Compound Name

SMILES String

c1ccnc(c1)C(=O)Nc2cccc(c2)Cl

Clc1ccc(NC(=O)c2ccco2)cc1Cl

Clc1ccc(NC(=O)c2ccncn2)cc1Cl

Clc1ccc(NC(=O)c2ccsc2)cc1Cl

Clc1ccc(NC(=O)c2ccno2)cc1Cl

Clc1ccc(NC(=O)c2ccccn2)cc1Cl

COc1cc(NC(=O)c2ccccn2)ccc1Cl

COc1cc(NC(=O)c2ccccn2)ccc1F

FC(F)(F)c1cccc(NC(=O)c2ccccn2)c1

FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1

FC(F)Oc1cccc(NC(=O)c2ccccn2)c1

COc1cc(NC(=O)c2ccccn2)ccc1C

COc1ccc(NC(=O)c2ccccn2)cc1OC

O=C(Nc1ccc2OCOc2c1)c1ccccn1

COc1ccc(NC(=O)c2ccccn2)cc1Cl

FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1Cl

Fc1ccc(NC(=O)c2ccccn2)cc1C(F)(F)F

COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl

Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl

Fc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl

Oc1ccc(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(3.08,5.02,;4.54,5.5,;5.02,6.96,;6.56,6.96,;7.04,5.5,;8.5,5.02,;5.79,4.59,;5.79,3.05,;7.12,2.28,;7.12,.74,;5.79,-.03,;5.79,-1.57,;7.12,-2.34,;8.46,-1.57,;7.12,-3.88,;5.79,-4.65,;5.79,-6.19,;7.12,-6.96,;8.46,-6.19,;8.46,-4.65,;4.46,.74,;4.46,2.28,;3.12,3.05,)|

Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccccc2C1=O

Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl

Oc1c2CCCCc2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(7.68,2.7,;7.2,1.24,;5.75,.77,;4.41,1.54,;3.08,.77,;3.08,-.77,;4.41,-1.54,;5.75,-.77,;7.2,-1.24,;7.68,-2.7,;8.1,,;9.64,,;10.41,1.33,;11.95,1.33,;12.72,,;14.26,,;15.03,1.33,;14.26,2.67,;16.57,1.33,;17.34,2.67,;18.88,2.67,;19.65,1.33,;18.88,,;17.34,,;11.95,-1.33,;10.41,-1.33,;9.64,-2.67,)|

Oc1c2[C@H]3CC[C@H](O3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |wU:3.7,wD:6.6,TLB:9:8:7:5.4,THB:1:2:7:5.4,(10.27,3.88,;9.13,2.85,;7.63,3.17,;3.79,4.86,;.97,3.69,;1.37,2.21,;4.19,3.38,;4.93,6.38,;6.86,1.84,;7.89,.7,;7.57,-.81,;9.29,1.32,;10.62,.55,;10.62,-.99,;11.95,-1.76,;13.29,-.99,;14.62,-1.76,;14.62,-3.3,;13.29,-4.07,;15.95,-4.07,;17.29,-3.3,;18.62,-4.07,;18.62,-5.61,;17.29,-6.38,;15.95,-5.61,;13.29,.55,;11.95,1.32,;11.95,2.86,)|

[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|

[H][C@@]12C(C(=O)N(C1=O)c1ccc(NC(=O)c3ccccn3)cc1Cl)[C@@]1([H])CC[C@]2([H])C=C1 |c:34,TLB:6:1:27.26:30.31,THB:3:2:27.26:30.31|

CC1(C)c2c1c(O)n(c2O)-c1ccc(NC(=O)c2ccccn2)cc1Cl |(19.1,-1.33,;18.33,,;19.1,1.33,;17,.77,;17,-.77,;15.54,-1.25,;15.06,-2.71,;14.63,,;15.54,1.25,;15.06,2.71,;13.09,,;12.32,-1.33,;10.78,-1.33,;10.01,,;8.47,,;7.7,-1.33,;8.47,-2.67,;6.16,-1.33,;5.39,,;3.85,,;3.08,-1.33,;3.85,-2.67,;5.39,-2.67,;10.78,1.33,;12.32,1.33,;13.09,2.67,)|

CC1(C)CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl

Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O

Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|

CC1(CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1