,0,1,0|2,0,0]=4 4593 B16R2.2257 c1cc(ccn1)CCNCc2cscn2 270004a_100000742849_100000743575 [0,0,1,0,1,0|2,0,0]=4 4594 B16R2.2257 c1cc(ccn1)CCOCc2c[nH]cn2 34a_100011216225_100000707719 [0,0,1,0,1,0|2,0,0]=4 4595 B16R2.2257 c1cc(ccn1)CCSCc2c[nH]cn2 62a_100000707719_100000723409 [0,0,1,0,1,0|2,0,0]=4 4596 B16R2.2257 c1cc(ccn1)CCSCc2c[nH]cn2 62a_100000723409_100000707719 [0,0,1,0,1,0|2,0,0]=4 4597 B16R2.2257 c1cc(ccn1)CSCCc2c[nH]cn2 62a_100015193705_100020628418 [0,0,1,0,1,0|2,0,0]=4 4598 B16R2.2257 c1cc(ccn1)CSCCc2c[nH]cn2 62a_100020628418_100015193705 [0,0,1,0,1,0|2,0,0]=4 4599 B16R2.2257 c1ccc(cc1)CCCNc2ncns2 27a_100000211184_100000693119 [0,0,1,0,1,0|1,0,1]=4 4600 B16R2.2257 c1ccc(cc1)CCCSc2c[nH]cn2 62a_100000211621_100000756875 [0,0,1,0,1,0|1,0,0]=3 4601 B16R2.2257 c1ccc(cc1)CCCSc2c[nH]cn2 62a_100000756875_100000211621 [0,0,1,0,1,0|1,0,0]=3 4602 B16R2.2257 c1ccc(cc1)CCCSc2c[nH]nn2 62a_100000211621_100009819707 [0,0,1,0,1,0|2,0,0]=4 4603 B16R2.2257 c1ccc(cc1)CCCSc2c[nH]nn2 62a_100009819707_100000211621 [0,0,1,0,1,0|2,0,0]=4 4604 B16R2.2257 c1ccc(cc1)CCCSc2cscn2 62a_100000211621_100000751502 [0,0,1,0,1,0|2,0,0]=4 4605 B16R2.2257 c1ccc(cc1)CCCSc2cscn2 62a_100000751502_100000211621 [0,0,1,0,1,0|2,0,0]=4 4606 B16R2.2257 c1ccc(cc1)CCCSc2nc[nH]n2 62a_100000211621_100000761765 [0,0,1,0,1,0|2,0,0]=4 4607 B16R2.2257 c1ccc(cc1)CCCSc2nc[nH]n2 62a_100000761765_100000211621 [0,0,1,0,1,0|2,0,0]=4 4608 B16R2.2257 c1ccc(cc1)CCNCc2c[nH]cn2 2230a_100000106460_100000707719 [0,0,1,0,1,0|0,0,0]=2 4609 B16R2.2257 c1ccc(cc1)CCNCc2c[nH]cn2 34a_100000106460_100000707719 [0,0,1,0,1,0|0,0,0]=2 4610 B16R2.2257 c1ccc(cc1)CCNCc2cc[nH]n2 207a_100000106460_100000738523 [0,0,1,0,1,0|2,0,0]=4 4611 B16R2.2257 c1ccc(cc1)CCNCc2cc[nH]n2 270004a_100000106460_100000738523 [0,0,1,0,1,0|2,0,0]=4 4612 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 207a_100000106460_100000186105 [0,0,1,0,1,0|2,0,0]=4 4613 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 2230a_100000185738_100000765856 [0,0,1,0,1,0|2,0,0]=4 4614 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 270004a_100000106460_100000186105 [0,0,1,0,1,0|2,0,0]=4 4615 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 34a_100000185738_100000765856 [0,0,1,0,1,0|2,0,0]=4 4616 B16R2.2257 c1ccc(cc1)CCNCc2cccs2 207a_100000106460_100000209959 [0,0,1,0,1,0|2,0,0]=4 4617 B16R2.2257 c1ccc(cc1)CCNCc2cccs2 2230a_100000211653_100000765856 [0,0,1,0,1,0|2,0,0]=4 4618 B16R2.2257 c1ccc(cc1)CCNCc2cccs2 270004a_100000106460_100000209959 [0,0,1,0,1,0|2,0,0]=4 4619 B16R2.2257 c1ccc(cc1)CCNCc2ccoc2 207a_100000106460_100011215517 [0,0,1,0,1,0|2,0,0]=4 4620 B16R2.2257 c1ccc(cc1)CCNCc2ccoc2 2230a_100015206860_100000765856 [0,0,1,0,1,0|2,0,0]=4 4621 B16R2.2257 c1ccc(cc1)CCNCc2ccoc2 270004a_100000106460_100011215517 [0,0,1,0,1,0|2,0,0]=4 4622 B16R2.2257 c1ccc(cc1)CCNCc2ccoc2 34a_100015206860_100000765856 [0,0,1,0,1,0|2,0,0]=4 4623 B16R2.2257 c1ccc(cc1)CCNCc2ccon2 2230a_100000106460_100000234950 [0,0,1,0,1,0|2,0,0]=4 4624 B16R2.2257 c1ccc(cc1)CCNCc2ccon2 34a_100000106460_100000234950 [0,0,1,0,1,0|2,0,0]=4 4625 B16R2.2257 c1ccc(cc1)CCNCc2ccsc2 207a_100000106460_100000188534 [0,0,1,0,1,0|2,0,0]=4 4626 B16R2.2257 c1ccc(cc1)CCNCc2ccsc2 2230a_100000106460_100011261437 [0,0,1,0,1,0|2,0,0]=4 4627 B16R2.2257 c1ccc(cc1)CCNCc2ccsc2 2230a_100000186416_100000765856 [0,0,1,0,1,0|2,0,0]=4 4628 B16R2.2257 c1ccc(cc1)CCNCc2ccsc2 270004a_100000106460_100000188534 [0,0,1,0,1,0|2,0,0]=4 4629 B16R2.2257 c1ccc(cc1)CCNCc2ccsc2 34a_100000106460_100011261437 [0,0,1,0,1,0|2,0,0]=4 4630 B16R2.2257 c1ccc(cc1)CCNCc2ccsc2 34a_100000186416_100000765856 [0,0,1,0,1,0|2,0,0]=4 4631 B16R2.2257 c1ccc(cc1)CCNCc2cn[nH]c2 207a_100000106460_100016992096 [0,0,1,0,1,0|2,0,0]=4 4632 B16R2.2257 c1ccc(cc1)CCNCc2cn[nH]c2 270004a_100000106460_100016992096 [0,0,1,0,1,0|2,0,0]=4 4633 B16R2.2257 c1ccc(cc1)CCNCc2cnc[nH]2 207a_100000106460_100000742939 [0,0,1,0,1,0|0,0,2]=4 4634 B16R2.2257 c1ccc(cc1)CCNCc2cnco2 270004a_100000106460_100000064291 [0,0,1,0,1,0|1,0,1]=4 4635 B16R2.2257 c1ccc(cc1)CCNCc2cncs2 207a_100000106460_100000749870 [0,0,1,0,1,0|1,0,1]=4 4636 B16R2.2257 c1ccc(cc1)CCNCc2cncs2 2230a_100000106460_100015185245 [0,0,1,0,1,0|1,0,1]=4 4637 B16R2.2257 c1ccc(cc1)CCNCc2cncs2 2230a_100016987365_100000765856 [0,0,1,0,1,0|1,0,1]=4 4638 B16R2.2257 c1ccc(cc1)CCNCc2cncs2 270004a_100000106460_100000749870 [0,0,1,0,1,0|1,0,1]=4 4639 B16R2.2257 c1ccc(cc1)CCNCc2cncs2 34a_100000106460_100015185245 [0,0,1,0,1,0|1,0,1]=4 4640 B16R2.2257 c1ccc(cc1)CCNCc2cocn2 270004a_100000106460_100000050382 [0,0,1,0,1,0|1,0,0]=3 4641 B16R2.2257 c1ccc(cc1)CCNCc2cscn2 207a_100000106460_100000743575 [0,0,1,0,1,0|1,0,0]=3 4642 B16R2.2257 c1ccc(cc1)CCNCc2cscn2 2230a_100000106460_100000205941 [0,0,1,0,1,0|1,0,0]=3 4643 B16R2.2257 c1ccc(cc1)CCNCc2cscn2 2230a_100015185402_100000765856 [0,0,1,0,1,0|1,0,0]=3 4644 B16R2.2257 c1ccc(cc1)CCNCc2cscn2 270004a_100000106460_100000743575 [0,0,1,0,1,0|1,0,0]=3 4645 B16R2.2257 c1ccc(cc1)CCNCc2cscn2 34a_100000106460_100000205941 [0,0,1,0,1,0|1,0,0]=3 4646 B16R2.2257 c1ccc(cc1)CCNCc2csnn2 270004a_100000106460_100000738508 [0,0,1,0,1,0|2,0,0]=4 4647 B16R2.2257 c1ccc(cc1)CCNCc2ncc[nH]2 207a_100000106460_100000743867 [0,0,1,0,1,0|2,0,0]=4 4648 B16R2.2257 c1ccc(cc1)CCNCc2ncc[nH]2 2230a_100000106460_100016991755 [0,0,1,0,1,0|2,0,0]=4 4649 B16R2.2257 c1ccc(cc1)CCNCc2ncc[nH]2 34a_100000106460_100016991755 [0,0,1,0,1,0|2,0,0]=4 4650 B16R2.2257 c1ccc(cc1)CCNCc2ncco2 2230a_100000106460_103436540062 [0,0,1,0,1,0|2,0,0]=4 4651 B16R2.2257 c1ccc(cc1)CCNCc2ncco2 2230a_100016994969_100000765856 [0,0,1,0,1,0|2,0,0]=4 4652 B16R2.2257 c1ccc(cc1)CCNCc2ncco2 270004a_100000106460_100000064290 [0,0,1,0,1,0|2,0,0]=4 4653 B16R2.2257 c1ccc(cc1)CCNCc2ncco2 34a_100000106460_103436540062 [0,0,1,0,1,0|2,0,0]=4 4654 B16R2.2257 c1ccc(cc1)CCNCc2nccs2 207a_100000106460_100000750902 [0,0,1,0,1,0|2,0,0]=4 4655 B16R2.2257 c1ccc(cc1)CCNCc2nccs2 2230a_100000106460_100015184050 [0,0,1,0,1,0|2,0,0]=4 4656 B16R2.2257 c1ccc(cc1)CCNCc2nccs2 2230a_100000740555_100000765856 [0,0,1,0,1,0|2,0,0]=4 4657 B16R2.2257 c1ccc(cc1)CCNCc2nccs2 270004a_100000106460_100000750902 [0,0,1,0,1,0|2,0,0]=4 4658 B16R2.2257 c1ccc(cc1)CCNCc2nccs2 34a_100000106460_100015184050 [0,0,1,0,1,0|2,0,0]=4 4659 B16R2.2257 c1ccc(cc1)CCNCc2ncon2 34a_100000106460_100000233494 [0,0,1,0,1,0|2,0,0]=4 4660 B16R2.2257 c1ccc(cc1)CCNCn2cncn2 2230a_100000106460_200020645497 [0,0,1,0,1,0|1,0,1]=4 4661 B16R2.2257 c1ccc(cc1)CCNCn2cncn2 34a_100000106460_200020645497 [0,0,1,0,1,0|1,0,1]=4 4662 B16R2.2257 c1ccc(cc1)CCOCc2c[nH]cn2 34a_100000210268_100000707719 [0,0,1,0,1,0|1,0,0]=3 4663 B16R2.2257 c1ccc(cc1)CCOCc2cscn2 34a_100000210268_100000205941 [0,0,1,0,1,0|2,0,0]=4 4664 B16R2.2257 c1ccc(cc1)CCOCc2cscn2 7a_100000210268_100000205941 [0,0,1,0,1,0|2,0,0]=4 4665 B16R2.2257 c1ccc(cc1)CCSCc2c[nH]cn2 62a_100000707719_100011218657 [0,0,1,0,1,0|1,0,0]=3 4666 B16R2.2257 c1ccc(cc1)CCSCc2c[nH]cn2 62a_100000765856_100000707719 [0,0,1,0,1,0|1,0,0]=3 4667 B16R2.2257 c1ccc(cc1)CCSCc2cscn2 62a_100000205941_100011218657 [0,0,1,0,1,0|2,0,0]=4 4668 B16R2.2257 c1ccc(cc1)CCSCc2cscn2 62a_100000765856_100000205941 [0,0,1,0,1,0|2,0,0]=4 4669 B16R2.2257 c1ccc(cc1)CNCCc2c[nH]cn2 2230a_100015324214_100020628418 [0,0,1,0,1,0|1,0,0]=3 4670 B16R2.2257 c1ccc(cc1)CNCCc2c[nH]cn2 270004a_100000755092_100015611070 [0,0,1,0,1,0|1,0,0]=3 4671 B16R2.2257 c1ccc(cc1)COCCc2c[nH]cn2 7a_100000210790_100020628418 [0,0,1,0,1,0|1,0,0]=3 4672 B16R2.2257 c1ccc(cc1)COCSc2c[nH]cn2 62a_100000756875_100000763385 [0,0,1,0,1,0|2,0,0]=4 4673 B16R2.2257 c1ccc(cc1)COCSc2c[nH]cn2 62a_100000763385_100000756875 [0,0,1,0,1,0|2,0,0]=4 4674 B16R2.2257 c1ccc(cc1)CSCCc2c[nH]cn2 62a_100000211182_100020628418 [0,0,1,0,1,0|1,0,0]=3 4675 B16R2.2257 c1ccc(cc1)CSCCc2c[nH]cn2 62a_100020628418_100015291786 [0,0,1,0,1,0|1,0,0]=3 4676 B16R2.2257 c1ccc(cc1)CSCSc2c[nH]cn2 62a_100000756875_200011217039 [0,0,1,0,1,0|2,0,0]=4 4677 B16R2.2257 c1ccc(cc1)CSCSc2c[nH]cn2 62a_200011217039_100000756875 [0,0,1,0,1,0|2,0,0]=4 4678 B16R2.2257 c1ccc(cc1)OCCSc2c[nH]cn2 62a_100000184471_100000756875 [0,0,1,0,1,0|2,0,0]=4 4679 B16R2.2257 c1ccc(cc1)OCCSc2c[nH]cn2 62a_100000756875_100000184471 [0,0,1,0,1,0|2,0,0]=4 4680 B16R2.2257 c1ccc(cc1)SCCSc2c[nH]cn2 62a_100000246102_100000756875 [0,0,1,0,1,0|2,0,0]=4 4681 B16R2.2257 c1ccc(cc1)SCCSc2c[nH]cn2 62a_100000756875_100000246102 [0,0,1,0,1,0|2,0,0]=4 4682 B16R2.2257 c1ccc(cc1)SCNCc2cscn2 2230a_100015185402_100011218342 [0,0,1,0,1,0|2,0,0]=4 4683 B16R2.2257 c1ccc(cc1)SCSCc2c[nH]cn2 62a_100000707719_100011218342 [0,0,1,0,1,0|2,0,0]=4 4684 B16R2.2257 c1ccc(cc1)SCSCc2c[nH]cn2 62a_100011218342_100000707719 [0,0,1,0,1,0|2,0,0]=4 4685 B16R2.2257 c1ccc(nc1)CCNCc2cocn2 270004a_100000211156_100000050382 [0,0,1,0,1,0|2,0,0]=4 4686 B16R2.2257 c1ccc(nc1)CCNCc2cscn2 207a_100000211156_100000743575 [0,0,1,0,1,0|2,0,0]=4 4687 B16R2.2257 c1ccc(nc1)CCNCc2cscn2 2230a_100015185402_100015183660 [0,0,1,0,1,0|2,0,0]=4 4688 B16R2.2257 c1ccc(nc1)CCNCc2cscn2 270004a_100000211156_100000743575 [0,0,1,0,1,0|2,0,0]=4 4689 B16R2.2257 c1ccc(nc1)CCOCc2c[nH]cn2 34a_100000210271_100000707719 [0,0,1,0,1,0|2,0,0]=4 4690 B16R2.2257 c1ccc(nc1)CCSCc2c[nH]cn2 62a_100000707719_100015183660 [0,0,1,0,1,0|2,0,0]=4 4691 B16R2.2257 c1ccc(nc1)CCSCc2c[nH]cn2 62a_100015183660_100000707719 [0,0,1,0,1,0|2,0,0]=4 4692 B16R2.2257 c1ccc(nc1)CNCCc2c[nH]cn2 270004a_100000755092_100000209966 [0,0,1,0,1,0|2,0,0]=4 4693 B16R2.2257 c1ccc(nc1)CSCCc2c[nH]cn2 62a_100000721315_100020628418 [0,0,1,0,1,0|2,0,0]=4 4694 B16R2.2257 c1ccc(nc1)CSCCc2c[nH]cn2 62a_100020628418_100000721315 [0,0,1,0,1,0|2,0,0]=4 4695 B16R2.2257 c1cncc(c1)CCNCc2c[nH]cn2 2230a_100000736294_100000707719 [0,0,1,0,1,0|1,0,0]=3 4696 B16R2.2257 c1cncc(c1)CCNCc2cocn2 270004a_100000736294_100000050382 [0,0,1,0,1,0|2,0,0]=4 4697 B16R2.2257 c1cncc(c1)CCNCc2cscn2 207a_100000736294_100000743575 [0,0,1,0,1,0|2,0,0]=4 4698 B16R2.2257 c1cncc(c1)CCNCc2cscn2 2230a_100000736294_100000205941 [0,0,1,0,1,0|2,0,0]=4 4699 B16R2.2257 c1cncc(c1)CCNCc2cscn2 2230a_100015185402_200011713674 [0,0,1,0,1,0|2,0,0]=4 4700 B16R2.2257 c1cncc(c1)CCNCc2cscn2 270004a_100000736294_100000743575 [0,0,1,0,1,0|2,0,0]=4 4701 B16R2.2257 c1cncc(c1)CCOCc2c[nH]cn2 34a_100011217484_100000707719 [0,0,1,0,1,0|2,0,0]=4 4702 B16R2.2257 c1cncc(c1)CCSCc2c[nH]cn2 62a_100000707719_200011713674 [0,0,1,0,1,0|2,0,0]=4 4703 B16R2.2257 c1cncc(c1)CCSCc2c[nH]cn2 62a_200011713674_100000707719 [0,0,1,0,1,0|2,0,0]=4 4704 B16R2.2257 c1cncc(c1)CNCCc2c[nH]cn2 270004a_100000755092_100000209961 [0,0,1,0,1,0|2,0,0]=4 4705 B16R2.2257 c1cncc(c1)CSCCc2c[nH]cn2 62a_100000741622_100020628418 [0,0,1,0,1,0|2,0,0]=4 4706 B16R2.2257 c1cncc(c1)CSCCc2c[nH]cn2 62a_100020628418_100000741622 [0,0,1,0,1,0|2,0,0]=4 4707 B16R2.5483 CCN(c1ncns1)c2ccccc2C 27a_100000211084_100000693119 [0,0,1,0,1,0|1,0,1]=4 4708 B16R3.1777 c1ccc2c(c1)CC2Sc3c[nH]cn3 62a_100000756875_100009813401 [0,0,0,0,2,0|2,0,0]=4 4709 B16R3.1777 c1ccc2c(c1)CC2Sc3c[nH]cn3 62a_100009813401_100000756875 [0,0,0,0,2,0|2,0,0]=4 4710 B18R2.358 CCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210303 [0,0,1,0,0,1|2,0,0]=4 4711 B18R2.358 CCCN(Cc1ccccc1)c2ccccc2 2230a_200011218496_100015291786 [0,0,1,0,0,1|2,0,0]=4 4712 B18R2.358 CCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000210303 [0,0,1,0,0,1|2,0,0]=4 4713 B18R2.358 CCCN(Cc1ccccc1)c2ccccc2 269982a_200011218496_100000211182 [0,0,1,0,0,1|2,0,0]=4 4714 B18R2.358 CCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000210303 [0,0,1,0,0,1|2,0,0]=4 4715 B18R2.358 CCCN(Cc1ccccc1)c2ccccc2 34a_200011218496_100015291786 [0,0,1,0,0,1|2,0,0]=4 4716 B18R2.358 CCCN(Cc1ccccn1)c2ccccc2 2230a_200011218496_100000721315 [0,0,1,0,0,1|1,0,0]=3 4717 B18R2.358 CCCN(Cc1ccccn1)c2ccccc2 269982a_200011218496_100000721315 [0,0,1,0,0,1|1,0,0]=3 4718 B18R2.358 CCCN(Cc1ccccn1)c2ccccc2 34a_200011218496_100000721315 [0,0,1,0,0,1|1,0,0]=3 4719 B18R2.358 CCCN(Cc1cccnc1)c2ccccc2 2230a_200011218496_100000741622 [0,0,1,0,0,1|1,0,0]=3 4720 B18R2.358 CCCN(Cc1cccnc1)c2ccccc2 269982a_200011218496_100000733263 [0,0,1,0,0,1|1,0,0]=3 4721 B18R2.358 CCCN(Cc1cccnc1)c2ccccc2 34a_200011218496_100000733263 [0,0,1,0,0,1|1,0,0]=3 4722 B18R2.358 CCCN(Cc1cccnn1)c2ccccc2 2230a_200011218496_100016990269 [0,0,1,0,0,1|1,0,0]=3 4723 B18R2.358 CCCN(Cc1cccnn1)c2ccccc2 34a_200011218496_100016990269 [0,0,1,0,0,1|1,0,0]=3 4724 B18R2.358 CCCN(Cc1ccncc1)c2ccccc2 2230a_200011218496_100015193705 [0,0,1,0,0,1|1,0,1]=4 4725 B18R2.358 CCCN(Cc1ccncc1)c2ccccc2 269982a_200011218496_100015193705 [0,0,1,0,0,1|1,0,1]=4 4726 B18R2.358 CCCN(Cc1cnccn1)c2ccccc2 2230a_200011218496_100016995436 [0,0,1,0,0,1|0,0,1]=3 4727 B18R2.358 CCCN(Cc1cnccn1)c2ccccc2 269982a_200011218496_100016995436 [0,0,1,0,0,1|0,0,1]=3 4728 B18R2.358 CCCN(Cc1cnccn1)c2ccccc2 34a_200011218496_100016995436 [0,0,1,0,0,1|0,0,1]=3 4729 B18R2.358 CCCN(Cc1cncnc1)c2ccccc2 2230a_200011218496_100015196519 [0,0,1,0,0,1|0,0,1]=3 4730 B18R2.358 CCCN(Cc1cncnc1)c2ccccc2 269982a_200011218496_100016991940 [0,0,1,0,0,1|0,0,1]=3 4731 B18R2.358 CCCN(Cc1cncnc1)c2ccccc2 34a_200011218496_100015196519 [0,0,1,0,0,1|0,0,1]=3 4732 B18R2.358 CCCN(Cc1ncccn1)c2ccccc2 2230a_200011218496_100000703007 [0,0,1,0,0,1|1,0,0]=3 4733 B18R2.358 CCCN(Cc1ncccn1)c2ccccc2 269982a_200011218496_100000703007 [0,0,1,0,0,1|1,0,0]=3 4734 B18R2.358 CCCN(Cc1ncccn1)c2ccccc2 34a_200011218496_100000703007 [0,0,1,0,0,1|1,0,0]=3 4735 B18R2.358 OCCN(Cc1ccccn1)c2ccccc2 2230a_100000211345_100000721315 [0,0,1,0,0,1|2,0,0]=4 4736 B18R2.358 OCCN(Cc1ccccn1)c2ccccc2 269982a_100000211345_100000721315 [0,0,1,0,0,1|2,0,0]=4 4737 B18R2.358 OCCN(Cc1ccccn1)c2ccccc2 34a_100000211345_100000721315 [0,0,1,0,0,1|2,0,0]=4 4738 B18R2.358 OCCN(Cc1cccnc1)c2ccccc2 2230a_100000211345_100000741622 [0,0,1,0,0,1|2,0,0]=4 4739 B18R2.358 OCCN(Cc1cccnc1)c2ccccc2 269982a_100000211345_100000733263 [0,0,1,0,0,1|2,0,0]=4 4740 B18R2.358 OCCN(Cc1cccnc1)c2ccccc2 34a_100000211345_100000733263 [0,0,1,0,0,1|2,0,0]=4 4741 B18R2.358 OCCN(Cc1cccnn1)c2ccccc2 2230a_100000211345_100016990269 [0,0,1,0,0,1|2,0,0]=4 4742 B18R2.358 OCCN(Cc1cccnn1)c2ccccc2 34a_100000211345_100016990269 [0,0,1,0,0,1|2,0,0]=4 4743 B18R2.358 OCCN(Cc1cnccn1)c2ccccc2 2230a_100000211345_100016995436 [0,0,1,0,0,1|1,0,1]=4 4744 B18R2.358 OCCN(Cc1cnccn1)c2ccccc2 269982a_100000211345_100016995436 [0,0,1,0,0,1|1,0,1]=4 4745 B18R2.358 OCCN(Cc1cnccn1)c2ccccc2 34a_100000211345_100016995436 [0,0,1,0,0,1|1,0,1]=4 4746 B18R2.358 OCCN(Cc1cncnc1)c2ccccc2 2230a_100000211345_100015196519 [0,0,1,0,0,1|1,0,1]=4 4747 B18R2.358 OCCN(Cc1cncnc1)c2ccccc2 269982a_100000211345_100016991940 [0,0,1,0,0,1|1,0,1]=4 4748 B18R2.358 OCCN(Cc1cncnc1)c2ccccc2 34a_100000211345_100015196519 [0,0,1,0,0,1|1,0,1]=4 4749 B18R2.358 OCCN(Cc1ncccn1)c2ccccc2 2230a_100000211345_100000703007 [0,0,1,0,0,1|2,0,0]=4 4750 B18R2.358 OCCN(Cc1ncccn1)c2ccccc2 269982a_100000211345_100000703007 [0,0,1,0,0,1|2,0,0]=4 4751 B18R2.358 OCCN(Cc1ncccn1)c2ccccc2 34a_100000211345_100000703007 [0,0,1,0,0,1|2,0,0]=4 4752 B18R2.2114 C#CCN(Cc1ccccc1)Cc2c[nH]cn2 2230a_100000730907_100000707719 [0,0,1,0,0,1|0,0,2]=4 4753 B18R2.2114 C#CCN(Cc1ccccc1)Cc2c[nH]cn2 269982a_100000730907_100000707719 [0,0,1,0,0,1|0,0,2]=4 4754 B18R2.2114 C#CCN(Cc1ccccc1)Cc2c[nH]cn2 34a_100000730907_100000707719 [0,0,1,0,0,1|0,0,2]=4 4755 B18R2.2114 C=CCN(Cc1ccccc1)Cc2c[nH]cn2 2230a_100000196212_100000707719 [0,0,1,0,0,1|0,0,2]=4 4756 B18R2.2114 C=CCN(Cc1ccccc1)Cc2c[nH]cn2 269982a_100000196212_100000707719 [0,0,1,0,0,1|0,0,2]=4 4757 B18R2.2114 CCCN(Cc1ccccc1)Cc2c[nH]cn2 2230a_100000184400_100000707719 [0,0,1,0,0,1|0,0,0]=2 4758 B18R2.2114 CCCN(Cc1ccccc1)Cc2c[nH]cn2 269982a_100000184400_100000707719 [0,0,1,0,0,1|0,0,0]=2 4759 B18R2.2114 CCCN(Cc1ccccc1)Cc2cc[nH]n2 270004a_100000184400_100000738523 [0,0,1,0,0,1|2,0,0]=4 4760 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccco2 2230a_100000184096_100000210303 [0,0,1,0,0,1|2,0,0]=4 4761 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccco2 2230a_100000201650_100015291786 [0,0,1,0,0,1|2,0,0]=4 4762 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccco2 269982a_100000184096_100000210303 [0,0,1,0,0,1|2,0,0]=4 4763 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccco2 269982a_100000201650_100000211182 [0,0,1,0,0,1|2,0,0]=4 4764 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccco2 270004a_100000184400_100000186105 [0,0,1,0,0,1|2,0,0]=4 4765 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccco2 270004a_100000201650_100015611070 [0,0,1,0,0,1|2,0,0]=4 4766 B18R2.2114 CCCN(Cc1ccccc1)Cc2cccs2 2230a_200000186944_100015291786 [0,0,1,0,0,1|2,0,0]=4 4767 B18R2.2114 CCCN(Cc1ccccc1)Cc2cccs2 269982a_200000186944_100000211182 [0,0,1,0,0,1|2,0,0]=4 4768 B18R2.2114 CCCN(Cc1ccccc1)Cc2cccs2 270004a_100000184400_100000209959 [0,0,1,0,0,1|2,0,0]=4 4769 B18R2.2114 CCCN(Cc1ccccc1)Cc2cccs2 270004a_200000186944_100015611070 [0,0,1,0,0,1|2,0,0]=4 4770 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccoc2 270004a_100000184400_100011215517 [0,0,1,0,0,1|2,0,0]=4 4771 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccon2 2230a_100000184400_100000234950 [0,0,1,0,0,1|2,0,0]=4 4772 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccon2 269982a_100000184400_100000234950 [0,0,1,0,0,1|2,0,0]=4 4773 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 2230a_100000184400_100011261437 [0,0,1,0,0,1|2,0,0]=4 4774 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 2230a_200015183331_100015291786 [0,0,1,0,0,1|2,0,0]=4 4775 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 269982a_100000184400_100011233845 [0,0,1,0,0,1|2,0,0]=4 4776 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 269982a_200015183331_100000211182 [0,0,1,0,0,1|2,0,0]=4 4777 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 270004a_100000184400_100000188534 [0,0,1,0,0,1|2,0,0]=4 4778 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 270004a_200015183331_100015611070 [0,0,1,0,0,1|2,0,0]=4 4779 B18R2.2114 CCCN(Cc1ccccc1)Cc2cn[nH]c2 270004a_100000184400_100016992096 [0,0,1,0,0,1|2,0,0]=4 4780 B18R2.2114 CCCN(Cc1ccccc1)Cc2cnco2 270004a_100000184400_100000064291 [0,0,1,0,0,1|1,0,1]=4 4781 B18R2.2114 CCCN(Cc1ccccc1)Cc2cncs2 2230a_100000184400_100015185245 [0,0,1,0,0,1|1,0,1]=4 4782 B18R2.2114 CCCN(Cc1ccccc1)Cc2cncs2 269982a_100000184400_100015185245 [0,0,1,0,0,1|1,0,1]=4 4783 B18R2.2114 CCCN(Cc1ccccc1)Cc2cncs2 270004a_100000184400_100000749870 [0,0,1,0,0,1|1,0,1]=4 4784 B18R2.2114 CCCN(Cc1ccccc1)Cc2cocn2 270004a_100000184400_100000050382 [0,0,1,0,0,1|1,0,0]=3 4785 B18R2.2114 CCCN(Cc1ccccc1)Cc2cscn2 2230a_100000184400_100000205941 [0,0,1,0,0,1|1,0,0]=3 4786 B18R2.2114 CCCN(Cc1ccccc1)Cc2cscn2 269982a_100000184400_100000205941 [0,0,1,0,0,1|1,0,0]=3 4787 B18R2.2114 CCCN(Cc1ccccc1)Cc2cscn2 270004a_100000184400_100000743575 [0,0,1,0,0,1|1,0,0]=3 4788 B18R2.2114 CCCN(Cc1ccccc1)Cc2csnn2 270004a_100000184400_100000738508 [0,0,1,0,0,1|2,0,0]=4 4789 B18R2.2114 CCCN(Cc1ccccc1)Cc2ncc[nH]2 2230a_100000184400_100016991755 [0,0,1,0,0,1|2,0,0]=4 4790 B18R2.2114 CCCN(Cc1ccccc1)Cc2ncc[nH]2 269982a_100000184400_100016991755 [0,0,1,0,0,1|2,0,0]=4 4791 B18R2.2114 CCCN(Cc1ccccc1)Cc2ncco2 2230a_100000184400_103436540062 [0,0,1,0,0,1|2,0,0]=4 4792 B18R2.2114 CCCN(Cc1ccccc1)Cc2ncco2 269982a_100000184400_103436540062 [0,0,1,0,0,1|2,0,0]=4 4793 B18R2.2114 CCCN(Cc1ccccc1)Cc2ncco2 270004a_100000184400_100000064290 [0,0,1,0,0,1|2,0,0]=4 4794 B18R2.2114 CCCN(Cc1ccccc1)Cc2nccs2 2230a_100000184400_100015184050 [0,0,1,0,0,1|2,0,0]=4 4795 B18R2.2114 CCCN(Cc1ccccc1)Cc2nccs2 2230a_200020666727_100000210303 [0,0,1,0,0,1|2,0,0]=4 4796 B18R2.2114 CCCN(Cc1ccccc1)Cc2nccs2 269982a_100000184400_100015184050 [0,0,1,0,0,1|2,0,0]=4 4797 B18R2.2114 CCCN(Cc1ccccc1)Cc2nccs2 269982a_200020666727_100000210303 [0,0,1,0,0,1|2,0,0]=4 4798 B18R2.2114 CCCN(Cc1ccccc1)Cc2nccs2 270004a_100000184400_100000750902 [0,0,1,0,0,1|2,0,0]=4 4799 B18R2.2114 CCCN(Cc1ccccc1)Cc2ncon2 269982a_100000184400_100000233494 [0,0,1,0,0,1|2,0,0]=4 4800 B18R2.2114 CCCN(Cc1ccccc1)Cn2cncn2 2230a_100000184400_200020645497 [0,0,1,0,0,1|1,0,1]=4 4801 B18R2.2114 CCCN(Cc1ccccc1)Cn2cncn2 269982a_100000184400_200020645497 [0,0,1,0,0,1|1,0,1]=4 4802 B18R2.2114 CCCN(Cc1ccccn1)Cc2c[nH]cn2 2230a_100160999930_100000707719 [0,0,1,0,0,1|1,0,0]=3 4803 B18R2.2114 CCCN(Cc1ccccn1)Cc2c[nH]cn2 269982a_100160999930_100000707719 [0,0,1,0,0,1|1,0,0]=3 4804 B18R2.2114 CCCN(Cc1ccccn1)Cc2cocn2 270004a_100160999930_100000050382 [0,0,1,0,0,1|2,0,0]=4 4805 B18R2.2114 CCCN(Cc1ccccn1)Cc2cscn2 2230a_100160999930_100000205941 [0,0,1,0,0,1|2,0,0]=4 4806 B18R2.2114 CCCN(Cc1ccccn1)Cc2cscn2 269982a_100160999930_100000205941 [0,0,1,0,0,1|2,0,0]=4 4807 B18R2.2114 CCCN(Cc1ccccn1)Cc2cscn2 270004a_100160999930_100000743575 [0,0,1,0,0,1|2,0,0]=4 4808 B18R2.2114 CCCN(Cc1cccnc1)Cc2c[nH]cn2 2230a_100160553015_100000707719 [0,0,1,0,0,1|1,0,0]=3 4809 B18R2.2114 CCCN(Cc1cccnc1)Cc2c[nH]cn2 269982a_100160553015_100000707719 [0,0,1,0,0,1|1,0,0]=3 4810 B18R2.2114 CCCN(Cc1cccnc1)Cc2cocn2 270004a_100160553015_100000050382 [0,0,1,0,0,1|2,0,0]=4 4811 B18R2.2114 CCCN(Cc1cccnc1)Cc2cscn2 2230a_100160553015_100000205941 [0,0,1,0,0,1|2,0,0]=4 4812 B18R2.2114 CCCN(Cc1cccnc1)Cc2cscn2 269982a_100160553015_100000205941 [0,0,1,0,0,1|2,0,0]=4 4813 B18R2.2114 CCCN(Cc1cccnc1)Cc2cscn2 270004a_100160553015_100000743575 [0,0,1,0,0,1|2,0,0]=4 4814 B18R2.2114 CCCN(Cc1ccncc1)Cc2c[nH]cn2 269982a_100160551226_100000707719 [0,0,1,0,0,1|1,0,0]=3 4815 B18R2.2114 CCCN(Cc1ccncc1)Cc2cocn2 270004a_100160551226_100000050382 [0,0,1,0,0,1|2,0,0]=4 4816 B18R2.2114 CCCN(Cc1ccncc1)Cc2cscn2 269982a_100160551226_100000205941 [0,0,1,0,0,1|2,0,0]=4 4817 B18R2.2114 CCCN(Cc1ccncc1)Cc2cscn2 270004a_100160551226_100000743575 [0,0,1,0,0,1|2,0,0]=4 4818 B18R2.2114 N#CCN(Cc1ccccc1)Cc2c[nH]cn2 2230a_100000743013_100000707719 [0,0,1,0,0,1|1,0,1]=4 4819 B18R2.2114 OCCN(Cc1ccccc1)Cc2c[nH]cn2 2230a_100000180844_100000707719 [0,0,1,0,0,1|1,0,0]=3 4820 B18R2.2114 OCCN(Cc1ccccc1)Cc2c[nH]cn2 269982a_100000180844_100000707719 [0,0,1,0,0,1|1,0,0]=3 4821 B18R2.2114 OCCN(Cc1ccccc1)Cc2cocn2 270004a_100000180844_100000050382 [0,0,1,0,0,1|2,0,0]=4 4822 B18R2.2114 OCCN(Cc1ccccc1)Cc2cscn2 2230a_100000180844_100000205941 [0,0,1,0,0,1|2,0,0]=4 4823 B18R2.2114 OCCN(Cc1ccccc1)Cc2cscn2 269982a_100000180844_100000205941 [0,0,1,0,0,1|2,0,0]=4 4824 B18R2.2114 OCCN(Cc1ccccc1)Cc2cscn2 270004a_100000180844_100000743575 [0,0,1,0,0,1|2,0,0]=4 4825 B18R2.2114 OCCN(Cc1cccnc1)Cc2c[nH]cn2 2230a_200000200437_100000707719 [0,0,1,0,0,1|2,0,0]=4 4826 B18R2.2114 OCCN(Cc1cccnc1)Cc2c[nH]cn2 269982a_200000200437_100000707719 [0,0,1,0,0,1|2,0,0]=4 4827 B18R2.14840 C=CCN(CCc1c[nH]cn1)c2ccccc2 2230a_100000211662_100020628418 [0,0,1,0,0,1|0,0,2]=4 4828 B18R2.14840 C=CCN(CCc1c[nH]cn1)c2ccccc2 269982a_100000211662_100020628418 [0,0,1,0,0,1|0,0,2]=4 4829 B18R2.14840 CCCC(NCc1c[nH]cn1)c2ccccc2 2230a_100000189686_100000707719 [0,0,1,0,0,1|1,0,0]=3 4830 B18R2.14840 CCCC(NCc1c[nH]cn1)c2ccccc2 34a_100000189686_100000707719 [0,0,1,0,0,1|1,0,0]=3 4831 B18R2.14840 CCCC(NCc1c[nH]cn1)c2cccnc2 2230a_100011351308_100000707719 [0,0,1,0,0,1|2,0,0]=4 4832 B18R2.14840 CCCC(NCc1cocn1)c2ccccc2 269862a_100015188801_100000211045 [0,0,1,0,0,1|2,0,0]=4 4833 B18R2.14840 CCCC(NCc1cocn1)c2ccccc2 270004a_100000189686_100000050382 [0,0,1,0,0,1|2,0,0]=4 4834 B18R2.14840 CCCC(NCc1cscn1)c2ccccc2 207a_100000189686_100000743575 [0,0,1,0,0,1|2,0,0]=4 4835 B18R2.14840 CCCC(NCc1cscn1)c2ccccc2 2230a_100000189686_100000205941 [0,0,1,0,0,1|2,0,0]=4 4836 B18R2.14840 CCCC(NCc1cscn1)c2ccccc2 269862a_100015185402_100000211045 [0,0,1,0,0,1|2,0,0]=4 4837 B18R2.14840 CCCC(NCc1cscn1)c2ccccc2 270004a_100000189686_100000743575 [0,0,1,0,0,1|2,0,0]=4 4838 B18R2.14840 CCCC(NCc1cscn1)c2ccccc2 34a_100000189686_100000205941 [0,0,1,0,0,1|2,0,0]=4 4839 B18R2.14840 CCCC(OCc1c[nH]cn1)c2ccccc2 34a_100000747916_100000707719 [0,0,1,0,0,1|1,0,0]=3 4840 B18R2.14840 CCCC(OCc1cscn1)c2ccccc2 34a_100000747916_100000205941 [0,0,1,0,0,1|2,0,0]=4 4841 B18R2.14840 CCCC(OCc1cscn1)c2ccccc2 7a_100000747916_100000205941 [0,0,1,0,0,1|2,0,0]=4 4842 B18R2.14840 CCCN(CCc1c[nH]cn1)c2ccccc2 2230a_200011218496_100020628418 [0,0,1,0,0,1|0,0,0]=2 4843 B18R2.14840 CCCN(CCc1c[nH]cn1)c2ccccc2 269982a_200011218496_100020628418 [0,0,1,0,0,1|0,0,0]=2 4844 B18R2.14840 CCCN(CCc1cccs1)c2ccccc2 2230a_200011218496_100000748579 [0,0,1,0,0,1|2,0,0]=4 4845 B18R2.14840 CCCN(CCc1cccs1)c2ccccc2 269982a_200011218496_100000748579 [0,0,1,0,0,1|2,0,0]=4 4846 B18R2.14840 CCCN(CCc1cccs1)c2ccccc2 34a_200011218496_100000748579 [0,0,1,0,0,1|2,0,0]=4 4847 B18R2.14840 CCCN(CCc1cn[nH]c1)c2ccccc2 2230a_200011218496_100000743252 [0,0,1,0,0,1|2,0,0]=4 4848 B18R2.14840 CCCN(CCc1cn[nH]c1)c2ccccc2 269982a_200011218496_100000743252 [0,0,1,0,0,1|2,0,0]=4 4849 B18R2.14840 CCCN(CCn1cccn1)c2ccccc2 2230a_200011218496_100000685285 [0,0,1,0,0,1|2,0,0]=4 4850 B18R2.14840 CCCN(CCn1cccn1)c2ccccc2 269982a_200011218496_100000685285 [0,0,1,0,0,1|2,0,0]=4 4851 B18R2.14840 CCCN(CCn1cccn1)c2ccccc2 34a_200011218496_100015204718 [0,0,1,0,0,1|2,0,0]=4 4852 B18R2.14840 CCCN(CCn1cncn1)c2ccccc2 2230a_200011218496_100000731791 [0,0,1,0,0,1|1,0,1]=4 4853 B18R2.14840 CCCN(CCn1cncn1)c2ccccc2 269982a_200011218496_100000731791 [0,0,1,0,0,1|1,0,1]=4 4854 B18R2.14840 CCCN(CCn1cncn1)c2ccccc2 34a_200011218496_200000749826 [0,0,1,0,0,1|1,0,1]=4 4855 B18R2.14840 COC[C@@H](NCc1c[nH]cn1)c2ccccc2 2230a_103619048568_100000707719 [0,0,1,0,0,1|2,0,0]=4 4856 B18R2.14840 COC[C@@H](NCc1c[nH]cn1)c2ccccc2 34a_103619048568_100000707719 [0,0,1,0,0,1|2,0,0]=4 4857 B18R2.14840 ClCCC(SCc1c[nH]cn1)c2ccccc2 62a_100000707719_200010132975 [0,0,1,0,0,1|2,0,0]=4 4858 B18R2.14840 ClCCC(SCc1c[nH]cn1)c2ccccc2 62a_200010132975_100000707719 [0,0,1,0,0,1|2,0,0]=4 4859 B18R2.14840 ClCC[C@@H](OCc1c[nH]cn1)c2ccccc2 34a_100000729684_100000707719 [0,0,1,0,0,1|2,0,0]=4 4860 B18R2.14840 NCCC(OCc1c[nH]cn1)c2ccccc2 34a_100000763605_100000707719 [0,0,1,0,0,1|2,0,0]=4 4861 B18R2.14840 OCCN(CCc1c[nH]cn1)c2ccccc2 2230a_100000211345_100020628418 [0,0,1,0,0,1|1,0,0]=3 4862 B18R2.14840 OCCN(CCc1c[nH]cn1)c2ccccc2 269982a_100000211345_100020628418 [0,0,1,0,0,1|1,0,0]=3 4863 B18R2.14840 OCC[C@H](NCc1c[nH]cn1)c2ccccc2 2230a_100025705951_100000707719 [0,0,1,0,0,1|2,0,0]=4 4864 B18R2.2525 c1cc(ccn1)CCCNCc2cnccn2 2230a_100011275580_100016995436 [0,0,1,0,0,1|1,0,1]=4 4865 B18R2.2525 c1cc(ccn1)CCCNCc2cnccn2 270004a_100011275580_100000749867 [0,0,1,0,0,1|1,0,1]=4 4866 B18R2.2525 c1cc(ccn1)CCCNCc2cncnc2 2230a_100011275580_100015196519 [0,0,1,0,0,1|1,0,1]=4 4867 B18R2.2525 c1cc(ccn1)CCCNCc2cncnc2 270004a_100011275580_100000749868 [0,0,1,0,0,1|1,0,1]=4 4868 B18R2.2525 c1ccc(cc1)CCCNCc2ccccc2 207a_100000211184_100015611070 [0,0,1,0,0,1|2,0,0]=4 4869 B18R2.2525 c1ccc(cc1)CCCNCc2ccccc2 2230a_100000211184_100015291786 [0,0,1,0,0,1|2,0,0]=4 4870 B18R2.2525 c1ccc(cc1)CCCNCc2ccccc2 2230a_100015324214_100000211621 [0,0,1,0,0,1|2,0,0]=4 4871 B18R2.2525 c1ccc(cc1)CCCNCc2ccccc2 270004a_100000211184_100015611070 [0,0,1,0,0,1|2,0,0]=4 4872 B18R2.2525 c1ccc(cc1)CCCNCc2ccccc2 34a_100000211184_100015291786 [0,0,1,0,0,1|2,0,0]=4 4873 B18R2.2525 c1ccc(cc1)CCCNCc2ccccc2 34a_100015324214_100000211621 [0,0,1,0,0,1|2,0,0]=4 4874 B18R2.2525 c1ccc(cc1)CCCNCc2ccccn2 207a_100000211184_100000209966 [0,0,1,0,0,1|1,0,0]=3 4875 B18R2.2525 c1ccc(cc1)CCCNCc2ccccn2 2230a_100000211184_100000721315 [0,0,1,0,0,1|1,0,0]=3 4876 B18R2.2525 c1ccc(cc1)CCCNCc2ccccn2 270004a_100000211184_100000209966 [0,0,1,0,0,1|1,0,0]=3 4877 B18R2.2525 c1ccc(cc1)CCCNCc2ccccn2 34a_100000211184_100000721315 [0,0,1,0,0,1|1,0,0]=3 4878 B18R2.2525 c1ccc(cc1)CCCNCc2cccnc2 207a_100000211184_100000209961 [0,0,1,0,0,1|1,0,0]=3 4879 B18R2.2525 c1ccc(cc1)CCCNCc2cccnc2 2230a_100000211184_100000741622 [0,0,1,0,0,1|1,0,0]=3 4880 B18R2.2525 c1ccc(cc1)CCCNCc2cccnc2 270004a_100000211184_100000209961 [0,0,1,0,0,1|1,0,0]=3 4881 B18R2.2525 c1ccc(cc1)CCCNCc2cccnc2 34a_100000211184_100000733263 [0,0,1,0,0,1|1,0,0]=3 4882 B18R2.2525 c1ccc(cc1)CCCNCc2cccnn2 2230a_100000211184_100016990269 [0,0,1,0,0,1|1,0,0]=3 4883 B18R2.2525 c1ccc(cc1)CCCNCc2cccnn2 2230a_100159270163_100000211621 [0,0,1,0,0,1|1,0,0]=3 4884 B18R2.2525 c1ccc(cc1)CCCNCc2cccnn2 34a_100000211184_100016990269 [0,0,1,0,0,1|1,0,0]=3 4885 B18R2.2525 c1ccc(cc1)CCCNCc2ccncc2 207a_100000211184_100000186114 [0,0,1,0,0,1|1,0,1]=4 4886 B18R2.2525 c1ccc(cc1)CCCNCc2ccncc2 2230a_100000211184_100015193705 [0,0,1,0,0,1|1,0,1]=4 4887 B18R2.2525 c1ccc(cc1)CCCNCc2ccnnc2 270004a_100000211184_100011934578 [0,0,1,0,0,1|1,0,1]=4 4888 B18R2.2525 c1ccc(cc1)CCCNCc2cnccn2 2230a_100000211184_100016995436 [0,0,1,0,0,1|0,0,1]=3 4889 B18R2.2525 c1ccc(cc1)CCCNCc2cnccn2 270004a_100000211184_100000749867 [0,0,1,0,0,1|0,0,1]=3 4890 B18R2.2525 c1ccc(cc1)CCCNCc2cnccn2 34a_100000211184_100016995436 [0,0,1,0,0,1|0,0,1]=3 4891 B18R2.2525 c1ccc(cc1)CCCNCc2cncnc2 2230a_100000211184_100015196519 [0,0,1,0,0,1|0,0,1]=3 4892 B18R2.2525 c1ccc(cc1)CCCNCc2cncnc2 2230a_100011243677_100000211621 [0,0,1,0,0,1|0,0,1]=3 4893 B18R2.2525 c1ccc(cc1)CCCNCc2cncnc2 270004a_100000211184_100000749868 [0,0,1,0,0,1|0,0,1]=3 4894 B18R2.2525 c1ccc(cc1)CCCNCc2cncnc2 34a_100000211184_100015196519 [0,0,1,0,0,1|0,0,1]=3 4895 B18R2.2525 c1ccc(cc1)CCCNCc2ncccn2 2230a_100000211184_100000703007 [0,0,1,0,0,1|1,0,0]=3 4896 B18R2.2525 c1ccc(cc1)CCCNCc2ncccn2 270004a_100000211184_100011532527 [0,0,1,0,0,1|1,0,0]=3 4897 B18R2.2525 c1ccc(cc1)CCCNCc2ncccn2 34a_100000211184_100000703007 [0,0,1,0,0,1|1,0,0]=3 4898 B18R2.2525 c1ccc(cc1)CCCOCc2ccccn2 34a_100000210828_100000721315 [0,0,1,0,0,1|2,0,0]=4 4899 B18R2.2525 c1ccc(cc1)CCCOCc2ccccn2 7a_100000210828_100000721315 [0,0,1,0,0,1|2,0,0]=4 4900 B18R2.2525 c1ccc(cc1)CCCOCc2cccnc2 34a_100000210828_100000733263 [0,0,1,0,0,1|2,0,0]=4 4901 B18R2.2525 c1ccc(cc1)CCCOCc2cccnc2 7a_100000210828_100000741622 [0,0,1,0,0,1|2,0,0]=4 4902 B18R2.2525 c1ccc(cc1)CCCOCc2cccnn2 34a_100000210828_100016990269 [0,0,1,0,0,1|2,0,0]=4 4903 B18R2.2525 c1ccc(cc1)CCCOCc2cccnn2 7a_100000210828_100016990269 [0,0,1,0,0,1|2,0,0]=4 4904 B18R2.2525 c1ccc(cc1)CCCOCc2cnccn2 34a_100000210828_100016995436 [0,0,1,0,0,1|1,0,1]=4 4905 B18R2.2525 c1ccc(cc1)CCCOCc2cnccn2 7a_100000210828_100016995436 [0,0,1,0,0,1|1,0,1]=4 4906 B18R2.2525 c1ccc(cc1)CCCOCc2cncnc2 34a_100000210828_100015196519 [0,0,1,0,0,1|1,0,1]=4 4907 B18R2.2525 c1ccc(cc1)CCCOCc2cncnc2 7a_100000210828_100015196519 [0,0,1,0,0,1|1,0,1]=4 4908 B18R2.2525 c1ccc(cc1)CCCOCc2ncccn2 34a_100000210828_100000703007 [0,0,1,0,0,1|2,0,0]=4 4909 B18R2.2525 c1ccc(cc1)CCCOCc2ncccn2 7a_100000210828_100000703007 [0,0,1,0,0,1|2,0,0]=4 4910 B18R2.2525 c1ccc(cc1)CCCSCc2ccccn2 62a_100000211621_100000721315 [0,0,1,0,0,1|2,0,0]=4 4911 B18R2.2525 c1ccc(cc1)CCCSCc2ccccn2 62a_100000721315_100000211621 [0,0,1,0,0,1|2,0,0]=4 4912 B18R2.2525 c1ccc(cc1)CCCSCc2cccnc2 62a_100000211621_100000741622 [0,0,1,0,0,1|2,0,0]=4 4913 B18R2.2525 c1ccc(cc1)CCCSCc2cccnc2 62a_100000741622_100000211621 [0,0,1,0,0,1|2,0,0]=4 4914 B18R2.2525 c1ccc(cc1)CCCSCc2cccnn2 62a_100000211621_100016990269 [0,0,1,0,0,1|2,0,0]=4 4915 B18R2.2525 c1ccc(cc1)CCCSCc2cccnn2 62a_100016990269_100000211621 [0,0,1,0,0,1|2,0,0]=4 4916 B18R2.2525 c1ccc(cc1)CCCSCc2cnccn2 62a_100000211621_100016995436 [0,0,1,0,0,1|1,0,1]=4 4917 B18R2.2525 c1ccc(cc1)CCCSCc2cnccn2 62a_100016995436_100000211621 [0,0,1,0,0,1|1,0,1]=4 4918 B18R2.2525 c1ccc(cc1)CCCSCc2cncnc2 62a_100000211621_100015196519 [0,0,1,0,0,1|1,0,1]=4 4919 B18R2.2525 c1ccc(cc1)CCCSCc2cncnc2 62a_100015196519_100000211621 [0,0,1,0,0,1|1,0,1]=4 4920 B18R2.2525 c1ccc(cc1)CCCSCc2ncccn2 62a_100000211621_100000703007 [0,0,1,0,0,1|2,0,0]=4 4921 B18R2.2525 c1ccc(cc1)CCCSCc2ncccn2 62a_100000703007_100000211621 [0,0,1,0,0,1|2,0,0]=4 4922 B18R2.2525 c1ccc(cc1)COCNCc2cccnn2 2230a_100159270163_100000763385 [0,0,1,0,0,1|2,0,0]=4 4923 B18R2.2525 c1ccc(cc1)COCNCc2cncnc2 2230a_100011243677_100000763385 [0,0,1,0,0,1|1,0,1]=4 4924 B18R2.2525 c1ccc(cc1)CSCNCc2cccnn2 2230a_100159270163_200011217039 [0,0,1,0,0,1|2,0,0]=4 4925 B18R2.2525 c1ccc(cc1)CSCNCc2cncnc2 2230a_100011243677_200011217039 [0,0,1,0,0,1|1,0,1]=4 4926 B18R2.2525 c1ccc(cc1)OCCNCc2ccccn2 207a_100000174943_100000209966 [0,0,1,0,0,1|2,0,0]=4 4927 B18R2.2525 c1ccc(cc1)OCCNCc2ccccn2 2230a_100000174943_100000721315 [0,0,1,0,0,1|2,0,0]=4 4928 B18R2.2525 c1ccc(cc1)OCCNCc2ccccn2 270004a_100000174943_100000209966 [0,0,1,0,0,1|2,0,0]=4 4929 B18R2.2525 c1ccc(cc1)OCCNCc2ccccn2 270004a_100000210449_100000758736 [0,0,1,0,0,1|2,0,0]=4 4930 B18R2.2525 c1ccc(cc1)OCCNCc2ccccn2 34a_100000174943_100000721315 [0,0,1,0,0,1|2,0,0]=4 4931 B18R2.2525 c1ccc(cc1)OCCNCc2cccnc2 207a_100000174943_100000209961 [0,0,1,0,0,1|2,0,0]=4 4932 B18R2.2525 c1ccc(cc1)OCCNCc2cccnc2 2230a_100000174943_100000741622 [0,0,1,0,0,1|2,0,0]=4 4933 B18R2.2525 c1ccc(cc1)OCCNCc2cccnc2 270004a_100000174943_100000209961 [0,0,1,0,0,1|2,0,0]=4 4934 B18R2.2525 c1ccc(cc1)OCCNCc2cccnc2 270004a_100000210453_100000758736 [0,0,1,0,0,1|2,0,0]=4 4935 B18R2.2525 c1ccc(cc1)OCCNCc2cccnc2 34a_100000174943_100000733263 [0,0,1,0,0,1|2,0,0]=4 4936 B18R2.2525 c1ccc(cc1)OCCNCc2cccnn2 2230a_100000174943_100016990269 [0,0,1,0,0,1|2,0,0]=4 4937 B18R2.2525 c1ccc(cc1)OCCNCc2cccnn2 2230a_100159270163_100000184471 [0,0,1,0,0,1|2,0,0]=4 4938 B18R2.2525 c1ccc(cc1)OCCNCc2cccnn2 34a_100000174943_100016990269 [0,0,1,0,0,1|2,0,0]=4 4939 B18R2.2525 c1ccc(cc1)OCCNCc2cnccn2 2230a_100000174943_100016995436 [0,0,1,0,0,1|1,0,1]=4 4940 B18R2.2525 c1ccc(cc1)OCCNCc2cnccn2 270004a_100000174943_100000749867 [0,0,1,0,0,1|1,0,1]=4 4941 B18R2.2525 c1ccc(cc1)OCCNCc2cnccn2 34a_100000174943_100016995436 [0,0,1,0,0,1|1,0,1]=4 4942 B18R2.2525 c1ccc(cc1)OCCNCc2cncnc2 2230a_100000174943_100015196519 [0,0,1,0,0,1|1,0,1]=4 4943 B18R2.2525 c1ccc(cc1)OCCNCc2cncnc2 2230a_100011243677_100000184471 [0,0,1,0,0,1|1,0,1]=4 4944 B18R2.2525 c1ccc(cc1)OCCNCc2cncnc2 270004a_100000174943_100000749868 [0,0,1,0,0,1|1,0,1]=4 4945 B18R2.2525 c1ccc(cc1)OCCNCc2cncnc2 270004a_100011243677_100000758736 [0,0,1,0,0,1|1,0,1]=4 4946 B18R2.2525 c1ccc(cc1)OCCNCc2cncnc2 34a_100000174943_100015196519 [0,0,1,0,0,1|1,0,1]=4 4947 B18R2.2525 c1ccc(cc1)OCCNCc2ncccn2 2230a_100000174943_100000703007 [0,0,1,0,0,1|2,0,0]=4 4948 B18R2.2525 c1ccc(cc1)OCCNCc2ncccn2 270004a_100000174943_100011532527 [0,0,1,0,0,1|2,0,0]=4 4949 B18R2.2525 c1ccc(cc1)OCCNCc2ncccn2 34a_100000174943_100000703007 [0,0,1,0,0,1|2,0,0]=4 4950 B18R2.2525 c1ccc(cc1)SCCNCc2ccccn2 207a_100000189519_100000209966 [0,0,1,0,0,1|2,0,0]=4 4951 B18R2.2525 c1ccc(cc1)SCCNCc2ccccn2 2230a_100000189519_100000721315 [0,0,1,0,0,1|2,0,0]=4 4952 B18R2.2525 c1ccc(cc1)SCCNCc2ccccn2 270004a_100000189519_100000209966 [0,0,1,0,0,1|2,0,0]=4 4953 B18R2.2525 c1ccc(cc1)SCCNCc2cccnc2 207a_100000189519_100000209961 [0,0,1,0,0,1|2,0,0]=4 4954 B18R2.2525 c1ccc(cc1)SCCNCc2cccnc2 2230a_100000189519_100000741622 [0,0,1,0,0,1|2,0,0]=4 4955 B18R2.2525 c1ccc(cc1)SCCNCc2cccnc2 270004a_100000189519_100000209961 [0,0,1,0,0,1|2,0,0]=4 4956 B18R2.2525 c1ccc(cc1)SCCNCc2cccnn2 2230a_100000189519_100016990269 [0,0,1,0,0,1|2,0,0]=4 4957 B18R2.2525 c1ccc(cc1)SCCNCc2cccnn2 2230a_100159270163_100000246102 [0,0,1,0,0,1|2,0,0]=4 4958 B18R2.2525 c1ccc(cc1)SCCNCc2cnccn2 2230a_100000189519_100016995436 [0,0,1,0,0,1|1,0,1]=4 4959 B18R2.2525 c1ccc(cc1)SCCNCc2cnccn2 270004a_100000189519_100000749867 [0,0,1,0,0,1|1,0,1]=4 4960 B18R2.2525 c1ccc(cc1)SCCNCc2cncnc2 2230a_100000189519_100015196519 [0,0,1,0,0,1|1,0,1]=4 4961 B18R2.2525 c1ccc(cc1)SCCNCc2cncnc2 2230a_100011243677_100000246102 [0,0,1,0,0,1|1,0,1]=4 4962 B18R2.2525 c1ccc(cc1)SCCNCc2cncnc2 270004a_100000189519_100000749868 [0,0,1,0,0,1|1,0,1]=4 4963 B18R2.2525 c1ccc(cc1)SCCNCc2ncccn2 2230a_100000189519_100000703007 [0,0,1,0,0,1|2,0,0]=4 4964 B18R2.2525 c1ccc(cc1)SCCNCc2ncccn2 270004a_100000189519_100011532527 [0,0,1,0,0,1|2,0,0]=4 4965 B18R2.2525 c1ccc(nc1)CCCNCc2ccccn2 207a_100000689020_100000209966 [0,0,1,0,0,1|2,0,0]=4 4966 B18R2.2525 c1ccc(nc1)CCCNCc2ccccn2 270004a_100000689020_100000209966 [0,0,1,0,0,1|2,0,0]=4 4967 B18R2.2525 c1ccc(nc1)CCCNCc2cccnc2 207a_100000689020_100000209961 [0,0,1,0,0,1|2,0,0]=4 4968 B18R2.2525 c1ccc(nc1)CCCNCc2cccnc2 270004a_100000689020_100000209961 [0,0,1,0,0,1|2,0,0]=4 4969 B18R2.2525 c1ccc(nc1)CCCNCc2cnccn2 270004a_100000689020_100000749867 [0,0,1,0,0,1|1,0,1]=4 4970 B18R2.2525 c1ccc(nc1)CCCNCc2cncnc2 270004a_100000689020_100000749868 [0,0,1,0,0,1|1,0,1]=4 4971 B18R2.2525 c1ccc(nc1)CCCNCc2ncccn2 270004a_100000689020_100011532527 [0,0,1,0,0,1|2,0,0]=4 4972 B18R2.2525 c1ccc(nc1)CNCCCc2cccnc2 207a_100011532358_100000209966 [0,0,1,0,0,1|2,0,0]=4 4973 B18R2.2525 c1ccc(nc1)CNCCCc2cccnc2 2230a_100011532358_100000721315 [0,0,1,0,0,1|2,0,0]=4 4974 B18R2.2525 c1ccc(nc1)CNCCCc2cccnc2 270004a_100011532358_100000209966 [0,0,1,0,0,1|2,0,0]=4 4975 B18R2.2525 c1ccc(nc1)CNCCCc2cccnc2 34a_100011532358_100000721315 [0,0,1,0,0,1|2,0,0]=4 4976 B18R2.2525 c1ccc(nc1)CNCCCc2ccncc2 207a_100011275580_100000209966 [0,0,1,0,0,1|2,0,0]=4 4977 B18R2.2525 c1ccc(nc1)CNCCCc2ccncc2 2230a_100011275580_100000721315 [0,0,1,0,0,1|2,0,0]=4 4978 B18R2.2525 c1ccc(nc1)CNCCCc2ccncc2 270004a_100011275580_100000209966 [0,0,1,0,0,1|2,0,0]=4 4979 B18R2.2525 c1cnc(nc1)CNCCCc2cccnc2 2230a_100011532358_100000703007 [0,0,1,0,0,1|2,0,0]=4 4980 B18R2.2525 c1cnc(nc1)CNCCCc2cccnc2 270004a_100011532358_100011532527 [0,0,1,0,0,1|2,0,0]=4 4981 B18R2.2525 c1cnc(nc1)CNCCCc2cccnc2 34a_100011532358_100000703007 [0,0,1,0,0,1|2,0,0]=4 4982 B18R2.2525 c1cnc(nc1)CNCCCc2ccncc2 2230a_100011275580_100000703007 [0,0,1,0,0,1|2,0,0]=4 4983 B18R2.2525 c1cnc(nc1)CNCCCc2ccncc2 270004a_100011275580_100011532527 [0,0,1,0,0,1|2,0,0]=4 4984 B18R2.2525 c1cncc(c1)CCCNCc2cccnc2 207a_100011532358_100000209961 [0,0,1,0,0,1|2,0,0]=4 4985 B18R2.2525 c1cncc(c1)CCCNCc2cccnc2 2230a_100011532358_100000741622 [0,0,1,0,0,1|2,0,0]=4 4986 B18R2.2525 c1cncc(c1)CCCNCc2cccnc2 270004a_100011532358_100000209961 [0,0,1,0,0,1|2,0,0]=4 4987 B18R2.2525 c1cncc(c1)CCCNCc2cccnc2 34a_100011532358_100000733263 [0,0,1,0,0,1|2,0,0]=4 4988 B18R2.2525 c1cncc(c1)CCCNCc2cccnn2 2230a_100011532358_100016990269 [0,0,1,0,0,1|2,0,0]=4 4989 B18R2.2525 c1cncc(c1)CCCNCc2cccnn2 34a_100011532358_100016990269 [0,0,1,0,0,1|2,0,0]=4 4990 B18R2.2525 c1cncc(c1)CCCNCc2cnccn2 2230a_100011532358_100016995436 [0,0,1,0,0,1|1,0,1]=4 4991 B18R2.2525 c1cncc(c1)CCCNCc2cnccn2 270004a_100011532358_100000749867 [0,0,1,0,0,1|1,0,1]=4 4992 B18R2.2525 c1cncc(c1)CCCNCc2cnccn2 34a_100011532358_100016995436 [0,0,1,0,0,1|1,0,1]=4 4993 B18R2.2525 c1cncc(c1)CCCNCc2cncnc2 2230a_100011532358_100015196519 [0,0,1,0,0,1|1,0,1]=4 4994 B18R2.2525 c1cncc(c1)CCCNCc2cncnc2 270004a_100011532358_100000749868 [0,0,1,0,0,1|1,0,1]=4 4995 B18R2.2525 c1cncc(c1)CCCNCc2cncnc2 34a_100011532358_100015196519 [0,0,1,0,0,1|1,0,1]=4 4996 B18R2.2525 c1cncc(c1)CNCCCc2ccncc2 207a_100011275580_100000209961 [0,0,1,0,0,1|2,0,0]=4 4997 B18R2.2525 c1cncc(c1)CNCCCc2ccncc2 2230a_100011275580_100000741622 [0,0,1,0,0,1|2,0,0]=4 4998 B18R2.2525 c1cncc(c1)CNCCCc2ccncc2 270004a_100011275580_100000209961 [0,0,1,0,0,1|2,0,0]=4 4999 B18R2.2525 c1cnnc(c1)CNCCCc2ccncc2 2230a_100011275580_100016990269 [0,0,1,0,0,1|2,0,0]=4 5000 B18R2.2526 C(#Cc1ccccc1)CCOCc2c[nH]cn2 34a_100000760064_100000707719 [0,0,1,0,0,1|1,0,1]=4 5001 B18R2.2526 C(=C/c1ccccc1)\CNCCc2c[nH]cn2 2230a_100020603302_100020628418 [0,0,1,0,0,1|0,0,2]=4 5002 B18R2.2526 C(=Cc1ccccc1)CNCCc2c[nH]cn2 270004a_100000755092_100000210105 [0,0,1,0,0,1|0,0,2]=4 5003 B18R2.2526 c1cc(ccn1)CCCCNCc2cscn2 2230a_100015185402_100020630000 [0,0,1,0,0,1|2,0,0]=4 5004 B18R2.2526 c1cc(ccn1)CCCCOCc2c[nH]cn2 34a_100011787716_100000707719 [0,0,1,0,0,1|2,0,0]=4 5005 B18R2.2526 c1cc(ccn1)CCCCSCc2c[nH]cn2 62a_100000707719_100020630000 [0,0,1,0,0,1|2,0,0]=4 5006 B18R2.2526 c1cc(ccn1)CCCCSCc2c[nH]cn2 62a_100020630000_100000707719 [0,0,1,0,0,1|2,0,0]=4 5007 B18R2.2526 c1cc(ccn1)CCCNCCc2c[nH]cn2 2230a_100011275580_100020628418 [0,0,1,0,0,1|1,0,0]=3 5008 B18R2.2526 c1ccc(cc1)CCCCCSc2c[nH]cn2 62a_100000756875_200011217138 [0,0,1,0,0,1|1,0,0]=3 5009 B18R2.2526 c1ccc(cc1)CCCCCSc2c[nH]cn2 62a_200011217138_100000756875 [0,0,1,0,0,1|1,0,0]=3 5010 B18R2.2526 c1ccc(cc1)CCCCCSc2c[nH]nn2 62a_100009819707_200011217138 [0,0,1,0,0,1|2,0,0]=4 5011 B18R2.2526 c1ccc(cc1)CCCCCSc2c[nH]nn2 62a_200011217138_100009819707 [0,0,1,0,0,1|2,0,0]=4 5012 B18R2.2526 c1ccc(cc1)CCCCCSc2cscn2 62a_100000751502_200011217138 [0,0,1,0,0,1|2,0,0]=4 5013 B18R2.2526 c1ccc(cc1)CCCCCSc2cscn2 62a_200011217138_100000751502 [0,0,1,0,0,1|2,0,0]=4 5014 B18R2.2526 c1ccc(cc1)CCCCCSc2nc[nH]n2 62a_100000761765_200011217138 [0,0,1,0,0,1|2,0,0]=4 5015 B18R2.2526 c1ccc(cc1)CCCCCSc2nc[nH]n2 62a_200011217138_100000761765 [0,0,1,0,0,1|2,0,0]=4 5016 B18R2.2526 c1ccc(cc1)CCCCNCc2c[nH]cn2 2230a_100015280158_100000707719 [0,0,1,0,0,1|0,0,0]=2 5017 B18R2.2526 c1ccc(cc1)CCCCNCc2c[nH]cn2 34a_100015280158_100000707719 [0,0,1,0,0,1|0,0,0]=2 5018 B18R2.2526 c1ccc(cc1)CCCCNCc2cc[nH]n2 207a_100015280158_100000738523 [0,0,1,0,0,1|2,0,0]=4 5019 B18R2.2526 c1ccc(cc1)CCCCNCc2cc[nH]n2 270004a_100015280158_100000738523 [0,0,1,0,0,1|2,0,0]=4 5020 B18R2.2526 c1ccc(cc1)CCCCNCc2ccco2 207a_100015280158_100000186105 [0,0,1,0,0,1|2,0,0]=4 5021 B18R2.2526 c1ccc(cc1)CCCCNCc2ccco2 2230a_100000185738_100000701786 [0,0,1,0,0,1|2,0,0]=4 5022 B18R2.2526 c1ccc(cc1)CCCCNCc2ccco2 270004a_100015280158_100000186105 [0,0,1,0,0,1|2,0,0]=4 5023 B18R2.2526 c1ccc(cc1)CCCCNCc2ccco2 34a_100000185738_100000701786 [0,0,1,0,0,1|2,0,0]=4 5024 B18R2.2526 c1ccc(cc1)CCCCNCc2cccs2 207a_100015280158_100000209959 [0,0,1,0,0,1|2,0,0]=4 5025 B18R2.2526 c1ccc(cc1)CCCCNCc2cccs2 2230a_100000211653_100000701786 [0,0,1,0,0,1|2,0,0]=4 5026 B18R2.2526 c1ccc(cc1)CCCCNCc2cccs2 270004a_100015280158_100000209959 [0,0,1,0,0,1|2,0,0]=4 5027 B18R2.2526 c1ccc(cc1)CCCCNCc2ccoc2 207a_100015280158_100011215517 [0,0,1,0,0,1|2,0,0]=4 5028 B18R2.2526 c1ccc(cc1)CCCCNCc2ccoc2 2230a_100015206860_100000701786 [0,0,1,0,0,1|2,0,0]=4 5029 B18R2.2526 c1ccc(cc1)CCCCNCc2ccoc2 270004a_100015280158_100011215517 [0,0,1,0,0,1|2,0,0]=4 5030 B18R2.2526 c1ccc(cc1)CCCCNCc2ccoc2 34a_100015206860_100000701786 [0,0,1,0,0,1|2,0,0]=4 5031 B18R2.2526 c1ccc(cc1)CCCCNCc2ccon2 2230a_100015280158_100000234950 [0,0,1,0,0,1|2,0,0]=4 5032 B18R2.2526 c1ccc(cc1)CCCCNCc2ccon2 34a_100015280158_100000234950 [0,0,1,0,0,1|2,0,0]=4 5033 B18R2.2526 c1ccc(cc1)CCCCNCc2ccsc2 207a_100015280158_100000188534 [0,0,1,0,0,1|2,0,0]=4 5034 B18R2.2526 c1ccc(cc1)CCCCNCc2ccsc2 2230a_100000186416_100000701786 [0,0,1,0,0,1|2,0,0]=4 5035 B18R2.2526 c1ccc(cc1)CCCCNCc2ccsc2 2230a_100015280158_100011261437 [0,0,1,0,0,1|2,0,0]=4 5036 B18R2.2526 c1ccc(cc1)CCCCNCc2ccsc2 270004a_100015280158_100000188534 [0,0,1,0,0,1|2,0,0]=4 5037 B18R2.2526 c1ccc(cc1)CCCCNCc2ccsc2 34a_100000186416_100000701786 [0,0,1,0,0,1|2,0,0]=4 5038 B18R2.2526 c1ccc(cc1)CCCCNCc2ccsc2 34a_100015280158_100011261437 [0,0,1,0,0,1|2,0,0]=4 5039 B18R2.2526 c1ccc(cc1)CCCCNCc2cn[nH]c2 207a_100015280158_100016992096 [0,0,1,0,0,1|2,0,0]=4 5040 B18R2.2526 c1ccc(cc1)CCCCNCc2cn[nH]c2 270004a_100015280158_100016992096 [0,0,1,0,0,1|2,0,0]=4 5041 B18R2.2526 c1ccc(cc1)CCCCNCc2cnc[nH]2 207a_100015280158_100000742939 [0,0,1,0,0,1|0,0,2]=4 5042 B18R2.2526 c1ccc(cc1)CCCCNCc2cnco2 270004a_100015280158_100000064291 [0,0,1,0,0,1|1,0,1]=4 5043 B18R2.2526 c1ccc(cc1)CCCCNCc2cncs2 207a_100015280158_100000749870 [0,0,1,0,0,1|1,0,1]=4 5044 B18R2.2526 c1ccc(cc1)CCCCNCc2cncs2 2230a_100015280158_100015185245 [0,0,1,0,0,1|1,0,1]=4 5045 B18R2.2526 c1ccc(cc1)CCCCNCc2cncs2 2230a_100016987365_100000701786 [0,0,1,0,0,1|1,0,1]=4 5046 B18R2.2526 c1ccc(cc1)CCCCNCc2cncs2 270004a_100015280158_100000749870 [0,0,1,0,0,1|1,0,1]=4 5047 B18R2.2526 c1ccc(cc1)CCCCNCc2cncs2 34a_100015280158_100015185245 [0,0,1,0,0,1|1,0,1]=4 5048 B18R2.2526 c1ccc(cc1)CCCCNCc2cocn2 270004a_100015280158_100000050382 [0,0,1,0,0,1|1,0,0]=3 5049 B18R2.2526 c1ccc(cc1)CCCCNCc2cscn2 207a_100015280158_100000743575 [0,0,1,0,0,1|1,0,0]=3 5050 B18R2.2526 c1ccc(cc1)CCCCNCc2cscn2 2230a_100015185402_100000701786 [0,0,1,0,0,1|1,0,0]=3 5051 B18R2.2526 c1ccc(cc1)CCCCNCc2cscn2 2230a_100015280158_100000205941 [0,0,1,0,0,1|1,0,0]=3 5052 B18R2.2526 c1ccc(cc1)CCCCNCc2cscn2 270004a_100015280158_100000743575 [0,0,1,0,0,1|1,0,0]=3 5053 B18R2.2526 c1ccc(cc1)CCCCNCc2cscn2 34a_100015280158_100000205941 [0,0,1,0,0,1|1,0,0]=3 5054 B18R2.2526 c1ccc(cc1)CCCCNCc2csnn2 270004a_100015280158_100000738508 [0,0,1,0,0,1|2,0,0]=4 5055 B18R2.2526 c1ccc(cc1)CCCCNCc2ncc[nH]2 207a_100015280158_100000743867 [0,0,1,0,0,1|2,0,0]=4 5056 B18R2.2526 c1ccc(cc1)CCCCNCc2ncc[nH]2 2230a_100015280158_100016991755 [0,0,1,0,0,1|2,0,0]=4 5057 B18R2.2526 c1ccc(cc1)CCCCNCc2ncc[nH]2 34a_100015280158_100016991755 [0,0,1,0,0,1|2,0,0]=4 5058 B18R2.2526 c1ccc(cc1)CCCCNCc2ncco2 2230a_100015280158_103436540062 [0,0,1,0,0,1|2,0,0]=4 5059 B18R2.2526 c1ccc(cc1)CCCCNCc2ncco2 2230a_100016994969_100000701786 [0,0,1,0,0,1|2,0,0]=4 5060 B18R2.2526 c1ccc(cc1)CCCCNCc2ncco2 270004a_100015280158_100000064290 [0,0,1,0,0,1|2,0,0]=4 5061 B18R2.2526 c1ccc(cc1)CCCCNCc2ncco2 34a_100015280158_103436540062 [0,0,1,0,0,1|2,0,0]=4 5062 B18R2.2526 c1ccc(cc1)CCCCNCc2nccs2 207a_100015280158_100000750902 [0,0,1,0,0,1|2,0,0]=4 5063 B18R2.2526 c1ccc(cc1)CCCCNCc2nccs2 2230a_100000740555_100000701786 [0,0,1,0,0,1|2,0,0]=4 5064 B18R2.2526 c1ccc(cc1)CCCCNCc2nccs2 2230a_100015280158_100015184050 [0,0,1,0,0,1|2,0,0]=4 5065 B18R2.2526 c1ccc(cc1)CCCCNCc2nccs2 270004a_100015280158_100000750902 [0,0,1,0,0,1|2,0,0]=4 5066 B18R2.2526 c1ccc(cc1)CCCCNCc2nccs2 34a_100015280158_100015184050 [0,0,1,0,0,1|2,0,0]=4 5067 B18R2.2526 c1ccc(cc1)CCCCNCc2ncon2 34a_100015280158_100000233494 [0,0,1,0,0,1|2,0,0]=4 5068 B18R2.2526 c1ccc(cc1)CCCCNCn2cncn2 2230a_100015280158_200020645497 [0,0,1,0,0,1|1,0,1]=4 5069 B18R2.2526 c1ccc(cc1)CCCCNCn2cncn2 34a_100015280158_200020645497 [0,0,1,0,0,1|1,0,1]=4 5070 B18R2.2526 c1ccc(cc1)CCCCOCc2c[nH]cn2 34a_100000703073_100000707719 [0,0,1,0,0,1|1,0,0]=3 5071 B18R2.2526 c1ccc(cc1)CCCCOCc2cscn2 34a_100000703073_100000205941 [0,0,1,0,0,1|2,0,0]=4 5072 B18R2.2526 c1ccc(cc1)CCCCOCc2cscn2 7a_100000703073_100000205941 [0,0,1,0,0,1|2,0,0]=4 5073 B18R2.2526 c1ccc(cc1)CCCCSCc2c[nH]cn2 62a_100000701786_100000707719 [0,0,1,0,0,1|1,0,0]=3 5074 B18R2.2526 c1ccc(cc1)CCCCSCc2c[nH]cn2 62a_100000707719_100000701786 [0,0,1,0,0,1|1,0,0]=3 5075 B18R2.2526 c1ccc(cc1)CCCCSCc2cscn2 62a_100000205941_100000701786 [0,0,1,0,0,1|2,0,0]=4 5076 B18R2.2526 c1ccc(cc1)CCCCSCc2cscn2 62a_100000701786_100000205941 [0,0,1,0,0,1|2,0,0]=4 5077 B18R2.2526 c1ccc(cc1)CCCNCCc2c[nH]cn2 2230a_100000211184_100020628418 [0,0,1,0,0,1|0,0,0]=2 5078 B18R2.2526 c1ccc(cc1)CCCNCCc2ccco2 2230a_100000694680_100000211621 [0,0,1,0,0,1|2,0,0]=4 5079 B18R2.2526 c1ccc(cc1)CCCNCCc2ccco2 34a_100000694680_100000211621 [0,0,1,0,0,1|2,0,0]=4 5080 B18R2.2526 c1ccc(cc1)CCCNCCc2cccs2 2230a_100000203755_100000211621 [0,0,1,0,0,1|2,0,0]=4 5081 B18R2.2526 c1ccc(cc1)CCCNCCc2cccs2 2230a_100000211184_100000748579 [0,0,1,0,0,1|2,0,0]=4 5082 B18R2.2526 c1ccc(cc1)CCCNCCc2cccs2 34a_100000203755_100000211621 [0,0,1,0,0,1|2,0,0]=4 5083 B18R2.2526 c1ccc(cc1)CCCNCCc2cccs2 34a_100000211184_100000748579 [0,0,1,0,0,1|2,0,0]=4 5084 B18R2.2526 c1ccc(cc1)CCCNCCc2ccsc2 2230a_100000692642_100000211621 [0,0,1,0,0,1|2,0,0]=4 5085 B18R2.2526 c1ccc(cc1)CCCNCCc2ccsc2 34a_100000692642_100000211621 [0,0,1,0,0,1|2,0,0]=4 5086 B18R2.2526 c1ccc(cc1)CCCNCCc2cn[nH]c2 2230a_100000211184_100000743252 [0,0,1,0,0,1|2,0,0]=4 5087 B18R2.2526 c1ccc(cc1)CCCNCCc2cn[nH]c2 2230a_100000732747_100000211621 [0,0,1,0,0,1|2,0,0]=4 5088 B18R2.2526 c1ccc(cc1)CCCNCCc2cncs2 2230a_100016991637_100000211621 [0,0,1,0,0,1|1,0,1]=4 5089 B18R2.2526 c1ccc(cc1)CCCNCCc2nccs2 2230a_100015186391_100000211621 [0,0,1,0,0,1|2,0,0]=4 5090 B18R2.2526 c1ccc(cc1)CCCNCCn2cccn2 2230a_100000211184_100000685285 [0,0,1,0,0,1|2,0,0]=4 5091 B18R2.2526 c1ccc(cc1)CCCNCCn2cccn2 2230a_100011200920_100000211621 [0,0,1,0,0,1|2,0,0]=4 5092 B18R2.2526 c1ccc(cc1)CCCNCCn2cccn2 34a_100000211184_100015204718 [0,0,1,0,0,1|2,0,0]=4 5093 B18R2.2526 c1ccc(cc1)CCCNCCn2cncn2 2230a_100000211184_100000731791 [0,0,1,0,0,1|1,0,1]=4 5094 B18R2.2526 c1ccc(cc1)CCCNCCn2cncn2 2230a_200000738561_100000211621 [0,0,1,0,0,1|1,0,1]=4 5095 B18R2.2526 c1ccc(cc1)CCCNCCn2cncn2 34a_100000211184_200000749826 [0,0,1,0,0,1|1,0,1]=4 5096 B18R2.2526 c1ccc(cc1)CCCOCCc2c[nH]cn2 7a_100000210828_100020628418 [0,0,1,0,0,1|1,0,0]=3 5097 B18R2.2526 c1ccc(cc1)CCCSCCc2c[nH]cn2 62a_100000211621_100020628418 [0,0,1,0,0,1|1,0,0]=3 5098 B18R2.2526 c1ccc(cc1)CCCSCCc2c[nH]cn2 62a_100020628418_100000211621 [0,0,1,0,0,1|1,0,0]=3 5099 B18R2.2526 c1ccc(cc1)CNCCOCc2c[nH]cn2 34a_100000180844_100000707719 [0,0,1,0,0,1|1,0,0]=3 5100 B18R2.2526 c1ccc(cc1)CNCCOCc2cscn2 34a_100000180844_100000205941 [0,0,1,0,0,1|2,0,0]=4 5101 B18R2.2526 c1ccc(cc1)COCCCSc2c[nH]cn2 62a_100000756875_100011215529 [0,0,1,0,0,1|2,0,0]=4 5102 B18R2.2526 c1ccc(cc1)COCCCSc2c[nH]cn2 62a_100011215529_100000756875 [0,0,1,0,0,1|2,0,0]=4 5103 B18R2.2526 c1ccc(cc1)COCCNCc2c[nH]cn2 2230a_100000753106_100000707719 [0,0,1,0,0,1|0,0,0]=2 5104 B18R2.2526 c1ccc(cc1)COCCNCc2c[nH]cn2 34a_100000753106_100000707719 [0,0,1,0,0,1|0,0,0]=2 5105 B18R2.2526 c1ccc(cc1)COCCNCc2cc[nH]n2 207a_100000753106_100000738523 [0,0,1,0,0,1|2,0,0]=4 5106 B18R2.2526 c1ccc(cc1)COCCNCc2cc[nH]n2 270004a_100000753106_100000738523 [0,0,1,0,0,1|2,0,0]=4 5107 B18R2.2526 c1ccc(cc1)COCCNCc2ccco2 207a_100000753106_100000186105 [0,0,1,0,0,1|2,0,0]=4 5108 B18R2.2526 c1ccc(cc1)COCCNCc2ccco2 2230a_100000185738_100000234347 [0,0,1,0,0,1|2,0,0]=4 5109 B18R2.2526 c1ccc(cc1)COCCNCc2ccco2 270004a_100000753106_100000186105 [0,0,1,0,0,1|2,0,0]=4 5110 B18R2.2526 c1ccc(cc1)COCCNCc2ccco2 34a_100000185738_100000234347 [0,0,1,0,0,1|2,0,0]=4 5111 B18R2.2526 c1ccc(cc1)COCCNCc2cccs2 207a_100000753106_100000209959 [0,0,1,0,0,1|2,0,0]=4 5112 B18R2.2526 c1ccc(cc1)COCCNCc2cccs2 2230a_100000211653_100000234347 [0,0,1,0,0,1|2,0,0]=4 5113 B18R2.2526 c1ccc(cc1)COCCNCc2cccs2 270004a_100000753106_100000209959 [0,0,1,0,0,1|2,0,0]=4 5114 B18R2.2526 c1ccc(cc1)COCCNCc2ccoc2 207a_100000753106_100011215517 [0,0,1,0,0,1|2,0,0]=4 5115 B18R2.2526 c1ccc(cc1)COCCNCc2ccoc2 2230a_100015206860_100000234347 [0,0,1,0,0,1|2,0,0]=4 5116 B18R2.2526 c1ccc(cc1)COCCNCc2ccoc2 270004a_100000753106_100011215517 [0,0,1,0,0,1|2,0,0]=4 5117 B18R2.2526 c1ccc(cc1)COCCNCc2ccoc2 34a_100015206860_100000234347 [0,0,1,0,0,1|2,0,0]=4 5118 B18R2.2526 c1ccc(cc1)COCCNCc2ccon2 2230a_100000753106_100000234950 [0,0,1,0,0,1|2,0,0]=4 5119 B18R2.2526 c1ccc(cc1)COCCNCc2ccon2 34a_100000753106_100000234950 [0,0,1,0,0,1|2,0,0]=4 5120 B18R2.2526 c1ccc(cc1)COCCNCc2ccsc2 207a_100000753106_100000188534 [0,0,1,0,0,1|2,0,0]=4 5121 B18R2.2526 c1ccc(cc1)COCCNCc2ccsc2 2230a_100000186416_100000234347 [0,0,1,0,0,1|2,0,0]=4 5122 B18R2.2526 c1ccc(cc1)COCCNCc2ccsc2 2230a_100000753106_100011261437 [0,0,1,0,0,1|2,0,0]=4 5123 B18R2.2526 c1ccc(cc1)COCCNCc2ccsc2 270004a_100000753106_100000188534 [0,0,1,0,0,1|2,0,0]=4 5124 B18R2.2526 c1ccc(cc1)COCCNCc2ccsc2 34a_100000186416_100000234347 [0,0,1,0,0,1|2,0,0]=4 5125 B18R2.2526 c1ccc(cc1)COCCNCc2ccsc2 34a_100000753106_100011261437 [0,0,1,0,0,1|2,0,0]=4 5126 B18R2.2526 c1ccc(cc1)COCCNCc2cn[nH]c2 207a_100000753106_100016992096 [0,0,1,0,0,1|2,0,0]=4 5127 B18R2.2526 c1ccc(cc1)COCCNCc2cn[nH]c2 270004a_100000753106_100016992096 [0,0,1,0,0,1|2,0,0]=4 5128 B18R2.2526 c1ccc(cc1)COCCNCc2cnc[nH]2 207a_100000753106_100000742939 [0,0,1,0,0,1|0,0,2]=4 5129 B18R2.2526 c1ccc(cc1)COCCNCc2cnco2 270004a_100000753106_100000064291 [0,0,1,0,0,1|1,0,1]=4 5130 B18R2.2526 c1ccc(cc1)COCCNCc2cncs2 207a_100000753106_100000749870 [0,0,1,0,0,1|1,0,1]=4 5131 B18R2.2526 c1ccc(cc1)COCCNCc2cncs2 2230a_100000753106_100015185245 [0,0,1,0,0,1|1,0,1]=4 5132 B18R2.2526 c1ccc(cc1)COCCNCc2cncs2 2230a_100016987365_100000234347 [0,0,1,0,0,1|1,0,1]=4 5133 B18R2.2526 c1ccc(cc1)COCCNCc2cncs2 270004a_100000753106_100000749870 [0,0,1,0,0,1|1,0,1]=4 5134 B18R2.2526 c1ccc(cc1)COCCNCc2cncs2 34a_100000753106_100015185245 [0,0,1,0,0,1|1,0,1]=4 5135 B18R2.2526 c1ccc(cc1)COCCNCc2cocn2 270004a_100000753106_100000050382 [0,0,1,0,0,1|1,0,0]=3 5136 B18R2.2526 c1ccc(cc1)COCCNCc2cscn2 207a_100000753106_100000743575 [0,0,1,0,0,1|1,0,0]=3 5137 B18R2.2526 c1ccc(cc1)COCCNCc2cscn2 2230a_100000753106_100000205941 [0,0,1,0,0,1|1,0,0]=3 5138 B18R2.2526 c1ccc(cc1)COCCNCc2cscn2 2230a_100015185402_100000234347 [0,0,1,0,0,1|1,0,0]=3 5139 B18R2.2526 c1ccc(cc1)COCCNCc2cscn2 270004a_100000753106_100000743575 [0,0,1,0,0,1|1,0,0]=3 5140 B18R2.2526 c1ccc(cc1)COCCNCc2cscn2 34a_100000753106_100000205941 [0,0,1,0,0,1|1,0,0]=3 5141 B18R2.2526 c1ccc(cc1)COCCNCc2csnn2 270004a_100000753106_100000738508 [0,0,1,0,0,1|2,0,0]=4 5142 B18R2.2526 c1ccc(cc1)COCCNCc2ncc[nH]2 207a_100000753106_100000743867 [0,0,1,0,0,1|2,0,0]=4 5143 B18R2.2526 c1ccc(cc1)COCCNCc2ncc[nH]2 2230a_100000753106_100016991755 [0,0,1,0,0,1|2,0,0]=4 5144 B18R2.2526 c1ccc(cc1)COCCNCc2ncc[nH]2 34a_100000753106_100016991755 [0,0,1,0,0,1|2,0,0]=4 5145 B18R2.2526 c1ccc(cc1)COCCNCc2ncco2 2230a_100000753106_103436540062 [0,0,1,0,0,1|2,0,0]=4 5146 B18R2.2526 c1ccc(cc1)COCCNCc2ncco2 2230a_100016994969_100000234347 [0,0,1,0,0,1|2,0,0]=4 5147 B18R2.2526 c1ccc(cc1)COCCNCc2ncco2 270004a_100000753106_100000064290 [0,0,1,0,0,1|2,0,0]=4 5148 B18R2.2526 c1ccc(cc1)COCCNCc2ncco2 34a_100000753106_103436540062 [0,0,1,0,0,1|2,0,0]=4 5149 B18R2.2526 c1ccc(cc1)COCCNCc2nccs2 207a_100000753106_100000750902 [0,0,1,0,0,1|2,0,0]=4 5150 B18R2.2526 c1ccc(cc1)COCCNCc2nccs2 2230a_100000740555_100000234347 [0,0,1,0,0,1|2,0,0]=4 5151 B18R2.2526 c1ccc(cc1)COCCNCc2nccs2 2230a_100000753106_100015184050 [0,0,1,0,0,1|2,0,0]=4 5152 B18R2.2526 c1ccc(cc1)COCCNCc2nccs2 270004a_100000753106_100000750902 [0,0,1,0,0,1|2,0,0]=4 5153 B18R2.2526 c1ccc(cc1)COCCNCc2nccs2 34a_100000753106_100015184050 [0,0,1,0,0,1|2,0,0]=4 5154 B18R2.2526 c1ccc(cc1)COCCNCc2ncon2 34a_100000753106_100000233494 [0,0,1,0,0,1|2,0,0]=4 5155 B18R2.2526 c1ccc(cc1)COCCNCn2cncn2 2230a_100000753106_200020645497 [0,0,1,0,0,1|1,0,1]=4 5156 B18R2.2526 c1ccc(cc1)COCCNCn2cncn2 34a_100000753106_200020645497 [0,0,1,0,0,1|1,0,1]=4 5157 B18R2.2526 c1ccc(cc1)COCCOCc2c[nH]cn2 34a_100000759325_100000707719 [0,0,1,0,0,1|1,0,0]=3 5158 B18R2.2526 c1ccc(cc1)COCCOCc2cscn2 34a_100000759325_100000205941 [0,0,1,0,0,1|2,0,0]=4 5159 B18R2.2526 c1ccc(cc1)COCCOCc2cscn2 7a_100000759325_100000205941 [0,0,1,0,0,1|2,0,0]=4 5160 B18R2.2526 c1ccc(cc1)COCCSCc2c[nH]cn2 62a_100000234347_100000707719 [0,0,1,0,0,1|1,0,0]=3 5161 B18R2.2526 c1ccc(cc1)COCCSCc2c[nH]cn2 62a_100000707719_100000234347 [0,0,1,0,0,1|1,0,0]=3 5162 B18R2.2526 c1ccc(cc1)COCCSCc2cscn2 62a_100000205941_100000234347 [0,0,1,0,0,1|2,0,0]=4 5163 B18R2.2526 c1ccc(cc1)COCCSCc2cscn2 62a_100000234347_100000205941 [0,0,1,0,0,1|2,0,0]=4 5164 B18R2.2526 c1ccc(cc1)COCSCCc2c[nH]cn2 62a_100000763385_100020628418 [0,0,1,0,0,1|2,0,0]=4 5165 B18R2.2526 c1ccc(cc1)COCSCCc2c[nH]cn2 62a_100020628418_100000763385 [0,0,1,0,0,1|2,0,0]=4 5166 B18R2.2526 c1ccc(cc1)CSCCNCc2c[nH]cn2 2230a_100000189534_100000707719 [0,0,1,0,0,1|0,0,0]=2 5167 B18R2.2526 c1ccc(cc1)CSCCNCc2c[nH]cn2 34a_100000189534_100000707719 [0,0,1,0,0,1|0,0,0]=2 5168 B18R2.2526 c1ccc(cc1)CSCCNCc2cc[nH]n2 207a_100000189534_100000738523 [0,0,1,0,0,1|2,0,0]=4 5169 B18R2.2526 c1ccc(cc1)CSCCNCc2cc[nH]n2 270004a_100000189534_100000738523 [0,0,1,0,0,1|2,0,0]=4 5170 B18R2.2526 c1ccc(cc1)CSCCNCc2ccco2 207a_100000189534_100000186105 [0,0,1,0,0,1|2,0,0]=4 5171 B18R2.2526 c1ccc(cc1)CSCCNCc2ccco2 2230a_100000185738_200011297719 [0,0,1,0,0,1|2,0,0]=4 5172 B18R2.2526 c1ccc(cc1)CSCCNCc2ccco2 270004a_100000189534_100000186105 [0,0,1,0,0,1|2,0,0]=4 5173 B18R2.2526 c1ccc(cc1)CSCCNCc2ccco2 34a_100000185738_200011297719 [0,0,1,0,0,1|2,0,0]=4 5174 B18R2.2526 c1ccc(cc1)CSCCNCc2cccs2 207a_100000189534_100000209959 [0,0,1,0,0,1|2,0,0]=4 5175 B18R2.2526 c1ccc(cc1)CSCCNCc2cccs2 2230a_100000211653_200011297719 [0,0,1,0,0,1|2,0,0]=4 5176 B18R2.2526 c1ccc(cc1)CSCCNCc2cccs2 270004a_100000189534_100000209959 [0,0,1,0,0,1|2,0,0]=4 5177 B18R2.2526 c1ccc(cc1)CSCCNCc2ccoc2 207a_100000189534_100011215517 [0,0,1,0,0,1|2,0,0]=4 5178 B18R2.2526 c1ccc(cc1)CSCCNCc2ccoc2 2230a_100015206860_200011297719 [0,0,1,0,0,1|2,0,0]=4 5179 B18R2.2526 c1ccc(cc1)CSCCNCc2ccoc2 270004a_100000189534_100011215517 [0,0,1,0,0,1|2,0,0]=4 5180 B18R2.2526 c1ccc(cc1)CSCCNCc2ccoc2 34a_100015206860_200011297719 [0,0,1,0,0,1|2,0,0]=4 5181 B18R2.2526 c1ccc(cc1)CSCCNCc2ccon2 2230a_100000189534_100000234950 [0,0,1,0,0,1|2,0,0]=4 5182 B18R2.2526 c1ccc(cc1)CSCCNCc2ccon2 34a_100000189534_100000234950 [0,0,1,0,0,1|2,0,0]=4 5183 B18R2.2526 c1ccc(cc1)CSCCNCc2ccon2 7a_100000189534_100000234950 [0,0,1,0,0,1|2,0,0]=4 5184 B18R2.2526 c1ccc(cc1)CSCCNCc2ccsc2 207a_100000189534_100000188534 [0,0,1,0,0,1|2,0,0]=4 5185 B18R2.2526 c1ccc(cc1)CSCCNCc2ccsc2 2230a_100000186416_200011297719 [0,0,1,0,0,1|2,0,0]=4 5186 B18R2.2526 c1ccc(cc1)CSCCNCc2ccsc2 2230a_100000189534_100011261437 [0,0,1,0,0,1|2,0,0]=4 5187 B18R2.2526 c1ccc(cc1)CSCCNCc2ccsc2 270004a_100000189534_100000188534 [0,0,1,0,0,1|2,0,0]=4 5188 B18R2.2526 c1ccc(cc1)CSCCNCc2ccsc2 34a_100000186416_200011297719 [0,0,1,0,0,1|2,0,0]=4 5189 B18R2.2526 c1ccc(cc1)CSCCNCc2ccsc2 34a_100000189534_100011261437 [0,0,1,0,0,1|2,0,0]=4 5190 B18R2.2526 c1ccc(cc1)CSCCNCc2ccsc2 7a_100000189534_100011261437 [0,0,1,0,0,1|2,0,0]=4 5191 B18R2.2526 c1ccc(cc1)CSCCNCc2cn[nH]c2 207a_100000189534_100016992096 [0,0,1,0,0,1|2,0,0]=4 5192 B18R2.2526 c1ccc(cc1)CSCCNCc2cn[nH]c2 270004a_100000189534_100016992096 [0,0,1,0,0,1|2,0,0]=4 5193 B18R2.2526 c1ccc(cc1)CSCCNCc2cnc[nH]2 207a_100000189534_100000742939 [0,0,1,0,0,1|0,0,2]=4 5194 B18R2.2526 c1ccc(cc1)CSCCNCc2cnco2 270004a_100000189534_100000064291 [0,0,1,0,0,1|1,0,1]=4 5195 B18R2.2526 c1ccc(cc1)CSCCNCc2cncs2 207a_100000189534_100000749870 [0,0,1,0,0,1|1,0,1]=4 5196 B18R2.2526 c1ccc(cc1)CSCCNCc2cncs2 2230a_100000189534_100015185245 [0,0,1,0,0,1|1,0,1]=4 5197 B18R2.2526 c1ccc(cc1)CSCCNCc2cncs2 2230a_100016987365_200011297719 [0,0,1,0,0,1|1,0,1]=4 5198 B18R2.2526 c1ccc(cc1)CSCCNCc2cncs2 270004a_100000189534_100000749870 [0,0,1,0,0,1|1,0,1]=4 5199 B18R2.2526 c1ccc(cc1)CSCCNCc2cncs2 34a_100000189534_100015185245 [0,0,1,0,0,1|1,0,1]=4 5200 B18R2.2526 c1ccc(cc1)CSCCNCc2cncs2 7a_100000189534_100015185245 [0,0,1,0,0,1|1,0,1]=4 5201 B18R2.2526 c1ccc(cc1)CSCCNCc2cocn2 270004a_100000189534_100000050382 [0,0,1,0,0,1|1,0,0]=3 5202 B18R2.2526 c1ccc(cc1)CSCCNCc2cscn2 207a_100000189534_100000743575 [0,0,1,0,0,1|1,0,0]=3 5203 B18R2.2526 c1ccc(cc1)CSCCNCc2cscn2 2230a_100000189534_100000205941 [0,0,1,0,0,1|1,0,0]=3 5204 B18R2.2526 c1ccc(cc1)CSCCNCc2cscn2 2230a_100015185402_200011297719 [0,0,1,0,0,1|1,0,0]=3 5205 B18R2.2526 c1ccc(cc1)CSCCNCc2cscn2 270004a_100000189534_100000743575 [0,0,1,0,0,1|1,0,0]=3 5206 B18R2.2526 c1ccc(cc1)CSCCNCc2cscn2 34a_100000189534_100000205941 [0,0,1,0,0,1|1,0,0]=3 5207 B18R2.2526 c1ccc(cc1)CSCCNCc2cscn2 7a_100000189534_100000205941 [0,0,1,0,0,1|1,0,0]=3 5208 B18R2.2526 c1ccc(cc1)CSCCNCc2csnn2 270004a_100000189534_100000738508 [0,0,1,0,0,1|2,0,0]=4 5209 B18R2.2526 c1ccc(cc1)CSCCNCc2ncc[nH]2 207a_100000189534_100000743867 [0,0,1,0,0,1|2,0,0]=4 5210 B18R2.2526 c1ccc(cc1)CSCCNCc2ncc[nH]2 2230a_100000189534_100016991755 [0,0,1,0,0,1|2,0,0]=4 5211 B18R2.2526 c1ccc(cc1)CSCCNCc2ncc[nH]2 34a_100000189534_100016991755 [0,0,1,0,0,1|2,0,0]=4 5212 B18R2.2526 c1ccc(cc1)CSCCNCc2ncc[nH]2 7a_100000189534_100000753453 [0,0,1,0,0,1|2,0,0]=4 5213 B18R2.2526 c1ccc(cc1)CSCCNCc2ncco2 2230a_100000189534_103436540062 [0,0,1,0,0,1|2,0,0]=4 5214 B18R2.2526 c1ccc(cc1)CSCCNCc2ncco2 2230a_100016994969_200011297719 [0,0,1,0,0,1|2,0,0]=4 5215 B18R2.2526 c1ccc(cc1)CSCCNCc2ncco2 270004a_100000189534_100000064290 [0,0,1,0,0,1|2,0,0]=4 5216 B18R2.2526 c1ccc(cc1)CSCCNCc2ncco2 34a_100000189534_103436540062 [0,0,1,0,0,1|2,0,0]=4 5217 B18R2.2526 c1ccc(cc1)CSCCNCc2ncco2 7a_100000189534_103436540062 [0,0,1,0,0,1|2,0,0]=4 5218 B18R2.2526 c1ccc(cc1)CSCCNCc2nccs2 207a_100000189534_100000750902 [0,0,1,0,0,1|2,0,0]=4 5219 B18R2.2526 c1ccc(cc1)CSCCNCc2nccs2 2230a_100000189534_100015184050 [0,0,1,0,0,1|2,0,0]=4 5220 B18R2.2526 c1ccc(cc1)CSCCNCc2nccs2 2230a_100000740555_200011297719 [0,0,1,0,0,1|2,0,0]=4 5221 B18R2.2526 c1ccc(cc1)CSCCNCc2nccs2 270004a_100000189534_100000750902 [0,0,1,0,0,1|2,0,0]=4 5222 B18R2.2526 c1ccc(cc1)CSCCNCc2nccs2 34a_100000189534_100015184050 [0,0,1,0,0,1|2,0,0]=4 5223 B18R2.2526 c1ccc(cc1)CSCCNCc2nccs2 7a_100000189534_100015184050 [0,0,1,0,0,1|2,0,0]=4 5224 B18R2.2526 c1ccc(cc1)CSCCNCc2ncon2 34a_100000189534_100000233494 [0,0,1,0,0,1|2,0,0]=4 5225 B18R2.2526 c1ccc(cc1)CSCCNCn2cncn2 2230a_100000189534_200020645497 [0,0,1,0,0,1|1,0,1]=4 5226 B18R2.2526 c1ccc(cc1)CSCCNCn2cncn2 34a_100000189534_200020645497 [0,0,1,0,0,1|1,0,1]=4 5227 B18R2.2526 c1ccc(cc1)CSCCNCn2cncn2 7a_100000189534_200020645497 [0,0,1,0,0,1|1,0,1]=4 5228 B18R2.2526 c1ccc(cc1)CSCCOCc2c[nH]cn2 34a_100011205989_100000707719 [0,0,1,0,0,1|1,0,0]=3 5229 B18R2.2526 c1ccc(cc1)CSCCOCc2cscn2 34a_100011205989_100000205941 [0,0,1,0,0,1|2,0,0]=4 5230 B18R2.2526 c1ccc(cc1)CSCCOCc2cscn2 7a_100011205989_100000205941 [0,0,1,0,0,1|2,0,0]=4 5231 B18R2.2526 c1ccc(cc1)CSCCSCc2c[nH]cn2 62a_100000707719_200011297719 [0,0,1,0,0,1|1,0,0]=3 5232 B18R2.2526 c1ccc(cc1)CSCCSCc2c[nH]cn2 62a_200011297719_100000707719 [0,0,1,0,0,1|1,0,0]=3 5233 B18R2.2526 c1ccc(cc1)CSCCSCc2cscn2 62a_100000205941_200011297719 [0,0,1,0,0,1|2,0,0]=4 5234 B18R2.2526 c1ccc(cc1)CSCCSCc2cscn2 62a_200011297719_100000205941 [0,0,1,0,0,1|2,0,0]=4 5235 B18R2.2526 c1ccc(cc1)CSCSCCc2c[nH]cn2 62a_100020628418_200011217039 [0,0,1,0,0,1|2,0,0]=4 5236 B18R2.2526 c1ccc(cc1)CSCSCCc2c[nH]cn2 62a_200011217039_100020628418 [0,0,1,0,0,1|2,0,0]=4 5237 B18R2.2526 c1ccc(cc1)NCCCOCc2c[nH]cn2 34a_100000212590_100000707719 [0,0,1,0,0,1|1,0,0]=3 5238 B18R2.2526 c1ccc(cc1)NCCCOCc2cscn2 34a_100000212590_100000205941 [0,0,1,0,0,1|2,0,0]=4 5239 B18R2.2526 c1ccc(cc1)OCCCCSc2c[nH]cn2 62a_100000756875_100011215240 [0,0,1,0,0,1|2,0,0]=4 5240 B18R2.2526 c1ccc(cc1)OCCCCSc2c[nH]cn2 62a_100011215240_100000756875 [0,0,1,0,0,1|2,0,0]=4 5241 B18R2.2526 c1ccc(cc1)OCCCNCc2c[nH]cn2 2230a_100000216521_100000707719 [0,0,1,0,0,1|0,0,0]=2 5242 B18R2.2526 c1ccc(cc1)OCCCNCc2c[nH]cn2 34a_100000216521_100000707719 [0,0,1,0,0,1|0,0,0]=2 5243 B18R2.2526 c1ccc(cc1)OCCCNCc2cc[nH]n2 207a_100000216521_100000738523 [0,0,1,0,0,1|2,0,0]=4 5244 B18R2.2526 c1ccc(cc1)OCCCNCc2cc[nH]n2 270004a_100000216521_100000738523 [0,0,1,0,0,1|2,0,0]=4 5245 B18R2.2526 c1ccc(cc1)OCCCNCc2ccco2 207a_100000216521_100000186105 [0,0,1,0,0,1|2,0,0]=4 5246 B18R2.2526 c1ccc(cc1)OCCCNCc2ccco2 2230a_100000185738_100000199009 [0,0,1,0,0,1|2,0,0]=4 5247 B18R2.2526 c1ccc(cc1)OCCCNCc2ccco2 270004a_100000216521_100000186105 [0,0,1,0,0,1|2,0,0]=4 5248 B18R2.2526 c1ccc(cc1)OCCCNCc2ccco2 34a_100000185738_100000199009 [0,0,1,0,0,1|2,0,0]=4 5249 B18R2.2526 c1ccc(cc1)OCCCNCc2cccs2 207a_100000216521_100000209959 [0,0,1,0,0,1|2,0,0]=4 5250 B18R2.2526 c1ccc(cc1)OCCCNCc2cccs2 2230a_100000211653_100000199009 [0,0,1,0,0,1|2,0,0]=4 5251 B18R2.2526 c1ccc(cc1)OCCCNCc2cccs2 270004a_100000216521_100000209959 [0,0,1,0,0,1|2,0,0]=4 5252 B18R2.2526 c1ccc(cc1)OCCCNCc2ccoc2 207a_100000216521_100011215517 [0,0,1,0,0,1|2,0,0]=4 5253 B18R2.2526 c1ccc(cc1)OCCCNCc2ccoc2 2230a_100015206860_100000199009 [0,0,1,0,0,1|2,0,0]=4 5254 B18R2.2526 c1ccc(cc1)OCCCNCc2ccoc2 270004a_100000216521_100011215517 [0,0,1,0,0,1|2,0,0]=4 5255 B18R2.2526 c1ccc(cc1)OCCCNCc2ccoc2 34a_100015206860_100000199009 [0,0,1,0,0,1|2,0,0]=4 5256 B18R2.2526 c1ccc(cc1)OCCCNCc2ccon2 2230a_100000216521_100000234950 [0,0,1,0,0,1|2,0,0]=4 5257 B18R2.2526 c1ccc(cc1)OCCCNCc2ccon2 34a_100000216521_100000234950 [0,0,1,0,0,1|2,0,0]=4 5258 B18R2.2526 c1ccc(cc1)OCCCNCc2ccsc2 207a_100000216521_100000188534 [0,0,1,0,0,1|2,0,0]=4 5259 B18R2.2526 c1ccc(cc1)OCCCNCc2ccsc2 2230a_100000186416_100000199009 [0,0,1,0,0,1|2,0,0]=4 5260 B18R2.2526 c1ccc(cc1)OCCCNCc2ccsc2 2230a_100000216521_100011261437 [0,0,1,0,0,1|2,0,0]=4 5261 B18R2.2526 c1ccc(cc1)OCCCNCc2ccsc2 270004a_100000216521_100000188534 [0,0,1,0,0,1|2,0,0]=4 5262 B18R2.2526 c1ccc(cc1)OCCCNCc2ccsc2 34a_100000186416_100000199009 [0,0,1,0,0,1|2,0,0]=4 5263 B18R2.2526 c1ccc(cc1)OCCCNCc2ccsc2 34a_100000216521_100011261437 [0,0,1,0,0,1|2,0,0]=4 5264 B18R2.2526 c1ccc(cc1)OCCCNCc2cn[nH]c2 207a_100000216521_100016992096 [0,0,1,0,0,1|2,0,0]=4 5265 B18R2.2526 c1ccc(cc1)OCCCNCc2cn[nH]c2 270004a_100000216521_100016992096 [0,0,1,0,0,1|2,0,0]=4 5266 B18R2.2526 c1ccc(cc1)OCCCNCc2cnc[nH]2 207a_100000216521_100000742939 [0,0,1,0,0,1|0,0,2]=4 5267 B18R2.2526 c1ccc(cc1)OCCCNCc2cnco2 270004a_100000216521_100000064291 [0,0,1,0,0,1|1,0,1]=4 5268 B18R2.2526 c1ccc(cc1)OCCCNCc2cncs2 207a_100000216521_100000749870 [0,0,1,0,0,1|1,0,1]=4 5269 B18R2.2526 c1ccc(cc1)OCCCNCc2cncs2 2230a_100000216521_100015185245 [0,0,1,0,0,1|1,0,1]=4 5270 B18R2.2526 c1ccc(cc1)OCCCNCc2cncs2 2230a_100016987365_100000199009 [0,0,1,0,0,1|1,0,1]=4 5271 B18R2.2526 c1ccc(cc1)OCCCNCc2cncs2 270004a_100000216521_100000749870 [0,0,1,0,0,1|1,0,1]=4 5272 B18R2.2526 c1ccc(cc1)OCCCNCc2cncs2 34a_100000216521_100015185245 [0,0,1,0,0,1|1,0,1]=4 5273 B18R2.2526 c1ccc(cc1)OCCCNCc2cocn2 270004a_100000216521_100000050382 [0,0,1,0,0,1|1,0,0]=3 5274 B18R2.2526 c1ccc(cc1)OCCCNCc2cscn2 207a_100000216521_100000743575 [0,0,1,0,0,1|1,0,0]=3 5275 B18R2.2526 c1ccc(cc1)OCCCNCc2cscn2 2230a_100000216521_100000205941 [0,0,1,0,0,1|1,0,0]=3 5276 B18R2.2526 c1ccc(cc1)OCCCNCc2cscn2 2230a_100015185402_100000199009 [0,0,1,0,0,1|1,0,0]=3 5277 B18R2.2526 c1ccc(cc1)OCCCNCc2cscn2 270004a_100000216521_100000743575 [0,0,1,0,0,1|1,0,0]=3 5278 B18R2.2526 c1ccc(cc1)OCCCNCc2cscn2 34a_100000216521_100000205941 [0,0,1,0,0,1|1,0,0]=3 5279 B18R2.2526 c1ccc(cc1)OCCCNCc2csnn2 270004a_100000216521_100000738508 [0,0,1,0,0,1|2,0,0]=4 5280 B18R2.2526 c1ccc(cc1)OCCCNCc2ncc[nH]2 207a_100000216521_100000743867 [0,0,1,0,0,1|2,0,0]=4 5281 B18R2.2526 c1ccc(cc1)OCCCNCc2ncc[nH]2 2230a_100000216521_100016991755 [0,0,1,0,0,1|2,0,0]=4 5282 B18R2.2526 c1ccc(cc1)OCCCNCc2ncc[nH]2 34a_100000216521_100016991755 [0,0,1,0,0,1|2,0,0]=4 5283 B18R2.2526 c1ccc(cc1)OCCCNCc2ncco2 2230a_100000216521_103436540062 [0,0,1,0,0,1|2,0,0]=4 5284 B18R2.2526 c1ccc(cc1)OCCCNCc2ncco2 2230a_100016994969_100000199009 [0,0,1,0,0,1|2,0,0]=4 5285 B18R2.2526 c1ccc(cc1)OCCCNCc2ncco2 270004a_100000216521_100000064290 [0,0,1,0,0,1|2,0,0]=4 5286 B18R2.2526 c1ccc(cc1)OCCCNCc2ncco2 34a_100000216521_103436540062 [0,0,1,0,0,1|2,0,0]=4 5287 B18R2.2526 c1ccc(cc1)OCCCNCc2nccs2 207a_100000216521_100000750902 [0,0,1,0,0,1|2,0,0]=4 5288 B18R2.2526 c1ccc(cc1)OCCCNCc2nccs2 2230a_100000216521_100015184050 [0,0,1,0,0,1|2,0,0]=4 5289 B18R2.2526 c1ccc(cc1)OCCCNCc2nccs2 2230a_100000740555_100000199009 [0,0,1,0,0,1|2,0,0]=4 5290 B18R2.2526 c1ccc(cc1)OCCCNCc2nccs2 270004a_100000216521_100000750902 [0,0,1,0,0,1|2,0,0]=4 5291 B18R2.2526 c1ccc(cc1)OCCCNCc2nccs2 34a_100000216521_100015184050 [0,0,1,0,0,1|2,0,0]=4 5292 B18R2.2526 c1ccc(cc1)OCCCNCc2ncon2 34a_100000216521_100000233494 [0,0,1,0,0,1|2,0,0]=4 5293 B18R2.2526 c1ccc(cc1)OCCCNCn2cncn2 2230a_100000216521_200020645497 [0,0,1,0,0,1|1,0,1]=4 5294 B18R2.2526 c1ccc(cc1)OCCCNCn2cncn2 34a_100000216521_200020645497 [0,0,1,0,0,1|1,0,1]=4 5295 B18R2.2526 c1ccc(cc1)OCCCOCc2c[nH]cn2 34a_100011215863_100000707719 [0,0,1,0,0,1|1,0,0]=3 5296 B18R2.2526 c1ccc(cc1)OCCCOCc2cscn2 34a_100011215863_100000205941 [0,0,1,0,0,1|2,0,0]=4 5297 B18R2.2526 c1ccc(cc1)OCCCOCc2cscn2 7a_100011215863_100000205941 [0,0,1,0,0,1|2,0,0]=4 5298 B18R2.2526 c1ccc(cc1)OCCCSCc2c[nH]cn2 62a_100000199009_100000707719 [0,0,1,0,0,1|1,0,0]=3 5299 B18R2.2526 c1ccc(cc1)OCCCSCc2c[nH]cn2 62a_100000707719_100000199009 [0,0,1,0,0,1|1,0,0]=3 5300 B18R2.2526 c1ccc(cc1)OCCCSCc2cscn2 62a_100000199009_100000205941 [0,0,1,0,0,1|2,0,0]=4 5301 B18R2.2526 c1ccc(cc1)OCCCSCc2cscn2 62a_100000205941_100000199009 [0,0,1,0,0,1|2,0,0]=4 5302 B18R2.2526 c1ccc(cc1)OCCNCCc2c[nH]cn2 2230a_100000174943_100020628418 [0,0,1,0,0,1|1,0,0]=3 5303 B18R2.2526 c1ccc(cc1)OCCNCCc2c[nH]cn2 270004a_100000755092_100000758736 [0,0,1,0,0,1|1,0,0]=3 5304 B18R2.2526 c1ccc(cc1)OCCOCCc2c[nH]cn2 7a_100000210260_100020628418 [0,0,1,0,0,1|2,0,0]=4 5305 B18R2.2526 c1ccc(cc1)OCCSCCc2c[nH]cn2 62a_100000184471_100020628418 [0,0,1,0,0,1|2,0,0]=4 5306 B18R2.2526 c1ccc(cc1)OCCSCCc2c[nH]cn2 62a_100020628418_100000184471 [0,0,1,0,0,1|2,0,0]=4 5307 B18R2.2526 c1ccc(cc1)SCCCNCc2c[nH]cn2 2230a_100000184639_100000707719 [0,0,1,0,0,1|0,0,0]=2 5308 B18R2.2526 c1ccc(cc1)SCCCNCc2cc[nH]n2 207a_100000184639_100000738523 [0,0,1,0,0,1|2,0,0]=4 5309 B18R2.2526 c1ccc(cc1)SCCCNCc2cc[nH]n2 270004a_100000184639_100000738523 [0,0,1,0,0,1|2,0,0]=4 5310 B18R2.2526 c1ccc(cc1)SCCCNCc2ccco2 207a_100000184639_100000186105 [0,0,1,0,0,1|2,0,0]=4 5311 B18R2.2526 c1ccc(cc1)SCCCNCc2ccco2 2230a_100000185738_200011203293 [0,0,1,0,0,1|2,0,0]=4 5312 B18R2.2526 c1ccc(cc1)SCCCNCc2ccco2 270004a_100000184639_100000186105 [0,0,1,0,0,1|2,0,0]=4 5313 B18R2.2526 c1ccc(cc1)SCCCNCc2ccco2 34a_100000185738_200011203293 [0,0,1,0,0,1|2,0,0]=4 5314 B18R2.2526 c1ccc(cc1)SCCCNCc2cccs2 207a_100000184639_100000209959 [0,0,1,0,0,1|2,0,0]=4 5315 B18R2.2526 c1ccc(cc1)SCCCNCc2cccs2 2230a_100000211653_200011203293 [0,0,1,0,0,1|2,0,0]=4 5316 B18R2.2526 c1ccc(cc1)SCCCNCc2cccs2 270004a_100000184639_100000209959 [0,0,1,0,0,1|2,0,0]=4 5317 B18R2.2526 c1ccc(cc1)SCCCNCc2ccoc2 207a_100000184639_100011215517 [0,0,1,0,0,1|2,0,0]=4 5318 B18R2.2526 c1ccc(cc1)SCCCNCc2ccoc2 2230a_100015206860_200011203293 [0,0,1,0,0,1|2,0,0]=4 5319 B18R2.2526 c1ccc(cc1)SCCCNCc2ccoc2 270004a_100000184639_100011215517 [0,0,1,0,0,1|2,0,0]=4 5320 B18R2.2526 c1ccc(cc1)SCCCNCc2ccoc2 34a_100015206860_200011203293 [0,0,1,0,0,1|2,0,0]=4 5321 B18R2.2526 c1ccc(cc1)SCCCNCc2ccon2 2230a_100000184639_100000234950 [0,0,1,0,0,1|2,0,0]=4 5322 B18R2.2526 c1ccc(cc1)SCCCNCc2ccsc2 207a_100000184639_100000188534 [0,0,1,0,0,1|2,0,0]=4 5323 B18R2.2526 c1ccc(cc1)SCCCNCc2ccsc2 2230a_100000184639_100011261437 [0,0,1,0,0,1|2,0,0]=4 5324 B18R2.2526 c1ccc(cc1)SCCCNCc2ccsc2 2230a_100000186416_200011203293 [0,0,1,0,0,1|2,0,0]=4 5325 B18R2.2526 c1ccc(cc1)SCCCNCc2ccsc2 270004a_100000184639_100000188534 [0,0,1,0,0,1|2,0,0]=4 5326 B18R2.2526 c1ccc(cc1)SCCCNCc2ccsc2 34a_100000186416_200011203293 [0,0,1,0,0,1|2,0,0]=4 5327 B18R2.2526 c1ccc(cc1)SCCCNCc2cn[nH]c2 207a_100000184639_100016992096 [0,0,1,0,0,1|2,0,0]=4 5328 B18R2.2526 c1ccc(cc1)SCCCNCc2cn[nH]c2 270004a_100000184639_100016992096 [0,0,1,0,0,1|2,0,0]=4 5329 B18R2.2526 c1ccc(cc1)SCCCNCc2cnc[nH]2 207a_100000184639_100000742939 [0,0,1,0,0,1|0,0,2]=4 5330 B18R2.2526 c1ccc(cc1)SCCCNCc2cnco2 270004a_100000184639_100000064291 [0,0,1,0,0,1|1,0,1]=4 5331 B18R2.2526 c1ccc(cc1)SCCCNCc2cncs2 207a_100000184639_100000749870 [0,0,1,0,0,1|1,0,1]=4 5332 B18R2.2526 c1ccc(cc1)SCCCNCc2cncs2 2230a_100000184639_100015185245 [0,0,1,0,0,1|1,0,1]=4 5333 B18R2.2526 c1ccc(cc1)SCCCNCc2cncs2 2230a_100016987365_200011203293 [0,0,1,0,0,1|1,0,1]=4 5334 B18R2.2526 c1ccc(cc1)SCCCNCc2cncs2 270004a_100000184639_100000749870 [0,0,1,0,0,1|1,0,1]=4 5335 B18R2.2526 c1ccc(cc1)SCCCNCc2cocn2 270004a_100000184639_100000050382 [0,0,1,0,0,1|1,0,0]=3 5336 B18R2.2526 c1ccc(cc1)SCCCNCc2cscn2 207a_100000184639_100000743575 [0,0,1,0,0,1|1,0,0]=3 5337 B18R2.2526 c1ccc(cc1)SCCCNCc2cscn2 2230a_100000184639_100000205941 [0,0,1,0,0,1|1,0,0]=3 5338 B18R2.2526 c1ccc(cc1)SCCCNCc2cscn2 2230a_100015185402_200011203293 [0,0,1,0,0,1|1,0,0]=3 5339 B18R2.2526 c1ccc(cc1)SCCCNCc2cscn2 270004a_100000184639_100000743575 [0,0,1,0,0,1|1,0,0]=3 5340 B18R2.2526 c1ccc(cc1)SCCCNCc2csnn2 270004a_100000184639_100000738508 [0,0,1,0,0,1|2,0,0]=4 5341 B18R2.2526 c1ccc(cc1)SCCCNCc2ncc[nH]2 207a_100000184639_100000743867 [0,0,1,0,0,1|2,0,0]=4 5342 B18R2.2526 c1ccc(cc1)SCCCNCc2ncc[nH]2 2230a_100000184639_100016991755 [0,0,1,0,0,1|2,0,0]=4 5343 B18R2.2526 c1ccc(cc1)SCCCNCc2ncco2 2230a_100000184639_103436540062 [0,0,1,0,0,1|2,0,0]=4 5344 B18R2.2526 c1ccc(cc1)SCCCNCc2ncco2 2230a_100016994969_200011203293 [0,0,1,0,0,1|2,0,0]=4 5345 B18R2.2526 c1ccc(cc1)SCCCNCc2ncco2 270004a_100000184639_100000064290 [0,0,1,0,0,1|2,0,0]=4 5346 B18R2.2526 c1ccc(cc1)SCCCNCc2nccs2 207a_100000184639_100000750902 [0,0,1,0,0,1|2,0,0]=4 5347 B18R2.2526 c1ccc(cc1)SCCCNCc2nccs2 2230a_100000184639_100015184050 [0,0,1,0,0,1|2,0,0]=4 5348 B18R2.2526 c1ccc(cc1)SCCCNCc2nccs2 2230a_100000740555_200011203293 [0,0,1,0,0,1|2,0,0]=4 5349 B18R2.2526 c1ccc(cc1)SCCCNCc2nccs2 270004a_100000184639_100000750902 [0,0,1,0,0,1|2,0,0]=4 5350 B18R2.2526 c1ccc(cc1)SCCCNCn2cncn2 2230a_100000184639_200020645497 [0,0,1,0,0,1|1,0,1]=4 5351 B18R2.2526 c1ccc(cc1)SCCCSCc2c[nH]cn2 62a_100000707719_200011203293 [0,0,1,0,0,1|1,0,0]=3 5352 B18R2.2526 c1ccc(cc1)SCCCSCc2c[nH]cn2 62a_200011203293_100000707719 [0,0,1,0,0,1|1,0,0]=3 5353 B18R2.2526 c1ccc(cc1)SCCCSCc2cscn2 62a_100000205941_200011203293 [0,0,1,0,0,1|2,0,0]=4 5354 B18R2.2526 c1ccc(cc1)SCCCSCc2cscn2 62a_200011203293_100000205941 [0,0,1,0,0,1|2,0,0]=4 5355 B18R2.2526 c1ccc(cc1)SCCNCCc2c[nH]cn2 2230a_100000189519_100020628418 [0,0,1,0,0,1|1,0,0]=3 5356 B18R2.2526 c1ccc(cc1)SCCOCCc2c[nH]cn2 7a_100000230494_100020628418 [0,0,1,0,0,1|2,0,0]=4 5357 B18R2.2526 c1ccc(cc1)SCCSCCc2c[nH]cn2 62a_100000246102_100020628418 [0,0,1,0,0,1|2,0,0]=4 5358 B18R2.2526 c1ccc(cc1)SCCSCCc2c[nH]cn2 62a_100020628418_100000246102 [0,0,1,0,0,1|2,0,0]=4 5359 B18R2.2526 c1ccc(nc1)CCCCOCc2c[nH]cn2 34a_100012186994_100000707719 [0,0,1,0,0,1|2,0,0]=4 5360 B18R2.2526 c1ccc(nc1)OCCNCCc2c[nH]cn2 2230a_106741647558_100020628418 [0,0,1,0,0,1|2,0,0]=4 5361 B18R2.2526 c1ccc(nc1)SSCCNCc2c[nH]cn2 2230a_100016995281_100000707719 [0,0,1,0,0,1|2,0,0]=4 5362 B18R2.2526 c1cncc(c1)CCCCOCc2c[nH]cn2 34a_100012039607_100000707719 [0,0,1,0,0,1|2,0,0]=4 5363 B18R2.2526 c1cncc(c1)CCCNCCc2c[nH]cn2 2230a_100011532358_100020628418 [0,0,1,0,0,1|1,0,0]=3 5364 B18R2.2526 c1cncc(c1)OCCNCCc2c[nH]cn2 2230a_100000754688_100020628418 [0,0,1,0,0,1|2,0,0]=4 5365 B18R2.460 CCc1ccccc1C(=O)CCc2c[nH]cn2 1458a_100000689120_100020628418 [0,0,1,0,0,1|2,0,0]=4 5366 B18R2.460 CCc1ccccc1C(=O)NCc2c[nH]cn2 11a_100000758547_100000689120 [0,0,1,0,0,1|2,0,0]=4 5367 B18R2.460 CCc1ccccc1C(=O)NCc2c[nH]cn2 240690a_100000758547_100000689120 [0,0,1,0,0,1|2,0,0]=4 5368 B18R2.460 CCc1ccccc1C(=O)NCc2c[nH]cn2 527a_100000758547_100000689120 [0,0,1,0,0,1|2,0,0]=4 5369 B18R2.460 CN(CCc1c[nH]cn1)c2ccccc2C#N 2230a_100000744078_100020628418 [0,0,1,0,0,1|1,0,1]=4 5370 B18R2.460 CN(CCc1c[nH]cn1)c2ccccc2C#N 269982a_100000744078_100020628418 [0,0,1,0,0,1|1,0,1]=4 5371 B18R2.460 COc1ccccc1C(C)NCc2c[nH]cn2 2230a_100000185323_100000707719 [0,0,1,0,0,1|2,0,0]=4 5372 B18R2.460 COc1ccccc1N(C)CCc2c[nH]cn2 2230a_100000219746_100020628418 [0,0,1,0,0,1|1,0,0]=3 5373 B18R2.460 COc1ccccc1N(C)CCc2c[nH]cn2 269982a_100000219746_100020628418 [0,0,1,0,0,1|1,0,0]=3 5374 B18R2.3047 COc1ccccc1N(C)Cc2ccccn2 2230a_100000219746_100000721315 [0,0,1,0,0,1|2,0,0]=4 5375 B18R2.3047 COc1ccccc1N(C)Cc2ccccn2 269982a_100000219746_100000721315 [0,0,1,0,0,1|2,0,0]=4 5376 B18R2.3047 COc1ccccc1N(C)Cc2ccccn2 34a_100000219746_100000721315 [0,0,1,0,0,1|2,0,0]=4 5377 B18R2.3047 COc1ccccc1N(C)Cc2cccnc2 2230a_100000219746_100000741622 [0,0,1,0,0,1|2,0,0]=4 5378 B18R2.3047 COc1ccccc1N(C)Cc2cccnc2 269982a_100000219746_100000733263 [0,0,1,0,0,1|2,0,0]=4 5379 B18R2.3047 COc1ccccc1N(C)Cc2cccnc2 34a_100000219746_100000733263 [0,0,1,0,0,1|2,0,0]=4 5380 B18R2.3047 COc1ccccc1N(C)Cc2cccnn2 2230a_100000219746_100016990269 [0,0,1,0,0,1|2,0,0]=4 5381 B18R2.3047 COc1ccccc1N(C)Cc2cccnn2 34a_100000219746_100016990269 [0,0,1,0,0,1|2,0,0]=4 5382 B18R2.3047 COc1ccccc1N(C)Cc2cnccn2 2230a_100000219746_100016995436 [0,0,1,0,0,1|1,0,1]=4 5383 B18R2.3047 COc1ccccc1N(C)Cc2cnccn2 269982a_100000219746_100016995436 [0,0,1,0,0,1|1,0,1]=4 5384 B18R2.3047 COc1ccccc1N(C)Cc2cnccn2 34a_100000219746_100016995436 [0,0,1,0,0,1|1,0,1]=4 5385 B18R2.3047 COc1ccccc1N(C)Cc2cncnc2 2230a_100000219746_100015196519 [0,0,1,0,0,1|1,0,1]=4 5386 B18R2.3047 COc1ccccc1N(C)Cc2cncnc2 269982a_100000219746_100016991940 [0,0,1,0,0,1|1,0,1]=4 5387 B18R2.3047 COc1ccccc1N(C)Cc2cncnc2 34a_100000219746_100015196519 [0,0,1,0,0,1|1,0,1]=4 5388 B18R2.3047 COc1ccccc1N(C)Cc2ncccn2 2230a_100000219746_100000703007 [0,0,1,0,0,1|2,0,0]=4 5389 B18R2.3047 COc1ccccc1N(C)Cc2ncccn2 269982a_100000219746_100000703007 [0,0,1,0,0,1|2,0,0]=4 5390 B18R2.3047 COc1ccccc1N(C)Cc2ncccn2 34a_100000219746_100000703007 [0,0,1,0,0,1|2,0,0]=4 5391 B18R2.3075 CCc1ccccc1CN(C)Cc2ccco2 270004a_100000185268_100011219594 [0,0,1,0,0,1|2,0,0]=4 5392 B18R2.3075 CCc1ccccc1CN(C)Cc2cccs2 270004a_100000184426_100011219594 [0,0,1,0,0,1|2,0,0]=4 5393 B18R2.3075 CCc1ccccc1CN(C)Cc2ccon2 270004a_100000757864_100011219594 [0,0,1,0,0,1|2,0,0]=4 5394 B18R2.3075 CCc1ccccc1CN(C)Cc2ccsc2 270004a_100020654213_100011219594 [0,0,1,0,0,1|2,0,0]=4 5395 B18R2.3075 CCc1ccccc1CN(C)Cc2cscn2 270004a_100000225794_100011219594 [0,0,1,0,0,1|1,0,0]=3 5396 B18R2.3075 CCc1ccccc1CN(C)Cc2ncc[nH]2 270004a_100015184136_100011219594 [0,0,1,0,0,1|2,0,0]=4 5397 B18R2.3075 CCc1ccccc1CN(C)Cc2nccs2 270004a_100000765864_100011219594 [0,0,1,0,0,1|2,0,0]=4 5398 B18R2.3075 CCc1ccccc1NC(=O)Cc2c[nH]cn2 22a_100000212081_100015291406 [0,0,1,0,0,1|2,0,0]=4 5399 B18R2.3075 CN(Cc1c[nH]cn1)Cc2ccccc2C#N 2230a_100000225633_100000707719 [0,0,1,0,0,1|1,0,1]=4 5400 B18R2.3075 CN(Cc1c[nH]cn1)Cc2ccccc2C#N 269982a_100000225633_100000707719 [0,0,1,0,0,1|1,0,1]=4 5401 B18R2.3075 CN(Cc1c[nH]cn1)Cc2ccccc2CO 2230a_100000044721_100000707719 [0,0,1,0,0,1|1,0,0]=3 5402 B18R2.3075 CN(Cc1c[nH]cn1)Cc2ccccc2CO 269982a_100000044721_100000707719 [0,0,1,0,0,1|1,0,0]=3 5403 B18R2.3075 CN(Cc1cocn1)Cc2ccccc2CO 270004a_100000044721_100000050382 [0,0,1,0,0,1|2,0,0]=4 5404 B18R2.3075 CN(Cc1cscn1)Cc2ccccc2CO 2230a_100000044721_100000205941 [0,0,1,0,0,1|2,0,0]=4 5405 B18R2.3075 CN(Cc1cscn1)Cc2ccccc2CO 2230a_100000225794_100009816955 [0,0,1,0,0,1|2,0,0]=4 5406 B18R2.3075 CN(Cc1cscn1)Cc2ccccc2CO 269982a_100000044721_100000205941 [0,0,1,0,0,1|2,0,0]=4 5407 B18R2.3075 CN(Cc1cscn1)Cc2ccccc2CO 269982a_100000225794_100009816955 [0,0,1,0,0,1|2,0,0]=4 5408 B18R2.3075 CN(Cc1cscn1)Cc2ccccc2CO 270004a_100000044721_100000743575 [0,0,1,0,0,1|2,0,0]=4 5409 B18R2.3075 COc1ccccc1CN(C)Cc2c[nH]cn2 2230a_100000184376_100000707719 [0,0,1,0,0,1|1,0,0]=3 5410 B18R2.3075 COc1ccccc1CN(C)Cc2c[nH]cn2 269982a_100000184376_100000707719 [0,0,1,0,0,1|1,0,0]=3 5411 B18R2.3075 COc1ccccc1CN(C)Cc2cocn2 270004a_100000184376_100000050382 [0,0,1,0,0,1|2,0,0]=4 5412 B18R2.3075 COc1ccccc1CN(C)Cc2cscn2 2230a_100000184376_100000205941 [0,0,1,0,0,1|2,0,0]=4 5413 B18R2.3075 COc1ccccc1CN(C)Cc2cscn2 2230a_100000225794_100000210004 [0,0,1,0,0,1|2,0,0]=4 5414 B18R2.3075 COc1ccccc1CN(C)Cc2cscn2 269982a_100000184376_100000205941 [0,0,1,0,0,1|2,0,0]=4 5415 B18R2.3075 COc1ccccc1CN(C)Cc2cscn2 269982a_100000225794_100000210004 [0,0,1,0,0,1|2,0,0]=4 5416 B18R2.3075 COc1ccccc1CN(C)Cc2cscn2 270004a_100000184376_100000743575 [0,0,1,0,0,1|2,0,0]=4 5417 B18R2.3075 COc1ccccc1CN(C)Cc2cscn2 270004a_100000225794_100000169842 [0,0,1,0,0,1|2,0,0]=4 5418 B18R2.3075 CSc1ccccc1CN(C)Cc2cscn2 2230a_100000225794_100000699184 [0,0,1,0,0,1|2,0,0]=4 5419 B18R2.3075 CSc1ccccc1CN(C)Cc2cscn2 269982a_100000225794_100000699184 [0,0,1,0,0,1|2,0,0]=4 5420 B18R2.3075 CSc1ccccc1CN(C)Cc2cscn2 270004a_100000225794_100011217347 [0,0,1,0,0,1|2,0,0]=4 5421 B18R2.2627 CCCc1ccccc1NCc2ccccc2 207a_100000737634_100015611070 [0,0,1,0,0,1|2,0,0]=4 5422 B18R2.2627 CCCc1ccccc1NCc2ccccc2 2230a_100000737634_100015291786 [0,0,1,0,0,1|2,0,0]=4 5423 B18R2.2627 CCCc1ccccc1NCc2ccccc2 270302a_100000737634_100015611070 [0,0,1,0,0,1|2,0,0]=4 5424 B18R2.2627 CCCc1ccccc1NCc2ccccc2 34a_100000737634_100015291786 [0,0,1,0,0,1|2,0,0]=4 5425 B18R2.2627 CCCc1ccccc1NCc2ccccc2 7a_100000737634_100000211182 [0,0,1,0,0,1|2,0,0]=4 5426 B18R2.2627 CCCc1ccccc1NCc2ccccn2 207a_100000737634_100000209966 [0,0,1,0,0,1|1,0,0]=3 5427 B18R2.2627 CCCc1ccccc1NCc2ccccn2 2230a_100000737634_100000721315 [0,0,1,0,0,1|1,0,0]=3 5428 B18R2.2627 CCCc1ccccc1NCc2ccccn2 270302a_100000737634_100000209966 [0,0,1,0,0,1|1,0,0]=3 5429 B18R2.2627 CCCc1ccccc1NCc2ccccn2 34a_100000737634_100000721315 [0,0,1,0,0,1|1,0,0]=3 5430 B18R2.2627 CCCc1ccccc1NCc2ccccn2 7a_100000737634_100000721315 [0,0,1,0,0,1|1,0,0]=3 5431 B18R2.2627 CCCc1ccccc1NCc2cccnc2 207a_100000737634_100000209961 [0,0,1,0,0,1|1,0,0]=3 5432 B18R2.2627 CCCc1ccccc1NCc2cccnc2 2230a_100000737634_100000741622 [0,0,1,0,0,1|1,0,0]=3 5433 B18R2.2627 CCCc1ccccc1NCc2cccnc2 270302a_100000737634_100000209961 [0,0,1,0,0,1|1,0,0]=3 5434 B18R2.2627 CCCc1ccccc1NCc2cccnc2 34a_100000737634_100000733263 [0,0,1,0,0,1|1,0,0]=3 5435 B18R2.2627 CCCc1ccccc1NCc2cccnc2 7a_100000737634_100000741622 [0,0,1,0,0,1|1,0,0]=3 5436 B18R2.2627 CCCc1ccccc1NCc2cccnn2 2230a_100000737634_100016990269 [0,0,1,0,0,1|1,0,0]=3 5437 B18R2.2627 CCCc1ccccc1NCc2cccnn2 34a_100000737634_100016990269 [0,0,1,0,0,1|1,0,0]=3 5438 B18R2.2627 CCCc1ccccc1NCc2cccnn2 7a_100000737634_100016990269 [0,0,1,0,0,1|1,0,0]=3 5439 B18R2.2627 CCCc1ccccc1NCc2ccncc2 207a_100000737634_100000186114 [0,0,1,0,0,1|1,0,1]=4 5440 B18R2.2627 CCCc1ccccc1NCc2ccncc2 2230a_100000737634_100015193705 [0,0,1,0,0,1|1,0,1]=4 5441 B18R2.2627 CCCc1ccccc1NCc2ccncc2 7a_100000737634_100015193705 [0,0,1,0,0,1|1,0,1]=4 5442 B18R2.2627 CCCc1ccccc1NCc2ccnnc2 270302a_100000737634_100011934578 [0,0,1,0,0,1|1,0,1]=4 5443 B18R2.2627 CCCc1ccccc1NCc2cnccn2 2230a_100000737634_100016995436 [0,0,1,0,0,1|0,0,1]=3 5444 B18R2.2627 CCCc1ccccc1NCc2cnccn2 34a_100000737634_100016995436 [0,0,1,0,0,1|0,0,1]=3 5445 B18R2.2627 CCCc1ccccc1NCc2cnccn2 7a_100000737634_100016995436 [0,0,1,0,0,1|0,0,1]=3 5446 B18R2.2627 CCCc1ccccc1NCc2cncnc2 2230a_100000737634_100015196519 [0,0,1,0,0,1|0,0,1]=3 5447 B18R2.2627 CCCc1ccccc1NCc2cncnc2 270302a_100000737634_100000749868 [0,0,1,0,0,1|0,0,1]=3 5448 B18R2.2627 CCCc1ccccc1NCc2cncnc2 34a_100000737634_100015196519 [0,0,1,0,0,1|0,0,1]=3 5449 B18R2.2627 CCCc1ccccc1NCc2cncnc2 7a_100000737634_100015196519 [0,0,1,0,0,1|0,0,1]=3 5450 B18R2.2627 CCCc1ccccc1NCc2ncccn2 2230a_100000737634_100000703007 [0,0,1,0,0,1|1,0,0]=3 5451 B18R2.2627 CCCc1ccccc1NCc2ncccn2 34a_100000737634_100000703007 [0,0,1,0,0,1|1,0,0]=3 5452 B18R2.2627 CCCc1ccccc1NCc2ncccn2 7a_100000737634_100000703007 [0,0,1,0,0,1|1,0,0]=3 5453 B18R2.2627 CCCc1ccccc1OCc2ccccn2 34a_100011217252_100000721315 [0,0,1,0,0,1|2,0,0]=4 5454 B18R2.2627 CCCc1ccccc1OCc2ccccn2 7a_100011217252_100000721315 [0,0,1,0,0,1|2,0,0]=4 5455 B18R2.2627 CCCc1ccccc1OCc2cccnc2 34a_100011217252_100000733263 [0,0,1,0,0,1|2,0,0]=4 5456 B18R2.2627 CCCc1ccccc1OCc2cccnc2 7a_100011217252_100000741622 [0,0,1,0,0,1|2,0,0]=4 5457 B18R2.2627 CCCc1ccccc1OCc2cccnn2 34a_100011217252_100016990269 [0,0,1,0,0,1|2,0,0]=4 5458 B18R2.2627 CCCc1ccccc1OCc2cccnn2 7a_100011217252_100016990269 [0,0,1,0,0,1|2,0,0]=4 5459 B18R2.2627 CCCc1ccccc1OCc2cnccn2 34a_100011217252_100016995436 [0,0,1,0,0,1|1,0,1]=4 5460 B18R2.2627 CCCc1ccccc1OCc2cnccn2 7a_100011217252_100016995436 [0,0,1,0,0,1|1,0,1]=4 5461 B18R2.2627 CCCc1ccccc1OCc2cncnc2 34a_100011217252_100015196519 [0,0,1,0,0,1|1,0,1]=4 5462 B18R2.2627 CCCc1ccccc1OCc2cncnc2 7a_100011217252_100015196519 [0,0,1,0,0,1|1,0,1]=4 5463 B18R2.2627 CCCc1ccccc1OCc2ncccn2 34a_100011217252_100000703007 [0,0,1,0,0,1|2,0,0]=4 5464 B18R2.2627 CCCc1ccccc1OCc2ncccn2 7a_100011217252_100000703007 [0,0,1,0,0,1|2,0,0]=4 5465 B18R2.2627 CCOc1ccccc1NCc2ccccn2 207a_100000211218_100000209966 [0,0,1,0,0,1|2,0,0]=4 5466 B18R2.2627 CCOc1ccccc1NCc2ccccn2 270302a_100000211218_100000209966 [0,0,1,0,0,1|2,0,0]=4 5467 B18R2.2627 CCOc1ccccc1NCc2ccccn2 34a_100000211218_100000721315 [0,0,1,0,0,1|2,0,0]=4 5468 B18R2.2627 CCOc1ccccc1NCc2cccnc2 207a_100000211218_100000209961 [0,0,1,0,0,1|2,0,0]=4 5469 B18R2.2627 CCOc1ccccc1NCc2cccnc2 270302a_100000211218_100000209961 [0,0,1,0,0,1|2,0,0]=4 5470 B18R2.2627 CCOc1ccccc1NCc2cccnc2 34a_100000211218_100000733263 [0,0,1,0,0,1|2,0,0]=4 5471 B18R2.2627 CCOc1ccccc1NCc2cccnn2 34a_100000211218_100016990269 [0,0,1,0,0,1|2,0,0]=4 5472 B18R2.2627 CCOc1ccccc1NCc2cnccn2 34a_100000211218_100016995436 [0,0,1,0,0,1|1,0,1]=4 5473 B18R2.2627 CCOc1ccccc1NCc2cncnc2 270302a_100000211218_100000749868 [0,0,1,0,0,1|1,0,1]=4 5474 B18R2.2627 CCOc1ccccc1NCc2cncnc2 34a_100000211218_100015196519 [0,0,1,0,0,1|1,0,1]=4 5475 B18R2.2627 CCOc1ccccc1NCc2ncccn2 34a_100000211218_100000703007 [0,0,1,0,0,1|2,0,0]=4 5476 B18R2.2627 CCSc1ccccc1NCc2ccccn2 207a_100011223125_100000209966 [0,0,1,0,0,1|2,0,0]=4 5477 B18R2.2627 CCSc1ccccc1NCc2ccccn2 270302a_100011223125_100000209966 [0,0,1,0,0,1|2,0,0]=4 5478 B18R2.2627 CCSc1ccccc1NCc2ccccn2 34a_100011223125_100000721315 [0,0,1,0,0,1|2,0,0]=4 5479 B18R2.2627 CCSc1ccccc1NCc2cccnc2 207a_100011223125_100000209961 [0,0,1,0,0,1|2,0,0]=4 5480 B18R2.2627 CCSc1ccccc1NCc2cccnc2 270302a_100011223125_100000209961 [0,0,1,0,0,1|2,0,0]=4 5481 B18R2.2627 CCSc1ccccc1NCc2cccnc2 34a_100011223125_100000733263 [0,0,1,0,0,1|2,0,0]=4 5482 B18R2.2627 CCSc1ccccc1NCc2cccnn2 34a_100011223125_100016990269 [0,0,1,0,0,1|2,0,0]=4 5483 B18R2.2627 CCSc1ccccc1NCc2cnccn2 34a_100011223125_100016995436 [0,0,1,0,0,1|1,0,1]=4 5484 B18R2.2627 CCSc1ccccc1NCc2cncnc2 270302a_100011223125_100000749868 [0,0,1,0,0,1|1,0,1]=4 5485 B18R2.2627 CCSc1ccccc1NCc2cncnc2 34a_100011223125_100015196519 [0,0,1,0,0,1|1,0,1]=4 5486 B18R2.2627 CCSc1ccccc1NCc2ncccn2 34a_100011223125_100000703007 [0,0,1,0,0,1|2,0,0]=4 5487 B18R2.2627 OCCc1ccccc1NCc2ccccn2 207a_100011215289_100000209966 [0,0,1,0,0,1|2,0,0]=4 5488 B18R2.2627 OCCc1ccccc1NCc2ccccn2 2230a_100011215289_100000721315 [0,0,1,0,0,1|2,0,0]=4 5489 B18R2.2627 OCCc1ccccc1NCc2ccccn2 270302a_100011215289_100000209966 [0,0,1,0,0,1|2,0,0]=4 5490 B18R2.2627 OCCc1ccccc1NCc2ccccn2 34a_100011215289_100000721315 [0,0,1,0,0,1|2,0,0]=4 5491 B18R2.2627 OCCc1ccccc1NCc2cccnc2 207a_100011215289_100000209961 [0,0,1,0,0,1|2,0,0]=4 5492 B18R2.2627 OCCc1ccccc1NCc2cccnc2 2230a_100011215289_100000741622 [0,0,1,0,0,1|2,0,0]=4 5493 B18R2.2627 OCCc1ccccc1NCc2cccnc2 270302a_100011215289_100000209961 [0,0,1,0,0,1|2,0,0]=4 5494 B18R2.2627 OCCc1ccccc1NCc2cccnc2 34a_100011215289_100000733263 [0,0,1,0,0,1|2,0,0]=4 5495 B18R2.2627 OCCc1ccccc1NCc2cccnn2 2230a_100011215289_100016990269 [0,0,1,0,0,1|2,0,0]=4 5496 B18R2.2627 OCCc1ccccc1NCc2cccnn2 34a_100011215289_100016990269 [0,0,1,0,0,1|2,0,0]=4 5497 B18R2.2627 OCCc1ccccc1NCc2cnccn2 2230a_100011215289_100016995436 [0,0,1,0,0,1|1,0,1]=4 5498 B18R2.2627 OCCc1ccccc1NCc2cnccn2 34a_100011215289_100016995436 [0,0,1,0,0,1|1,0,1]=4 5499 B18R2.2627 OCCc1ccccc1NCc2cncnc2 2230a_100011215289_100015196519 [0,0,1,0,0,1|1,0,1]=4 5500 B18R2.2627 OCCc1ccccc1NCc2cncnc2 270302a_100011215289_100000749868 [0,0,1,0,0,1|1,0,1]=4 5501 B18R2.2627 OCCc1ccccc1NCc2cncnc2 34a_100011215289_100015196519 [0,0,1,0,0,1|1,0,1]=4 5502 B18R2.2627 OCCc1ccccc1NCc2ncccn2 2230a_100011215289_100000703007 [0,0,1,0,0,1|2,0,0]=4 5503 B18R2.2627 OCCc1ccccc1NCc2ncccn2 34a_100011215289_100000703007 [0,0,1,0,0,1|2,0,0]=4 5504 B18R2.7551 BrCCc1ccccc1OCCc2c[nH]cn2 7a_100000722297_100020628418 [0,0,1,0,0,1|2,0,0]=4 5505 B18R2.7551 C=CCc1ccccc1CNCc2c[nH]cn2 207a_100000758547_100010619294 [0,0,1,0,0,1|0,0,2]=4 5506 B18R2.7551 C=CCc1ccccc1NCCc2c[nH]cn2 2230a_200138433279_100020628418 [0,0,1,0,0,1|0,0,2]=4 5507 B18R2.7551 CCCc1ccccc1NCCc2c[nH]cn2 2230a_100000737634_100020628418 [0,0,1,0,0,1|0,0,0]=2 5508 B18R2.7551 CCCc1ccccc1NCCc2c[nH]cn2 7a_100000737634_100020628418 [0,0,1,0,0,1|0,0,0]=2 5509 B18R2.7551 CCCc1ccccc1NCCc2cccs2 2230a_100000737634_100000748579 [0,0,1,0,0,1|2,0,0]=4 5510 B18R2.7551 CCCc1ccccc1NCCc2cccs2 34a_100000737634_100000748579 [0,0,1,0,0,1|2,0,0]=4 5511 B18R2.7551 CCCc1ccccc1NCCc2cccs2 7a_100000737634_100000748579 [0,0,1,0,0,1|2,0,0]=4 5512 B18R2.7551 CCCc1ccccc1NCCc2cn[nH]c2 2230a_100000737634_100000743252 [0,0,1,0,0,1|2,0,0]=4 5513 B18R2.7551 CCCc1ccccc1NCCc2cn[nH]c2 7a_100000737634_100000743252 [0,0,1,0,0,1|2,0,0]=4 5514 B18R2.7551 CCCc1ccccc1NCCn2cccn2 2230a_100000737634_100000685285 [0,0,1,0,0,1|2,0,0]=4 5515 B18R2.7551 CCCc1ccccc1NCCn2cccn2 34a_100000737634_100015204718 [0,0,1,0,0,1|2,0,0]=4 5516 B18R2.7551 CCCc1ccccc1NCCn2cccn2 7a_100000737634_100000685285 [0,0,1,0,0,1|2,0,0]=4 5517 B18R2.7551 CCCc1ccccc1NCCn2cncn2 2230a_100000737634_100000731791 [0,0,1,0,0,1|1,0,1]=4 5518 B18R2.7551 CCCc1ccccc1NCCn2cncn2 34a_100000737634_200000749826 [0,0,1,0,0,1|1,0,1]=4 5519 B18R2.7551 CCCc1ccccc1NCCn2cncn2 7a_100000737634_100000731791 [0,0,1,0,0,1|1,0,1]=4 5520 B18R2.7551 CCCc1ccccc1OCCc2c[nH]cn2 7a_100011217252_100020628418 [0,0,1,0,0,1|1,0,0]=3 5521 B18R2.7551 CCCc1ncncc1NCCc2c[nH]cn2 27a_100000755092_100009816987 [0,0,1,0,0,1|2,0,0]=4 5522 B18R2.7551 CCNc1ccccc1OCCc2c[nH]cn2 7a_103624766699_100020628418 [0,0,1,0,0,1|2,0,0]=4 5523 B18R2.7551 CCNc1ccccc1SCCc2c[nH]cn2 62a_100020628418_114873767003 [0,0,1,0,0,1|2,0,0]=4 5524 B18R2.7551 CCNc1ccccc1SCCc2c[nH]cn2 62a_114873767003_100020628418 [0,0,1,0,0,1|2,0,0]=4 5525 B18R2.7551 CCOc1ccccc1CNCc2c[nH]cn2 207a_100000758547_100000169843 [0,0,1,0,0,1|1,0,0]=3 5526 B18R2.7551 CCOc1ccccc1CNCc2c[nH]nn2 207a_100020620823_100000169843 [0,0,1,0,0,1|2,0,0]=4 5527 B18R2.7551 CCOc1ccccc1CNCc2c[nH]nn2 270004a_100020620823_100000169843 [0,0,1,0,0,1|2,0,0]=4 5528 B18R2.7551 CCOc1ccccc1CNCc2cocn2 207a_100015188801_100000169843 [0,0,1,0,0,1|2,0,0]=4 5529 B18R2.7551 CCOc1ccccc1CNCc2cocn2 270004a_100000188671_100000050382 [0,0,1,0,0,1|2,0,0]=4 5530 B18R2.7551 CCOc1ccccc1CNCc2cocn2 270004a_100015188801_100000169843 [0,0,1,0,0,1|2,0,0]=4 5531 B18R2.7551 CCOc1ccccc1CNCc2cscn2 207a_100000188671_100000743575 [0,0,1,0,0,1|2,0,0]=4 5532 B18R2.7551 CCOc1ccccc1CNCc2cscn2 207a_100015185402_100000169843 [0,0,1,0,0,1|2,0,0]=4 5533 B18R2.7551 CCOc1ccccc1CNCc2cscn2 270004a_100000188671_100000743575 [0,0,1,0,0,1|2,0,0]=4 5534 B18R2.7551 CCOc1ccccc1COCc2c[nH]cn2 34a_100000708577_100000707719 [0,0,1,0,0,1|2,0,0]=4 5535 B18R2.7551 CCOc1ccccc1OCCc2c[nH]cn2 7a_100000211404_100020628418 [0,0,1,0,0,1|2,0,0]=4 5536 B18R2.7551 CCOc1ccccc1SCCc2c[nH]cn2 62a_100000230754_100020628418 [0,0,1,0,0,1|2,0,0]=4 5537 B18R2.7551 CCOc1ccccc1SCCc2c[nH]cn2 62a_100020628418_100000230754 [0,0,1,0,0,1|2,0,0]=4 5538 B18R2.7551 CCOc1cccnc1CNCc2c[nH]cn2 207a_100000758547_100009876934 [0,0,1,0,0,1|2,0,0]=4 5539 B18R2.7551 CCOc1ncccc1CNCc2c[nH]cn2 207a_100000758547_100011290805 [0,0,1,0,0,1|2,0,0]=4 5540 B18R2.7551 CCSc1ccccc1SCCc2c[nH]cn2 62a_100000230856_100020628418 [0,0,1,0,0,1|2,0,0]=4 5541 B18R2.7551 CCSc1ccccc1SCCc2c[nH]cn2 62a_100020628418_100000230856 [0,0,1,0,0,1|2,0,0]=4 5542 B18R2.7551 CNCc1ccccc1SCCc2c[nH]cn2 62a_100000184654_100020628418 [0,0,1,0,0,1|2,0,0]=4 5543 B18R2.7551 CNCc1ccccc1SCCc2c[nH]cn2 62a_100020628418_100000184654 [0,0,1,0,0,1|2,0,0]=4 5544 B18R2.7551 COCc1ccccc1OCCc2c[nH]cn2 7a_100011488565_100020628418 [0,0,1,0,0,1|2,0,0]=4 5545 B18R2.7551 COCc1ccccc1SCCc2c[nH]cn2 62a_100011493684_100020628418 [0,0,1,0,0,1|2,0,0]=4 5546 B18R2.7551 COCc1ccccc1SCCc2c[nH]cn2 62a_100020628418_100011493684 [0,0,1,0,0,1|2,0,0]=4 5547 B18R2.7551 CSCc1ccccc1SCCc2c[nH]cn2 62a_100000148299_100020628418 [0,0,1,0,0,1|2,0,0]=4 5548 B18R2.7551 CSCc1ccccc1SCCc2c[nH]cn2 62a_100020628418_100000148299 [0,0,1,0,0,1|2,0,0]=4 5549 B18R2.7551 NCCc1ccccc1SCCc2c[nH]cn2 62a_100000747383_100020628418 [0,0,1,0,0,1|2,0,0]=4 5550 B18R2.7551 NCCc1ccccc1SCCc2c[nH]cn2 62a_100020628418_100000747383 [0,0,1,0,0,1|2,0,0]=4 5551 B18R2.7551 OCCc1ccccc1NCCc2c[nH]cn2 2230a_100011215289_100020628418 [0,0,1,0,0,1|1,0,0]=3 5552 B18R2.7551 OCCc1ccccc1OCCc2c[nH]cn2 7a_100000719421_100020628418 [0,0,1,0,0,1|2,0,0]=4 5553 B18R2.7551 OCCc1ccccc1SCCc2c[nH]cn2 62a_100000731337_100020628418 [0,0,1,0,0,1|2,0,0]=4 5554 B18R2.7551 OCCc1ccccc1SCCc2c[nH]cn2 62a_100020628418_100000731337 [0,0,1,0,0,1|2,0,0]=4 5555 B18R2.7792 CCN(Cc1ccccc1)c2ccccc2C 2230a_100000211084_100015291786 [0,0,1,0,0,1|2,0,0]=4 5556 B18R2.7792 CCN(Cc1ccccc1)c2ccccc2C 2230a_100102946366_100000210202 [0,0,1,0,0,1|2,0,0]=4 5557 B18R2.7792 CCN(Cc1ccccc1)c2ccccc2C 269982a_100000211084_100000211182 [0,0,1,0,0,1|2,0,0]=4 5558 B18R2.7792 CCN(Cc1ccccc1)c2ccccc2C 269982a_100102946366_100000204670 [0,0,1,0,0,1|2,0,0]=4 5559 B18R2.7792 CCN(Cc1ccccc1)c2ccccc2C 34a_100000211084_100015291786 [0,0,1,0,0,1|2,0,0]=4 5560 B18R2.7792 CCN(Cc1ccccc1)c2ccccc2C 34a_100102946366_100000210202 [0,0,1,0,0,1|2,0,0]=4 5561 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2Br 2230a_114873767003_100000721315 [0,0,1,0,0,1|2,0,0]=4 5562 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2Br 269982a_114873767003_100000721315 [0,0,1,0,0,1|2,0,0]=4 5563 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2Br 34a_114873767003_100000721315 [0,0,1,0,0,1|2,0,0]=4 5564 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2C 2230a_100000211084_100000721315 [0,0,1,0,0,1|1,0,0]=3 5565 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2C 269982a_100000211084_100000721315 [0,0,1,0,0,1|1,0,0]=3 5566 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2C 34a_100000211084_100000721315 [0,0,1,0,0,1|1,0,0]=3 5567 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2F 2230a_100000220365_100000721315 [0,0,1,0,0,1|2,0,0]=4 5568 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2F 269982a_100000220365_100000721315 [0,0,1,0,0,1|2,0,0]=4 5569 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2F 34a_100000220365_100000721315 [0,0,1,0,0,1|2,0,0]=4 5570 B18R2.7792 CCN(Cc1ccccn1)c2ccccc2O 269982a_103624766699_100000721315 [0,0,1,0,0,1|2,0,0]=4 5571 B18R2.7792 CCN(Cc1ccccn1)c2ccncc2C 27a_100000201164_100000765111 [0,0,1,0,0,1|2,0,0]=4 5572 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2Br 2230a_114873767003_100000741622 [0,0,1,0,0,1|2,0,0]=4 5573 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2Br 269982a_114873767003_100000733263 [0,0,1,0,0,1|2,0,0]=4 5574 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2Br 34a_114873767003_100000733263 [0,0,1,0,0,1|2,0,0]=4 5575 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2C 2230a_100000211084_100000741622 [0,0,1,0,0,1|1,0,0]=3 5576 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2C 269982a_100000211084_100000733263 [0,0,1,0,0,1|1,0,0]=3 5577 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2C 34a_100000211084_100000733263 [0,0,1,0,0,1|1,0,0]=3 5578 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2F 2230a_100000220365_100000741622 [0,0,1,0,0,1|2,0,0]=4 5579 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2F 269982a_100000220365_100000733263 [0,0,1,0,0,1|2,0,0]=4 5580 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2F 34a_100000220365_100000733263 [0,0,1,0,0,1|2,0,0]=4 5581 B18R2.7792 CCN(Cc1cccnc1)c2ccccc2O 269982a_103624766699_100000733263 [0,0,1,0,0,1|2,0,0]=4 5582 B18R2.7792 CCN(Cc1cccnc1)c2ccncc2C 27a_100000186920_100000765111 [0,0,1,0,0,1|2,0,0]=4 5583 B18R2.7792 CCN(Cc1cccnn1)c2ccccc2Br 2230a_114873767003_100016990269 [0,0,1,0,0,1|2,0,0]=4 5584 B18R2.7792 CCN(Cc1cccnn1)c2ccccc2Br 34a_114873767003_100016990269 [0,0,1,0,0,1|2,0,0]=4 5585 B18R2.7792 CCN(Cc1cccnn1)c2ccccc2C 2230a_100000211084_100016990269 [0,0,1,0,0,1|1,0,0]=3 5586 B18R2.7792 CCN(Cc1cccnn1)c2ccccc2C 34a_100000211084_100016990269 [0,0,1,0,0,1|1,0,0]=3 5587 B18R2.7792 CCN(Cc1cccnn1)c2ccccc2F 2230a_100000220365_100016990269 [0,0,1,0,0,1|2,0,0]=4 5588 B18R2.7792 CCN(Cc1cccnn1)c2ccccc2F 34a_100000220365_100016990269 [0,0,1,0,0,1|2,0,0]=4 5589 B18R2.7792 CCN(Cc1ccncc1)c2ccccc2C 2230a_100000211084_100015193705 [0,0,1,0,0,1|1,0,1]=4 5590 B18R2.7792 CCN(Cc1ccncc1)c2ccccc2C 269982a_100000211084_100015193705 [0,0,1,0,0,1|1,0,1]=4 5591 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2Br 2230a_114873767003_100016995436 [0,0,1,0,0,1|1,0,1]=4 5592 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2Br 269982a_114873767003_100016995436 [0,0,1,0,0,1|1,0,1]=4 5593 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2Br 34a_114873767003_100016995436 [0,0,1,0,0,1|1,0,1]=4 5594 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2C 2230a_100000211084_100016995436 [0,0,1,0,0,1|0,0,1]=3 5595 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2C 269982a_100000211084_100016995436 [0,0,1,0,0,1|0,0,1]=3 5596 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2C 34a_100000211084_100016995436 [0,0,1,0,0,1|0,0,1]=3 5597 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2F 2230a_100000220365_100016995436 [0,0,1,0,0,1|1,0,1]=4 5598 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2F 269982a_100000220365_100016995436 [0,0,1,0,0,1|1,0,1]=4 5599 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2F 34a_100000220365_100016995436 [0,0,1,0,0,1|1,0,1]=4 5600 B18R2.7792 CCN(Cc1cnccn1)c2ccccc2O 269982a_103624766699_100016995436 [0,0,1,0,0,1|1,0,1]=4 5601 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2Br 2230a_114873767003_100015196519 [0,0,1,0,0,1|1,0,1]=4 5602 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2Br 269982a_114873767003_100016991940 [0,0,1,0,0,1|1,0,1]=4 5603 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2Br 34a_114873767003_100015196519 [0,0,1,0,0,1|1,0,1]=4 5604 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2C 2230a_100000211084_100015196519 [0,0,1,0,0,1|0,0,1]=3 5605 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2C 269982a_100000211084_100016991940 [0,0,1,0,0,1|0,0,1]=3 5606 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2C 34a_100000211084_100015196519 [0,0,1,0,0,1|0,0,1]=3 5607 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2F 2230a_100000220365_100015196519 [0,0,1,0,0,1|1,0,1]=4 5608 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2F 269982a_100000220365_100016991940 [0,0,1,0,0,1|1,0,1]=4 5609 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2F 34a_100000220365_100015196519 [0,0,1,0,0,1|1,0,1]=4 5610 B18R2.7792 CCN(Cc1cncnc1)c2ccccc2O 269982a_103624766699_100016991940 [0,0,1,0,0,1|1,0,1]=4 5611 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2Br 2230a_114873767003_100000703007 [0,0,1,0,0,1|2,0,0]=4 5612 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2Br 269982a_114873767003_100000703007 [0,0,1,0,0,1|2,0,0]=4 5613 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2Br 34a_114873767003_100000703007 [0,0,1,0,0,1|2,0,0]=4 5614 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2C 2230a_100000211084_100000703007 [0,0,1,0,0,1|1,0,0]=3 5615 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2C 269982a_100000211084_100000703007 [0,0,1,0,0,1|1,0,0]=3 5616 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2C 34a_100000211084_100000703007 [0,0,1,0,0,1|1,0,0]=3 5617 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2F 2230a_100000220365_100000703007 [0,0,1,0,0,1|2,0,0]=4 5618 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2F 269982a_100000220365_100000703007 [0,0,1,0,0,1|2,0,0]=4 5619 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2F 34a_100000220365_100000703007 [0,0,1,0,0,1|2,0,0]=4 5620 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2O 269982a_103624766699_100000703007 [0,0,1,0,0,1|2,0,0]=4 5621 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2C 2230a_100000201206_100000707719 [0,0,1,0,0,1|0,0,0]=2 5622 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2C 269982a_100000201206_100000707719 [0,0,1,0,0,1|0,0,0]=2 5623 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2Cl 2230a_100000201176_100000707719 [0,0,1,0,0,1|1,0,0]=3 5624 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2Cl 269982a_100000201176_100000707719 [0,0,1,0,0,1|1,0,0]=3 5625 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2F 2230a_100015186831_100000707719 [0,0,1,0,0,1|1,0,0]=3 5626 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2F 269982a_100015186831_100000707719 [0,0,1,0,0,1|1,0,0]=3 5627 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2F 34a_100015186831_100000707719 [0,0,1,0,0,1|1,0,0]=3 5628 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2O 2230a_100011223546_100000707719 [0,0,1,0,0,1|1,0,0]=3 5629 B18R2.78977 CCN(Cc1c[nH]cn1)Cc2ccccc2O 269982a_100011223546_100000707719 [0,0,1,0,0,1|1,0,0]=3 5630 B18R2.78977 CCN(Cc1cc[nH]n1)Cc2ccccc2C 270004a_100000201206_100000738523 [0,0,1,0,0,1|2,0,0]=4 5631 B18R2.78977 CCN(Cc1ccccc1C)Cn2cncn2 2230a_100000201206_200020645497 [0,0,1,0,0,1|1,0,1]=4 5632 B18R2.78977 CCN(Cc1ccccc1C)Cn2cncn2 269982a_100000201206_200020645497 [0,0,1,0,0,1|1,0,1]=4 5633 B18R2.78977 CCN(Cc1ccco1)Cc2ccccc2C 2230a_100000739255_100000211839 [0,0,1,0,0,1|2,0,0]=4 5634 B18R2.78977 CCN(Cc1ccco1)Cc2ccccc2C 269982a_100000739255_100000211839 [0,0,1,0,0,1|2,0,0]=4 5635 B18R2.78977 CCN(Cc1ccco1)Cc2ccccc2C 270004a_100000201206_100000186105 [0,0,1,0,0,1|2,0,0]=4 5636 B18R2.78977 CCN(Cc1ccco1)Cc2ccccc2C 270004a_100000739255_100000211143 [0,0,1,0,0,1|2,0,0]=4 5637 B18R2.78977 CCN(Cc1cccs1)Cc2ccccc2C 2230a_100025770963_100000211839 [0,0,1,0,0,1|2,0,0]=4 5638 B18R2.78977 CCN(Cc1cccs1)Cc2ccccc2C 269982a_100025770963_100000211839 [0,0,1,0,0,1|2,0,0]=4 5639 B18R2.78977 CCN(Cc1cccs1)Cc2ccccc2C 270004a_100000201206_100000209959 [0,0,1,0,0,1|2,0,0]=4 5640 B18R2.78977 CCN(Cc1cccs1)Cc2ccccc2C 270004a_100025770963_100000211143 [0,0,1,0,0,1|2,0,0]=4 5641 B18R2.78977 CCN(Cc1ccoc1)Cc2ccccc2C 270004a_100000201206_100011215517 [0,0,1,0,0,1|2,0,0]=4 5642 B18R2.78977 CCN(Cc1ccon1)Cc2ccccc2C 2230a_100000201206_100000234950 [0,0,1,0,0,1|2,0,0]=4 5643 B18R2.78977 CCN(Cc1ccon1)Cc2ccccc2C 269982a_100000201206_100000234950 [0,0,1,0,0,1|2,0,0]=4 5644 B18R2.78977 CCN(Cc1ccsc1)Cc2ccccc2C 2230a_100000201206_100011261437 [0,0,1,0,0,1|2,0,0]=4 5645 B18R2.78977 CCN(Cc1ccsc1)Cc2ccccc2C 269982a_100000201206_100011233845 [0,0,1,0,0,1|2,0,0]=4 5646 B18R2.78977 CCN(Cc1ccsc1)Cc2ccccc2C 270004a_100000201206_100000188534 [0,0,1,0,0,1|2,0,0]=4 5647 B18R2.78977 CCN(Cc1cn[nH]c1)Cc2ccccc2C 270004a_100000201206_100016992096 [0,0,1,0,0,1|2,0,0]=4 5648 B18R2.78977 CCN(Cc1cnco1)Cc2ccccc2C 270004a_100000201206_100000064291 [0,0,1,0,0,1|1,0,1]=4 5649 B18R2.78977 CCN(Cc1cncs1)Cc2ccccc2C 2230a_100000201206_100015185245 [0,0,1,0,0,1|1,0,1]=4 5650 B18R2.78977 CCN(Cc1cncs1)Cc2ccccc2C 269982a_100000201206_100015185245 [0,0,1,0,0,1|1,0,1]=4 5651 B18R2.78977 CCN(Cc1cncs1)Cc2ccccc2C 270004a_100000201206_100000749870 [0,0,1,0,0,1|1,0,1]=4 5652 B18R2.78977 CCN(Cc1cocn1)Cc2ccccc2C 270004a_100000201206_100000050382 [0,0,1,0,0,1|1,0,0]=3 5653 B18R2.78977 CCN(Cc1cocn1)Cc2ccccc2Cl 270004a_100000201176_100000050382 [0,0,1,0,0,1|2,0,0]=4 5654 B18R2.78977 CCN(Cc1cocn1)Cc2ccccc2F 270004a_100015186831_100000050382 [0,0,1,0,0,1|2,0,0]=4 5655 B18R2.78977 CCN(Cc1cocn1)Cc2ccccc2O 270004a_100011223546_100000050382 [0,0,1,0,0,1|2,0,0]=4 5656 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2C 2230a_100000201206_100000205941 [0,0,1,0,0,1|1,0,0]=3 5657 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2C 269982a_100000201206_100000205941 [0,0,1,0,0,1|1,0,0]=3 5658 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2C 270004a_100000201206_100000743575 [0,0,1,0,0,1|1,0,0]=3 5659 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2Cl 2230a_100000201176_100000205941 [0,0,1,0,0,1|2,0,0]=4 5660 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2Cl 269982a_100000201176_100000205941 [0,0,1,0,0,1|2,0,0]=4 5661 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2Cl 270004a_100000201176_100000743575 [0,0,1,0,0,1|2,0,0]=4 5662 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2F 2230a_100015186831_100000205941 [0,0,1,0,0,1|2,0,0]=4 5663 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2F 269982a_100015186831_100000205941 [0,0,1,0,0,1|2,0,0]=4 5664 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2F 270004a_100015186831_100000743575 [0,0,1,0,0,1|2,0,0]=4 5665 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2F 34a_100015186831_100000205941 [0,0,1,0,0,1|2,0,0]=4 5666 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2O 2230a_100011223546_100000205941 [0,0,1,0,0,1|2,0,0]=4 5667 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2O 269982a_100011223546_100000205941 [0,0,1,0,0,1|2,0,0]=4 5668 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2O 270004a_100011223546_100000743575 [0,0,1,0,0,1|2,0,0]=4 5669 B18R2.78977 CCN(Cc1csnn1)Cc2ccccc2C 270004a_100000201206_100000738508 [0,0,1,0,0,1|2,0,0]=4 5670 B18R2.78977 CCN(Cc1ncc[nH]1)Cc2ccccc2C 2230a_100000201206_100016991755 [0,0,1,0,0,1|2,0,0]=4 5671 B18R2.78977 CCN(Cc1ncc[nH]1)Cc2ccccc2C 269982a_100000201206_100016991755 [0,0,1,0,0,1|2,0,0]=4 5672 B18R2.78977 CCN(Cc1ncco1)Cc2ccccc2C 2230a_100000201206_103436540062 [0,0,1,0,0,1|2,0,0]=4 5673 B18R2.78977 CCN(Cc1ncco1)Cc2ccccc2C 269982a_100000201206_103436540062 [0,0,1,0,0,1|2,0,0]=4 5674 B18R2.78977 CCN(Cc1ncco1)Cc2ccccc2C 270004a_100000201206_100000064290 [0,0,1,0,0,1|2,0,0]=4 5675 B18R2.78977 CCN(Cc1nccs1)Cc2ccccc2C 2230a_100000201206_100015184050 [0,0,1,0,0,1|2,0,0]=4 5676 B18R2.78977 CCN(Cc1nccs1)Cc2ccccc2C 269982a_100000201206_100015184050 [0,0,1,0,0,1|2,0,0]=4 5677 B18R2.78977 CCN(Cc1nccs1)Cc2ccccc2C 270004a_100000201206_100000750902 [0,0,1,0,0,1|2,0,0]=4 5678 B18R2.78977 CCN(Cc1ncon1)Cc2ccccc2C 269982a_100000201206_100000233494 [0,0,1,0,0,1|2,0,0]=4 5679 B18R2.251288 CCC(NCc1c[nH]cn1)c2ncccc2C 2230a_200011536107_100000707719 [0,0,1,0,0,1|2,0,0]=4 5680 B18R2.251288 CCC(NCc1cocn1)c2ccccc2C 269862a_100015188801_100011350723 [0,0,1,0,0,1|2,0,0]=4 5681 B18R2.251288 CCC(NCc1cscn1)c2ccccc2C 269862a_100015185402_100011350723 [0,0,1,0,0,1|2,0,0]=4 5682 B18R2.251288 CCC(OCc1c[nH]cn1)c2ccccc2F 34a_200011689290_100000707719 [0,0,1,0,0,1|2,0,0]=4 5683 B18R2.251288 CCN(CCc1c[nH]cn1)c2ccccc2Br 2230a_114873767003_100020628418 [0,0,1,0,0,1|1,0,0]=3 5684 B18R2.251288 CCN(CCc1c[nH]cn1)c2ccccc2Br 269982a_114873767003_100020628418 [0,0,1,0,0,1|1,0,0]=3 5685 B18R2.251288 CCN(CCc1c[nH]cn1)c2ccccc2C 2230a_100000211084_100020628418 [0,0,1,0,0,1|0,0,0]=2 5686 B18R2.251288 CCN(CCc1c[nH]cn1)c2ccccc2C 269982a_100000211084_100020628418 [0,0,1,0,0,1|0,0,0]=2 5687 B18R2.251288 CCN(CCc1c[nH]cn1)c2ccccc2F 2230a_100000220365_100020628418 [0,0,1,0,0,1|1,0,0]=3 5688 B18R2.251288 CCN(CCc1c[nH]cn1)c2ccccc2F 269982a_100000220365_100020628418 [0,0,1,0,0,1|1,0,0]=3 5689 B18R2.251288 CCN(CCc1c[nH]cn1)c2ccccc2O 269982a_103624766699_100020628418 [0,0,1,0,0,1|1,0,0]=3 5690 B18R2.251288 CCN(CCc1cccs1)c2ccccc2C 2230a_100000211084_100000748579 [0,0,1,0,0,1|2,0,0]=4 5691 B18R2.251288 CCN(CCc1cccs1)c2ccccc2C 269982a_100000211084_100000748579 [0,0,1,0,0,1|2,0,0]=4 5692 B18R2.251288 CCN(CCc1cccs1)c2ccccc2C 34a_100000211084_100000748579 [0,0,1,0,0,1|2,0,0]=4 5693 B18R2.251288 CCN(CCc1cn[nH]c1)c2ccccc2C 2230a_100000211084_100000743252 [0,0,1,0,0,1|2,0,0]=4 5694 B18R2.251288 CCN(CCc1cn[nH]c1)c2ccccc2C 269982a_100000211084_100000743252 [0,0,1,0,0,1|2,0,0]=4 5695 B18R2.251288 CCN(CCn1cccn1)c2ccccc2C 2230a_100000211084_100000685285 [0,0,1,0,0,1|2,0,0]=4 5696 B18R2.251288 CCN(CCn1cccn1)c2ccccc2C 269982a_100000211084_100000685285 [0,0,1,0,0,1|2,0,0]=4 5697 B18R2.251288 CCN(CCn1cccn1)c2ccccc2C 34a_100000211084_100015204718 [0,0,1,0,0,1|2,0,0]=4 5698 B18R2.251288 CCN(CCn1cncn1)c2ccccc2C 2230a_100000211084_100000731791 [0,0,1,0,0,1|1,0,1]=4 5699 B18R2.251288 CCN(CCn1cncn1)c2ccccc2C 269982a_100000211084_100000731791 [0,0,1,0,0,1|1,0,1]=4 5700 B18R2.251288 CCN(CCn1cncn1)c2ccccc2C 34a_100000211084_200000749826 [0,0,1,0,0,1|1,0,1]=4 5701 B18R2.251288 CC[C@H](NCc1c[nH]cn1)c2ccccc2Cl 2230a_200016987949_100000707719 [0,0,1,0,0,1|2,0,0]=4 5702 B18R2.251288 CC[C@H](NCc1c[nH]cn1)c2ccccc2Cl 34a_200016987949_100000707719 [0,0,1,0,0,1|2,0,0]=4 5703 B18R2.251288 CC[C@H](NCc1c[nH]cn1)c2ccccc2F 2230a_100015190424_100000707719 [0,0,1,0,0,1|2,0,0]=4 5704 B18R2.251288 CC[C@H](NCc1c[nH]cn1)c2ccccc2F 34a_100015190424_100000707719 [0,0,1,0,0,1|2,0,0]=4 5705 B20R3.2720 c1ccc(nc1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000209966 [0,0,0,0,0,2|2,0,0]=4 5706 B20R3.2720 c1ccc(nc1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000209966 [0,0,0,0,0,2|2,0,0]=4 5707 B20R3.2720 c1ccc(nc1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000721315 [0,0,0,0,0,2|2,0,0]=4 5708 B20R3.2720 c1ccc(nc1)COC2CCCc3c2cccc3 34a_100000183665_100000721315 [0,0,0,0,0,2|2,0,0]=4 5709 B20R3.2720 c1ccc(nc1)COC2CCCc3c2cccc3 7a_100000183665_100000721315 [0,0,0,0,0,2|2,0,0]=4 5710 B20R3.2720 c1ccc2c(c1)CCCC2NCc3cncnc3 269862a_100011243677_100000210882 [0,0,0,0,0,2|1,0,1]=4 5711 B20R3.2720 c1ccc2c(c1)CCCC2OCc3cnccn3 34a_100000183665_100016995436 [0,0,0,0,0,2|1,0,1]=4 5712 B20R3.2720 c1ccc2c(c1)CCCC2OCc3cnccn3 7a_100000183665_100016995436 [0,0,0,0,0,2|1,0,1]=4 5713 B20R3.2720 c1ccc2c(c1)CCCC2OCc3cncnc3 34a_100000183665_100015196519 [0,0,0,0,0,2|1,0,1]=4 5714 B20R3.2720 c1ccc2c(c1)CCCC2OCc3cncnc3 7a_100000183665_100015196519 [0,0,0,0,0,2|1,0,1]=4 5715 B20R3.2720 c1ccc2c(c1)CCC[C@@H]2NCc3cnccn3 270004a_100020654734_100000749867 [0,0,0,0,0,2|1,0,1]=4 5716 B20R3.2720 c1ccc2c(c1)CCC[C@@H]2NCc3cnccn3 34a_100020654734_100016995436 [0,0,0,0,0,2|1,0,1]=4 5717 B20R3.2720 c1ccc2c(c1)CCC[C@@H]2NCc3cncnc3 270004a_100020654734_100000749868 [0,0,0,0,0,2|1,0,1]=4 5718 B20R3.2720 c1ccc2c(c1)CCC[C@@H]2NCc3cncnc3 34a_100020654734_100015196519 [0,0,0,0,0,2|1,0,1]=4 5719 B20R3.2720 c1cnc(nc1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100011532527 [0,0,0,0,0,2|2,0,0]=4 5720 B20R3.2720 c1cnc(nc1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000703007 [0,0,0,0,0,2|2,0,0]=4 5721 B20R3.2720 c1cnc(nc1)COC2CCCc3c2cccc3 34a_100000183665_100000703007 [0,0,0,0,0,2|2,0,0]=4 5722 B20R3.2720 c1cnc(nc1)COC2CCCc3c2cccc3 7a_100000183665_100000703007 [0,0,0,0,0,2|2,0,0]=4 5723 B20R3.2720 c1cncc(c1)CNC2CCCc3c2cccc3 269862a_100000210453_100000210882 [0,0,0,0,0,2|2,0,0]=4 5724 B20R3.2720 c1cncc(c1)CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000209961 [0,0,0,0,0,2|2,0,0]=4 5725 B20R3.2720 c1cncc(c1)CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000209961 [0,0,0,0,0,2|2,0,0]=4 5726 B20R3.2720 c1cncc(c1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000733263 [0,0,0,0,0,2|2,0,0]=4 5727 B20R3.2720 c1cncc(c1)COC2CCCc3c2cccc3 34a_100000183665_100000733263 [0,0,0,0,0,2|2,0,0]=4 5728 B20R3.2720 c1cncc(c1)COC2CCCc3c2cccc3 7a_100000183665_100000741622 [0,0,0,0,0,2|2,0,0]=4 5729 B20R3.2720 c1cnnc(c1)CNC2CCCc3c2cccc3 269862a_100159270163_100000210882 [0,0,0,0,0,2|2,0,0]=4 5730 B20R3.2720 c1cnnc(c1)CN[C@H]2CCCc3c2cccc3 34a_100020654734_100016990269 [0,0,0,0,0,2|2,0,0]=4 5731 B20R3.2720 c1cnnc(c1)COC2CCCc3c2cccc3 34a_100000183665_100016990269 [0,0,0,0,0,2|2,0,0]=4 5732 B20R3.2720 c1cnnc(c1)COC2CCCc3c2cccc3 7a_100000183665_100016990269 [0,0,0,0,0,2|2,0,0]=4 5733 B20R3.2736 c1ccc(cc1)CN2CCCc3ccccc3C2 2230a_100000059810_100015291786 [0,0,0,0,0,2|2,0,0]=4 5734 B20R3.2736 c1ccc(cc1)CN2CCCc3ccccc3C2 269982a_100000059810_100000211182 [0,0,0,0,0,2|2,0,0]=4 5735 B20R3.2736 c1ccc(cc1)CN2CCCc3ccccc3C2 270004a_100000059810_100015611070 [0,0,0,0,0,2|2,0,0]=4 5736 B20R3.2736 c1ccc(cc1)CN2CCCc3ccccc3C2 34a_100000059810_100015291786 [0,0,0,0,0,2|2,0,0]=4 5737 B20R3.2736 c1ccc(nc1)CN2CCCc3ccccc3C2 2230a_100000059810_100000721315 [0,0,0,0,0,2|1,0,0]=3 5738 B20R3.2736 c1ccc(nc1)CN2CCCc3ccccc3C2 269982a_100000059810_100000721315 [0,0,0,0,0,2|1,0,0]=3 5739 B20R3.2736 c1ccc(nc1)CN2CCCc3ccccc3C2 270004a_100000059810_100000209966 [0,0,0,0,0,2|1,0,0]=3 5740 B20R3.2736 c1ccc(nc1)CN2CCCc3ccccc3C2 34a_100000059810_100000721315 [0,0,0,0,0,2|1,0,0]=3 5741 B20R3.2736 c1ccc(nc1)CN2CCOc3ccccc3C2 2230a_100000744108_100000721315 [0,0,0,0,0,2|2,0,0]=4 5742 B20R3.2736 c1ccc(nc1)CN2CCOc3ccccc3C2 269982a_100000744108_100000721315 [0,0,0,0,0,2|2,0,0]=4 5743 B20R3.2736 c1ccc(nc1)CN2CCOc3ccccc3C2 270004a_100000744108_100000209966 [0,0,0,0,0,2|2,0,0]=4 5744 B20R3.2736 c1ccc(nc1)CN2CCOc3ccccc3C2 34a_100000744108_100000721315 [0,0,0,0,0,2|2,0,0]=4 5745 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3ccncc3 2230a_100000059810_100015193705 [0,0,0,0,0,2|1,0,1]=4 5746 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3ccncc3 269982a_100000059810_100015193705 [0,0,0,0,0,2|1,0,1]=4 5747 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3ccnnc3 270004a_100000059810_100011934578 [0,0,0,0,0,2|1,0,1]=4 5748 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cnccn3 2230a_100000059810_100016995436 [0,0,0,0,0,2|0,0,1]=3 5749 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cnccn3 269982a_100000059810_100016995436 [0,0,0,0,0,2|0,0,1]=3 5750 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cnccn3 270004a_100000059810_100000749867 [0,0,0,0,0,2|0,0,1]=3 5751 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cnccn3 34a_100000059810_100016995436 [0,0,0,0,0,2|0,0,1]=3 5752 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cncnc3 2230a_100000059810_100015196519 [0,0,0,0,0,2|0,0,1]=3 5753 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cncnc3 269982a_100000059810_100016991940 [0,0,0,0,0,2|0,0,1]=3 5754 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cncnc3 270004a_100000059810_100000749868 [0,0,0,0,0,2|0,0,1]=3 5755 B20R3.2736 c1ccc2c(c1)CCCN(C2)Cc3cncnc3 34a_100000059810_100015196519 [0,0,0,0,0,2|0,0,1]=3 5756 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cnccn3 2230a_100000744108_100016995436 [0,0,0,0,0,2|1,0,1]=4 5757 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cnccn3 269982a_100000744108_100016995436 [0,0,0,0,0,2|1,0,1]=4 5758 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cnccn3 270004a_100000744108_100000749867 [0,0,0,0,0,2|1,0,1]=4 5759 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cnccn3 34a_100000744108_100016995436 [0,0,0,0,0,2|1,0,1]=4 5760 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cncnc3 2230a_100000744108_100015196519 [0,0,0,0,0,2|1,0,1]=4 5761 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cncnc3 269982a_100000744108_100016991940 [0,0,0,0,0,2|1,0,1]=4 5762 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cncnc3 270004a_100000744108_100000749868 [0,0,0,0,0,2|1,0,1]=4 5763 B20R3.2736 c1ccc2c(c1)CN(CCO2)Cc3cncnc3 34a_100000744108_100015196519 [0,0,0,0,0,2|1,0,1]=4 5764 B20R3.2736 c1cnc(nc1)CN2CCCc3ccccc3C2 2230a_100000059810_100000703007 [0,0,0,0,0,2|1,0,0]=3 5765 B20R3.2736 c1cnc(nc1)CN2CCCc3ccccc3C2 269982a_100000059810_100000703007 [0,0,0,0,0,2|1,0,0]=3 5766 B20R3.2736 c1cnc(nc1)CN2CCCc3ccccc3C2 270004a_100000059810_100011532527 [0,0,0,0,0,2|1,0,0]=3 5767 B20R3.2736 c1cnc(nc1)CN2CCCc3ccccc3C2 34a_100000059810_100000703007 [0,0,0,0,0,2|1,0,0]=3 5768 B20R3.2736 c1cnc(nc1)CN2CCOc3ccccc3C2 2230a_100000744108_100000703007 [0,0,0,0,0,2|2,0,0]=4 5769 B20R3.2736 c1cnc(nc1)CN2CCOc3ccccc3C2 269982a_100000744108_100000703007 [0,0,0,0,0,2|2,0,0]=4 5770 B20R3.2736 c1cnc(nc1)CN2CCOc3ccccc3C2 270004a_100000744108_100011532527 [0,0,0,0,0,2|2,0,0]=4 5771 B20R3.2736 c1cnc(nc1)CN2CCOc3ccccc3C2 34a_100000744108_100000703007 [0,0,0,0,0,2|2,0,0]=4 5772 B20R3.2736 c1cncc(c1)CN2CCCc3ccccc3C2 2230a_100000059810_100000741622 [0,0,0,0,0,2|1,0,0]=3 5773 B20R3.2736 c1cncc(c1)CN2CCCc3ccccc3C2 269982a_100000059810_100000733263 [0,0,0,0,0,2|1,0,0]=3 5774 B20R3.2736 c1cncc(c1)CN2CCCc3ccccc3C2 270004a_100000059810_100000209961 [0,0,0,0,0,2|1,0,0]=3 5775 B20R3.2736 c1cncc(c1)CN2CCCc3ccccc3C2 34a_100000059810_100000733263 [0,0,0,0,0,2|1,0,0]=3 5776 B20R3.2736 c1cncc(c1)CN2CCOc3ccccc3C2 2230a_100000744108_100000741622 [0,0,0,0,0,2|2,0,0]=4 5777 B20R3.2736 c1cncc(c1)CN2CCOc3ccccc3C2 269982a_100000744108_100000733263 [0,0,0,0,0,2|2,0,0]=4 5778 B20R3.2736 c1cncc(c1)CN2CCOc3ccccc3C2 270004a_100000744108_100000209961 [0,0,0,0,0,2|2,0,0]=4 5779 B20R3.2736 c1cncc(c1)CN2CCOc3ccccc3C2 34a_100000744108_100000733263 [0,0,0,0,0,2|2,0,0]=4 5780 B20R3.2736 c1cnnc(c1)CN2CCCc3ccccc3C2 2230a_100000059810_100016990269 [0,0,0,0,0,2|1,0,0]=3 5781 B20R3.2736 c1cnnc(c1)CN2CCCc3ccccc3C2 34a_100000059810_100016990269 [0,0,0,0,0,2|1,0,0]=3 5782 B20R3.2736 c1cnnc(c1)CN2CCOc3ccccc3C2 2230a_100000744108_100016990269 [0,0,0,0,0,2|2,0,0]=4 5783 B20R3.2736 c1cnnc(c1)CN2CCOc3ccccc3C2 34a_100000744108_100016990269 [0,0,0,0,0,2|2,0,0]=4 5784 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCc3c[nH]cn3 2230a_100000059810_100020628418 [0,0,0,0,0,2|0,0,0]=2 5785 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCc3c[nH]cn3 269982a_100000059810_100020628418 [0,0,0,0,0,2|0,0,0]=2 5786 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCc3cn[nH]c3 2230a_100000059810_100000743252 [0,0,0,0,0,2|2,0,0]=4 5787 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCc3cn[nH]c3 269982a_100000059810_100000743252 [0,0,0,0,0,2|2,0,0]=4 5788 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCn3cccn3 2230a_100000059810_100000685285 [0,0,0,0,0,2|2,0,0]=4 5789 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCn3cccn3 269982a_100000059810_100000685285 [0,0,0,0,0,2|2,0,0]=4 5790 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCn3cccn3 34a_100000059810_100015204718 [0,0,0,0,0,2|2,0,0]=4 5791 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCn3cncn3 2230a_100000059810_100000731791 [0,0,0,0,0,2|1,0,1]=4 5792 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCn3cncn3 269982a_100000059810_100000731791 [0,0,0,0,0,2|1,0,1]=4 5793 B20R3.105074 c1ccc2c(c1)CCCN(C2)CCn3cncn3 34a_100000059810_200000749826 [0,0,0,0,0,2|1,0,1]=4 5794 B20R3.105074 c1ccc2c(c1)CN(CCO2)CCc3c[nH]cn3 2230a_100000744108_100020628418 [0,0,0,0,0,2|1,0,0]=3 5795 B20R3.105074 c1ccc2c(c1)CN(CCO2)CCc3c[nH]cn3 269982a_100000744108_100020628418 [0,0,0,0,0,2|1,0,0]=3 5796 B20R3.105074 c1csc(c1)CCN2CCCc3ccccc3C2 2230a_100000059810_100000748579 [0,0,0,0,0,2|2,0,0]=4 5797 B20R3.105074 c1csc(c1)CCN2CCCc3ccccc3C2 269982a_100000059810_100000748579 [0,0,0,0,0,2|2,0,0]=4 5798 B20R3.105074 c1csc(c1)CCN2CCCc3ccccc3C2 34a_100000059810_100000748579 [0,0,0,0,0,2|2,0,0]=4 5799 B20R3.6261 c1cc2c(cn1)CCCC2NCCc3c[nH]cn3 2230a_100020634316_100020628418 [0,0,0,0,0,2|2,0,0]=4 5800 B20R3.6261 c1ccc2c(c1)CCCC2OCCc3c[nH]cn3 7a_100000183665_100020628418 [0,0,0,0,0,2|1,0,0]=3 5801 B20R3.6261 c1ccc2c(c1)CCCN2CCNc3ncns3 27a_100011200932_100000693119 [0,0,0,0,0,2|1,0,1]=4 5802 B20R3.6261 c1ccc2c(c1)CCOC2CNCc3c[nH]cn3 2230a_100000755408_100000707719 [0,0,0,0,0,2|2,0,0]=4 5803 B20R3.6261 c1ccc2c(c1)CCOC2CNCc3c[nH]cn3 34a_100000755408_100000707719 [0,0,0,0,0,2|2,0,0]=4 5804 B20R3.6261 c1ccc2c(c1)OCCC2NCCc3c[nH]cn3 2230a_100015190321_100020628418 [0,0,0,0,0,2|2,0,0]=4 5805 B20R3.6261 c1ccc2c(c1)OCCC2OCCc3c[nH]cn3 7a_100000708930_100020628418 [0,0,0,0,0,2|2,0,0]=4 5806 B20R3.6261 c1cnc2c(c1)CCCC2NCCc3c[nH]cn3 2230a_100011259139_100020628418 [0,0,0,0,0,2|2,0,0]=4 5807 B20R3.30044 c1ccc2c(c1)CCCCC2NCc3cocn3 269862a_100015188801_100000184060 [0,0,0,0,0,2|2,0,0]=4 5808 B20R3.30044 c1ccc2c(c1)CCCCC2NCc3cscn3 269862a_100015185402_100000184060 [0,0,0,0,0,2|2,0,0]=4 5809 B20R3.30044 c1ccc2c(c1)OCCCC2NCc3cocn3 269862a_100015188801_100000750279 [0,0,0,0,0,2|2,0,0]=4 5810 B20R3.30044 c1ccc2c(c1)OCCCC2NCc3cscn3 269862a_100015185402_100000750279 [0,0,0,0,0,2|2,0,0]=4