Compound Name

SMILES String

Cc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12

CCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12

CNCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12

COCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12

Cc1n[nH]c2ccc(Cl)c(Oc3cc(cc(c3)C#N)C#N)c12

Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12

CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12

Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12

CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl

c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1

CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1

CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1

Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4

Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(OCC(O)=O)cc1

Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

C\C(=C\CCC(=O)Nc1ccc(cc1Cl)-c1ccc(OCC(O)=O)cc1)c1ccc(C)cc1Cl

C\C(=C/CCC(=O)Nc1ccc(cc1Cl)-c1ccc(OCC(O)=O)cc1)c1ccc(C)cc1Cl

Cc1ccc(c(Cl)c1)-c1ccccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

Cc1ccc(c(Cl)c1)-c1ccccc1OCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

Cc1ccc(c(Cl)c1)-n1nncc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

Cc1ccc(c(Cl)c1)-n1nccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

Cc1cnn(c1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1)-c1ccc(C)cc1Cl

Cc1ccc(c(Cl)c1)-n1nccc1OCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

Cc1ccc(-c2c(SCC(=O)Nc3ccc(cc3Cl)-c3ccc(CC(O)=O)cc3)cnn2C)c(Cl)c1 |(-3.68,-4.07,;-3.68,-2.53,;-2.35,-1.76,;-2.35,-.22,;-3.68,.55,;-3.68,2.09,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-2.98,4.48,;-4.52,4.43,;-4.95,2.96,;-6.4,2.44,;-5.02,-.22,;-6.35,.55,;-5.02,-1.76,)|

Cc1ccc(-c2c(SCC(=O)Nc3ccc(cc3Cl)-c3ccc(OCC(O)=O)cc3)ccn2C)c(Cl)c1 |(-3.68,-4.07,;-3.68,-2.53,;-2.35,-1.76,;-2.35,-.22,;-3.68,.55,;-3.68,2.09,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;15.49,-.99,;14.16,-3.3,;11.17,2.64,;9.74,3.22,;-2.98,4.48,;-4.52,4.43,;-4.95,2.96,;-6.4,2.44,;-5.02,-.22,;-6.35,.55,;-5.02,-1.76,)|

Cc1cnc(SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)n1-c1ccc(C)cc1Cl |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-3.68,-4.07,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,)|

Cc1cn(c(SCC(=O)Nc2ccccc2Cl)n1)-c1ccc(C)cc1Cl

Cc1ccc(-c2nnsc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1

Cc1ccc(-c2ncsc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1

Cc1ccc(-c2ncoc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1

Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)|

CC(C)(C)c1ccc(-c2cn[nH]c2OCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1

Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)CO)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;10.02,1.86,;11.51,1.47,;11.11,-.02,;12.6,.38,;12.6,2.55,;14.08,2.16,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)|

Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)C(O)=O)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;10.02,1.86,;11.51,1.47,;11.11,-.02,;12.6,.38,;12.6,2.55,;14.08,2.16,;12.2,4.04,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)|

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12

CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1)C(O)=O

Fc1c(Cc2n[nH]c3c(cccc23)C#N)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N

Nc1cccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(c4)C#N)c3F)n[nH]c12

Cn1ccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(c4)C#N)c3F)[nH]nc2c1=O

Fc1c(Cc2n[nH]c3ncccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N

Fc1c(Cc2n[nH]c3cnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N

Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N

Fc1c(Cc2n[nH]c3nccnc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N

Fc1c(Cc2n[nH]c3nnccc23)ccc(Cl)c1Oc1cc(Cl)cc(c1)C#N

Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(cc(c1)C#N)C#N

Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N