Compound Name

SMILES String

CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7|

CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r|

CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|

CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2

Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F

CCS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC

CCCC(=O)Nc1cc(Nc2ccccc2S(C)(=O)=O)c(cn1)C(=O)NC

CN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O

CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1C(N)=O

CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O

NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O

CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F

NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC1CC1

CNC(=O)c1cnc(Nc2ccccc2)cc1Nc1ccccc1C(N)=O

CNC(=O)c1cnc(Nc2ncccn2)cc1Nc1ccccc1C(N)=O

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(F)c(F)c1OC

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1SC

CNC(=O)c1cnc(Nc2cc(C)ccn2)cc1Nc1ccccc1S(C)(=O)=O

CNC(=O)c1cnc(Nc2ccc(cn2)N2CCOCC2)cc1Nc1ccccc1S(C)(=O)=O

CNC(=O)c1cnc(Nc2ccc(C)nn2)cc1Nc1ccccc1S(C)(=O)=O

CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3

CNC(=O)c1cnc(NC(=O)C(C)C)cc1Nc1ccccc1S(C)(=O)=O

CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O

CNC(=O)c1cnc(Nc2ncccc2F)cc1Nc1ccccc1C(N)=O

CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O

CNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O

CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1OC

[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O

C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N

Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)|

Fc1cnc(Nc2ccc3n(ccc3c2)S(=O)(=O)C(F)(F)F)nc1-c1cnn(CCC#N)c1

Cc1cnc(Nc2cnn(c2)C(F)F)nc1N1CCC2(CCNC2=O)CC1

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F

NC(=O)c1nnc(cc1Nc1ccc(cc1)N1CCOCC1)-c1c(F)cccc1Cl

NC(=O)c1nnc(cc1Nc1ccc(cn1)N1CCOCC1=O)-c1c(F)cccc1F

NC(=O)c1nnc(cc1Nc1ccc(cn1)N1CCOCC1)-c1c(F)cccc1F

CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(c1)[C@@H](C)NC(=O)c1ccccc1S(C)(=O)=O |r|

[2H]C([2H])([2H])Nc1cc(Nc2cc(Cl)cn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r|

CNc1cc(Nc2cccn(-c3cnc(cn3)C(C)(C)O)c2=O)nc2c(cnn12)C(=O)NC1CCC1

CNc1cc(Nc2cccnc2OC)nc2c(cnn12)C(=O)NCC1(CO)CC1

CNc1cc(nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC)-c1cn(C(C)C)c2nnccc12 |r|

CNc1cc(nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC)-c1cnc2n(cccc12)[C@H]1CCOC1 |r|

CNc1cc(nc2n1ncc2C(=O)N[C@@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)c5ccccn5

[2H]C([2H])([2H])O[C@@H]1CC[C@@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12 |r|

COCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccccn2)nc(c1)S(C)(=O)=O

COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(F)cn2)nc(c1)S(C)(=O)=O

COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(cn2)C(C)(C)O)nc(c1)S(C)(=O)=O

COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc3OC(C)(C)COc3n2)nc(c1)S(C)(=O)=O

CO[C@]1(CCOC1)c1cc(C)cc(n1)-n1nc(-c2cnn(C)c2)c2cnc(NC(N)=O)cc12 |r|

CO[C@]1(CCOC1)c1cc(C)cc(n1)-c1cc(C)n2cnc(NC(N)=O)cc12 |r|