Compound Name

SMILES String

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F

CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc1C(F)(F)F

Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cccc(c1)C(C)(C)C#N

Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cc(cc(c1)N1CCOCC1)N1CCOCC1

CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnoc3)c2)CC1

CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnn(C)c3)c2)CC1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1

Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)CC)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(N)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cnn(C)c5)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(C)=O)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5CNC5)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NN(C)C)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn(C)n5)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5COC5)ncn4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnn(C)c5)n4)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnoc5)n4)c3)cc2C(F)(F)F)CC1

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

CCCn1c2ccc(CO)cc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O

NC(=O)c1cccc(c1)C(=O)\N=c1/[nH]c2cc(CN3CCCCC3)ccc2n1C1CC[C@H](O)CC1 |r,wU:31.35,(7.11,15.57,;7.88,16.91,;9.42,16.91,;7.11,18.24,;7.88,19.57,;7.11,20.91,;5.57,20.91,;4.8,19.57,;5.57,18.24,;3.26,19.57,;2.49,20.91,;2.49,18.24,;.95,18.24,;.05,19.49,;-1.42,19.01,;-2.75,19.78,;-4.09,19.01,;-5.42,19.78,;-6.75,19.01,;-8.09,19.78,;-9.42,19.01,;-9.42,17.47,;-8.09,16.7,;-6.75,17.47,;-4.09,17.47,;-2.75,16.7,;-1.42,17.47,;.05,16.99,;.52,15.53,;-.51,14.39,;-.03,12.92,;1.47,12.6,;1.95,11.14,;2.5,13.75,;2.03,15.21,)|

CCCn1c2cc(CO)ccc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O

CCCn1c2cc(CN3CCCCC3)ccc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O

NC(=O)c1cccc(c1)C(=O)\N=c1/[nH]c2ccc(CN3CCCCC3)cc2n1C1CC[C@H](O)CC1 |r,wU:31.35,(7.11,-16.44,;7.88,-15.11,;9.42,-15.11,;7.11,-13.77,;7.88,-12.44,;7.11,-11.11,;5.57,-11.11,;4.8,-12.44,;5.57,-13.77,;3.26,-12.44,;2.49,-11.11,;2.49,-13.77,;.95,-13.77,;.05,-12.53,;-1.42,-13,;-2.75,-12.23,;-4.09,-13,;-4.09,-14.54,;-5.42,-15.31,;-6.75,-14.54,;-6.75,-13,;-8.09,-12.23,;-9.42,-13,;-9.42,-14.54,;-8.09,-15.31,;-2.75,-15.31,;-1.42,-14.54,;.05,-15.02,;.52,-16.48,;-.51,-17.63,;-.03,-19.09,;1.47,-19.41,;1.95,-20.88,;2.5,-18.27,;2.03,-16.8,)|

NC(=O)c1cccc(c1)C(=O)\N=c1/[nH]c2ccc(CO)cc2n1C1CC[C@H](O)CC1 |r,wU:26.29,(6.13,-28.42,;6.9,-27.09,;8.44,-27.09,;6.13,-25.76,;6.9,-24.42,;6.13,-23.09,;4.59,-23.09,;3.82,-24.42,;4.59,-25.76,;2.28,-24.42,;1.51,-23.09,;1.51,-25.76,;-.03,-25.76,;-.94,-24.51,;-2.4,-24.99,;-3.73,-24.22,;-5.07,-24.99,;-5.07,-26.53,;-6.4,-27.3,;-7.73,-26.53,;-3.73,-27.3,;-2.4,-26.53,;-.94,-27,;-.46,-28.47,;-1.49,-29.61,;-1.01,-31.08,;.49,-31.4,;.97,-32.86,;1.52,-30.25,;1.05,-28.79,)|

CCCn1c2ccc(CN3CCCCC3)cc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O

CCCn1c2cc(CN(C)C)ccc2[nH]\c1=N/C(=O)c1cccc(c1)C(N)=O

CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12

[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|

CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O

CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12

CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12

CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO

Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|

COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r|

C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12