Compound Name

SMILES String

NCc1c(nc2ccccn12)-c1ccccc1

NCc1c(nc2ccccn12)-c1cccc(Cl)c1

NCc1c(nc2ccccn12)-c1ccc(Cl)cc1

NCc1c(nc2ccccn12)-c1ccc(Cl)cc1Cl

NCc1c(nc2ccccn12)-c1cc(Cl)ccc1Cl

Cc1ccccc1-c1nc2ccccn2c1CN

NCc1c(nc2ccccn12)-c1ccc(Br)cc1

Cc1ccc(cc1)-c1nc2ccc(C)cn2c1CN

Cc1ccc(cc1)-c1nc2cc(C)ccn2c1CN

Cc1ccc(cc1)-c1nc2c(C)cccn2c1CN

COC(=O)c1ccc2nc(c(CN)n2c1)-c1ccc(C)cc1

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|

Cc1c(C(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C

Cc1c(-c2c(cnc3ncnn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(2.21,6.35,;3.68,6.83,;4.92,5.92,;4.92,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;7.59,4.38,;6.82,5.72,;8.36,3.05,;8.92,5.15,;8.92,6.69,;10.26,7.46,;11.59,6.69,;11.59,5.15,;10.26,4.38,;6.17,6.83,;7.63,6.35,;5.69,8.29,;6.6,9.54,;5.97,10.95,;6.88,12.19,;8.41,12.03,;9.04,10.62,;8.13,9.38,;4.15,8.29,;3.25,9.54,)|

Cc1c(-c2c(cnc3c(cnn23)C#N)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(2.21,6.35,;3.68,6.83,;4.92,5.92,;4.92,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;1.65,.13,;1.17,-1.33,;7.59,4.38,;6.82,5.72,;8.36,3.05,;8.92,5.15,;8.92,6.69,;10.26,7.46,;11.59,6.69,;11.59,5.15,;10.26,4.38,;6.17,6.83,;7.63,6.35,;5.69,8.29,;6.6,9.54,;5.97,10.95,;6.88,12.19,;8.41,12.03,;9.04,10.62,;8.13,9.38,;4.15,8.29,;3.25,9.54,)|

Cc1c(-c2c(cnc3cc(nn23)-c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(2.21,6.35,;3.68,6.83,;4.92,5.92,;4.92,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;-.32,2.84,;-1.09,1.51,;-2.63,1.51,;-3.4,2.84,;-2.63,4.18,;-1.09,4.18,;7.59,4.38,;6.82,5.72,;8.36,3.05,;8.92,5.15,;8.92,6.69,;10.26,7.46,;11.59,6.69,;11.59,5.15,;10.26,4.38,;6.17,6.83,;7.63,6.35,;5.69,8.29,;6.6,9.54,;5.97,10.95,;6.88,12.19,;8.41,12.03,;9.04,10.62,;8.13,9.38,;4.15,8.29,;3.25,9.54,)|

Cc1c(-c2c(cnc3nnnn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(2.21,6.35,;3.68,6.83,;4.92,5.92,;4.92,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;7.59,4.38,;6.82,5.72,;8.36,3.05,;8.92,5.15,;8.92,6.69,;10.26,7.46,;11.59,6.69,;11.59,5.15,;10.26,4.38,;6.17,6.83,;7.63,6.35,;5.69,8.29,;6.6,9.54,;5.97,10.95,;6.88,12.19,;8.41,12.03,;9.04,10.62,;8.13,9.38,;4.15,8.29,;3.25,9.54,)|

Cc1c(-c2c(cnc3nc4ccccc4n23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(9.96,8.33,;8.42,8.41,;7.45,7.21,;7.85,5.72,;9.34,5.32,;9.74,3.84,;8.65,2.75,;7.16,3.15,;5.87,2.31,;4.67,3.28,;3.15,3.04,;2.18,4.23,;2.73,5.67,;4.26,5.91,;5.22,4.71,;6.76,4.63,;10.43,6.41,;9.34,7.5,;11.52,5.32,;11.52,7.5,;13,7.1,;14.09,8.19,;13.69,9.68,;12.21,10.08,;11.12,8.99,;6.02,7.76,;4.72,6.92,;6.1,9.3,;4.9,10.27,;5.14,11.79,;3.94,12.76,;2.51,12.21,;2.26,10.69,;3.46,9.72,;7.58,9.7,;8.14,11.14,)|

Cc1c(-c2c(cnc3c4c(C)cc(C)nc4nn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(-1.25,12.4,;.29,12.4,;1.19,11.15,;.72,9.69,;1.75,8.55,;1.27,7.08,;-.23,6.76,;-1.27,7.91,;-2.81,7.91,;-3.84,6.76,;-3.36,5.3,;-5.34,7.08,;-5.82,8.55,;-7.32,8.87,;-4.79,9.69,;-3.28,9.37,;-2.04,10.28,;-.79,9.37,;3.25,8.87,;3.61,7.37,;2.89,10.36,;4.74,9.26,;5.83,8.18,;7.32,8.57,;7.72,10.06,;6.63,11.15,;5.14,10.75,;2.66,11.63,;3.9,10.73,;2.66,13.17,;3.9,14.08,;5.31,13.45,;6.56,14.35,;6.4,15.89,;4.99,16.51,;3.74,15.61,;1.19,13.65,;.72,15.11,)|

Cc1c(-c2cc(n[nH]2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C

Cc1c(-c2cc(nn2-c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(4.04,-11.23,;2.58,-10.76,;2.1,-9.29,;3.01,-8.05,;2.53,-6.58,;3.78,-5.68,;5.02,-6.58,;4.55,-8.05,;5.45,-9.29,;6.99,-9.13,;7.89,-10.38,;7.26,-11.78,;5.73,-11.94,;4.83,-10.7,;3.78,-4.14,;2.24,-4.14,;5.32,-4.14,;3.78,-2.6,;2.45,-1.83,;2.45,-.29,;3.78,.48,;5.11,-.29,;5.11,-1.83,;.56,-9.29,;-.34,-8.05,;.09,-10.76,;-1.38,-11.23,;-1.7,-12.74,;-3.16,-13.21,;-4.31,-12.18,;-3.99,-10.68,;-2.52,-10.2,;1.33,-11.66,;1.33,-13.2,)|

Cc1c(-c2[nH]c(=O)c(cc2S(=O)(=O)c2ccccc2)C#N)c(=O)n(-c2ccccc2)n1C |(-1.38,-2.74,;.09,-3.22,;.56,-4.68,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,;-2.5,-4.36,;-3.91,-4.98,;-1.09,-3.73,;-3.13,-2.95,;-4.66,-2.79,;-5.28,-1.38,;-4.38,-.14,;-2.85,-.3,;-2.22,-1.71,;-3.06,-9.66,;-3.96,-10.91,;2.1,-4.68,;3.01,-5.93,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;6.65,-3.29,;5.19,-3.77,;1.33,-2.31,;1.33,-.77,)|

CCOC(=O)c1cc(c(nc1C)-c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 |(-2.71,-13.72,;-3.34,-12.32,;-2.43,-11.07,;-3.06,-9.66,;-4.59,-9.5,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;6.65,-3.29,;5.19,-3.77,;2.1,-4.68,;3.01,-5.93,;-2.5,-4.36,;-1.09,-3.73,;-3.13,-2.95,;-3.91,-4.98,;-4.07,-6.52,;-5.47,-7.14,;-6.72,-6.24,;-6.56,-4.71,;-5.15,-4.08,)|

CCOC(=O)c1cc(c(nc1-c1ccccc1)-c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 |(-2.71,-13.72,;-3.34,-12.32,;-2.43,-11.07,;-3.06,-9.66,;-4.59,-9.5,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;1.54,-10.15,;2.16,-11.55,;1.26,-12.8,;-.27,-12.64,;-.9,-11.23,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;6.65,-3.29,;5.19,-3.77,;2.1,-4.68,;3.01,-5.93,;-2.5,-4.36,;-1.09,-3.73,;-3.13,-2.95,;-3.91,-4.98,;-4.07,-6.52,;-5.47,-7.14,;-6.72,-6.24,;-6.56,-4.71,;-5.15,-4.08,)|

Cc1c(-c2c(C#N)c3nc4ccccc4n3cc2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(19.46,-10.69,;19.94,-9.22,;19.03,-7.97,;17.49,-7.97,;16.72,-9.31,;17.49,-10.64,;18.26,-11.98,;15.18,-9.31,;14.15,-10.45,;12.74,-9.83,;11.34,-10.45,;10.09,-9.55,;10.25,-8.02,;11.66,-7.39,;12.9,-8.3,;14.41,-7.97,;15.18,-6.64,;16.72,-6.64,;17.49,-5.31,;18.82,-6.08,;16.16,-4.54,;18.26,-3.97,;19.8,-3.97,;20.57,-2.64,;19.8,-1.31,;18.26,-1.31,;17.49,-2.64,;19.94,-6.73,;19.46,-5.26,;21.4,-7.2,;22.65,-6.3,;24.05,-6.93,;25.3,-6.02,;25.14,-4.49,;23.73,-3.86,;22.48,-4.77,;21.4,-8.74,;22.65,-9.65,)|

Cc1nn(-c2ccccc2)c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)c(cc12)S(=O)(=O)c1ccccc1 |(-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.92,-3.73,;-3.45,-2.26,;;1.33,-.77,;2.67,,;4,-.77,;5.41,-.14,;5.73,1.36,;6.44,-1.29,;7.97,-1.13,;5.67,-2.62,;6.29,-4.03,;7.83,-4.19,;8.45,-5.6,;7.55,-6.84,;6.02,-6.68,;5.39,-5.27,;4.16,-2.3,;3.02,-3.33,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.77,.98,;5.33,3.08,;3.23,3.64,;1.69,3.64,;.92,4.98,;1.69,6.31,;3.23,6.31,;4,4.98,)|

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|