473 SMILES Strings for Tyrosine-protein kinase CSK

Compound Name
SMILES String
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12 |c:8,70,73|
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Cn1c(O)csc1=NN=C1SC(=C)C(=O)N1CC=C |w:7.8,9.10|
CC(=C)CN1C(SC(=C)C1=O)=NN=c1scc(O)n1C |w:12.12,5.5|
CN(C)Cc1sc(=NN=c2scc(O)n2C)n(CC(C)=C)c1O |w:8.7|
CC(=C)Cn1c(O)csc1=NN=c1scc(O)n1C |w:11.11|
Cc1sc(=NN=c2scc(O)n2C)n(CC=C)c1O |w:5.4|
CC(=C)Cn1c(O)c(C)sc1=NN=c1scc(O)n1C |w:12.12|
CC(=C)Cn1c(O)c(O)sc1=NN=c1scc(O)n1C |w:12.12|
Cn1c(O)csc1=NN=c1sc(CC(O)=O)c(O)n1CC=C |w:7.8|
CC(=C)Cn1c(O)c(OS(O)=O)sc1=NN=c1scc(O)n1C |w:15.15|
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3ccc(OCCN)cc3)ncc2c1
CCCCCCn1cc(ccc1=O)C(=O)c1ccccc1O
CC(C)n1cc(ccc1=O)C(=O)c1ccccc1O
Oc1ccccc1C(=O)c1ccc(=O)n(c1)C1CCCCC1
CN(C)CCn1cc(ccc1=O)C(=O)c1ccccc1O
CCCCCCn1cc(ccc1=O)C(=O)c1ccc(O)cc1O
CC(C)(C)OC(=O)NCCn1cc(ccc1=O)C(=O)c1ccc(O)cc1O
CCCCCCn1cc(ccc1=O)C(=O)c1ccc(OC)cc1O
COc1ccc(C(=O)c2ccc(=O)n(c2)C(C)C)c(O)c1
COc1ccc(C(=O)c2ccc(=O)n(CCN(C)C)c2)c(O)c1
COc1ccc(C(=O)c2ccc(=O)n(CCNC(=O)OC(C)(C)C)c2)c(O)c1
COc1ccc(C(=O)c2ccc(=O)n(CCO)c2)c(O)c1
CCCCCCn1cc(ccc1=O)C(=O)c1cc(O)ccc1O
CC(C)n1cc(ccc1=O)C(=O)c1cc(O)ccc1O
CCCCCCn1cc(ccc1=O)C(=O)c1cc(OC)ccc1O
COc1ccc(O)c(c1)C(=O)c1ccc(=O)n(c1)C1CCCCC1
COc1ccc(O)c(c1)C(=O)c1ccc(=O)n(CCNC(=O)OC(C)(C)C)c1
CC(C)\N=C(/c1ccc(=O)n(c1)C(C)C)c1ccccc1O
Oc1ccccc1\C(=N\C1CCCCC1)c1ccc(=O)n(c1)C1CCCCC1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CCCN(C1)C(=O)C(Br)=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(Br)=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1nccc(-c2sc(-c3cccc(N4CCC4)n3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)c1F)c1c(F)cccc1F
Nc1nccc(-c2sc(-c3ccc(C(F)(F)F)cc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
COc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)cc1
Nc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)cn1
CCOc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)cn1
O=S(=O)(Nc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(NC3CCNCC3)n2)c1F)c1c(F)cccc1F
COc1cc(N2CCOCC2)ccc1Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CCn1cc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)cn1
Nc1nccc(-c2sc(-c3cncc(Cl)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)nn1
Nc1nccc(-c2sc(-c3ccc(F)cc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(-c3cccc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
COC(=O)N[C@@H](C)CNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)n1
COc1cc(NS(=O)(=O)c2c(F)cccc2F)cc(-c2nc(-c3ccccc3)sc2-c2ccnc(N)n2)c1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2)n1
COc1cc(NS(=O)(=O)c2c(F)cccc2F)cc(-c2nc(-c3cncc(F)c3)sc2-c2ccnc(N)n2)c1
COc5cc(F)c(S(=O)(=O)Nc4cccc(c2nc(c1ccccc1)sc2c3ccnc(N)n3)c4F)c(F)c5
COc1cc(NS(=O)(=O)c2c(F)cccc2F)c(F)c(-c2nc(-c3ccccc3)sc2-c2ccnc(N)n2)c1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccccc3)c2F)n1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cncc(NS(=O)(=O)c3c(F)cccc3F)c2)n1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)n2)n1
COc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)cn1
Nc1nccc(-c2sc(-c3ccc(=O)[nH]c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(-c3cncnc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
COc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)nc1
O=S(=O)(Nc1cccc(-c2nc(-c3ccc(F)cn3)sc2-c2ccnc(NC3CCCC3)n2)c1F)c1c(F)cccc1F
COc1ccc(Nc2nccc(-c3sc(-c4ccc(F)cn4)nc3-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)n2)cn1
COc1ccccc1Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1cc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4)sc3-c3ccnc(N)n3)c2F)c(F)c1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4)sc3-c3ccnc(N)n3)c2F)c1F
CN(C)c1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(Nc3cncnc3)n2)c1F)c1c(F)cccc1F
Nc1nccc(-c2sc(-c3cnccn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1ccnc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)c1
CC(=O)N[C@@H](C)CNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(Nc3cccnc3)n2)c1F)c1c(F)cccc1F
Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)nc1
C[C@H](Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1)C(N)=O
CNC(=O)N[C@@H](C)CNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1cncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)c1
Nc1nccc(-c2sc(-c3cncc(C4CC4)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
C[C@@H](Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1)C(N)=O
COc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4cncc(F)c4)sc3-c3ccnc(N)n3)c2F)c1F
CNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4cc(F)ccn4)sc3-c3ccnc(N)n3)c2F)c1F
CNc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(F)cn4)sc3-c3ccnc(N)n3)c2F)c1F
CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CCNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4ocnc4c3)c2F)n1
CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(Cl)c3F)c2F)n1
COC(=O)NCCNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
COC(=O)N[C@H](C)CNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(-c4cncc(F)c4)sc3-c3ccnc(N)n3)c2F)c1Cl
Nc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1
CNc1nccc(-c2sc(-c3cncnc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc5nccc(c2sc(c1cncc(F)c1)nc2c4cccc(NS(=O)(=O)c3c(F)cc(OC)cc3F)c4F)n5
CNc1nccc(-c2sc(-c3ccc(C)nn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3cncc(F)c3)sc2-c2ccnc(NCCO)n2)c1F)c1c(F)cccc1F
NCCNc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3cncc(F)c3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(F)cccc1F
CNc1nccc(-c2sc(-c3cnc(C)nc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CNc1nccc(-c2sc(-c3ccc(F)cc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CNc1nccc(-c2sc(-c3cccc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CNc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cc(OC)cc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(-c3cncnc3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CNc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc5nccc(c2sc(c1cncc(C(F)(F)F)c1)nc2c4cccc(NS(=O)(=O)c3c(F)cccc3F)c4F)n5
CNc1nccc(-c2sc(-c3cnccn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cc(F)cc3F)c2F)n1
CC(C)Nc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3cncc(F)c3)sc2-c2ccnc(NCCO)n2)c1F)c1c(Cl)cccc1Cl
O=S(=O)(Nc1cccc(-c2nc(-c3cncc(F)c3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(Cl)cccc1Cl
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4c(c3)CNC4=O)c2F)n1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4c(c3)CNC4)c2F)n1
Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3ccc4[nH]ncc4c3)c2F)n1
Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc(-c3ccccc3)n2O)n1
Nc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Cn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1
CCn1c(-c2ccccc2)nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c1-c1ccnc(N)n1
CCn1c(-c2ccccc2)nc(-c2ccnc(N)n2)c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3ccccn23)n1
COc1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
CCc1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
Cc1cccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc12
NC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
CN(C)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(C(=O)O)ccn23)n1
CCOc1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
CNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(OC)ccn23)n1
COc1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)nc2c1
COc1cc2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)n2cc1Cl
N#Cc1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
CNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)nc3c(F)cccn23)n1
CNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)nc3cc(OC)ccn23)n1
CC(C)Oc1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(C(F)(F)F)ccn23)n1
CNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)nc3ccc(F)cn23)n1
CNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)nc3cc(F)ccn23)n1
CN1CCN(c2ccc(Nc3nccc(-c4cn(C5CCCCC5)nc4-c4cccc(NS(=O)(=O)c5c(F)cccc5F)c4F)n3)cn2)CC1
O=S(=O)(Nc1cccc(-c2nn(C3CCCCC3)cc2-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)c1F)c1c(F)cccc1F
Nc1nccc(-c2cn(C3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Nc1nccc(-c2sc(N3CCCC3=O)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(N3CCCC3=O)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(NC)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1
CN1CCN(c2ccc(Nc3nccc(-c4sc(C(C)(C)C)nc4-c4cccc(NS(=O)(=O)c5c(F)cccc5F)c4F)n3)cn2)CC1
CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Nc3ccccc3)n2)s1
O=S(=O)(Nc1cccc(-c2nc(C3CCCCC3)sc2-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)c1F)c1c(F)cccc1F
Nc1nccc(-c2sc(C3CCNCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1
CNc1nccc(-c2sc(N3CCCC3=O)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(F)cn4)sc3-c3ccnc(N)n3)c2F)c1Cl
CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)c2F)n1
CNc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1
CNc1nccc(-c2sc(N3CCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
COc1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)nc2c1
COc1ccn2c(-c3ccnc(NCCO)n3)c(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)nc2c1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4)sc3-c3ccnc(NCCO)n3)c2F)c1F
Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3ccc(F)cn3)sc2-c2ccnc(NCCO)n2)c1F)c1c(Cl)cccc1Cl
CNc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)cc(Cl)cc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3ccc(F)cn3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(Cl)cccc1Cl
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(F)cn4)sc3-c3ccnc(NCCO)n3)c2F)c1Cl
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(F)cn4)sc3-c3ccnc(NC4CC4)n3)c2F)c1Cl
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(-c4cncc(F)c4)sc3-c3ccnc(NCCO)n3)c2F)c1Cl
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(-c4cncc(F)c4)sc3-c3ccnc(NC4CC4)n3)c2F)c1Cl
CNc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cc(Cl)cc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)cccc4Cl)c3F)c(-c3ccnc(N)n3)s2)cn1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)c(-c3ccnc(N)n3)s2)cn1
CNc1nccc(-c2sc(-c3cnc(C)nc3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)c2F)n1
CNc1nccc(-c2sc(-c3cnc(C)cn3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(Cl)cccc4Cl)c3F)nc3cc(OC)ccn23)n1
CNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)nc3cc(OC)ccn23)n1
COc1ccn2c(-c3ccnc(NCCO)n3)c(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)nc2c1
CNc1nccc(-c2sc(-c3cnc(C)nc3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)cccc4Cl)c3F)c(-c3ccnc(NC4CC4)n3)s2)cn1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)cccc4Cl)c3F)c(-c3ccnc(NCCO)n3)s2)cn1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)c(-c3ccnc(NC4CC4)n3)s2)cn1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)c(-c3ccnc(NCCO)n3)s2)cn1
CCN(CC)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(NC)n2)s1
CNc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cc(C)cc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)c(-c3ccnc(NCCO)n3)s2)cn1
Cc1ncc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)c(-c3ccnc(NC4CC4)n3)s2)cn1
CNc1nccc(-c2sc(N(C)C)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
COc1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3cccc(NS(=O)(=O)c4c(Cl)cccc4Cl)c3F)nc2c1
COc1ccn2c(-c3ccnc(NCCO)n3)c(-c3cccc(NS(=O)(=O)c4c(Cl)cccc4Cl)c3F)nc2c1
COc1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)nc2c1
CNc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CNc1nccc(-c2sc(N3CCC(F)(F)C3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(N3CCCCC3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(F)cccc1F
CNc1nccc(-c2sc(N3CCC(F)(F)CC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(NCC(F)(F)F)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4cncc(F)c4)sc3-c3ccnc(NCCO)n3)c2F)c1F
CNc1nccc(-c2sc(N3CC(F)(F)C3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4cncc(F)c4)sc3-c3ccnc(NC4CC4)n3)c2F)c1F
CC(C)Nc1nccc(-c2sc(-c3cncc(F)c3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
O=S(=O)(Nc1cccc(-c2nc(-c3cncc(F)c3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(F)ccc(Cl)c1F
O=S(=O)(Nc1cccc(-c2nc(-c3cncc(F)c3)sc2-c2ccnc(NCCO)n2)c1F)c1c(F)ccc(Cl)c1F
Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)c(-c3ccnc(NC4CC4)n3)s2)nn1
Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(F)ccc(C)c4F)c3F)c(-c3ccnc(NCCO)n3)s2)nn1
Cc1ccc(-c2nc(-c3cccc(NS(=O)(=O)c4c(Cl)ccc(C)c4Cl)c3F)c(-c3ccnc(NC4CC4)n3)s2)nn1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(N4CCCCC4)sc3-c3ccnc(NC4CC4)n3)c2F)c1F
CNc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)c2F)n1
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(N4CCCCC4)sc3-c3ccnc(NCCO)n3)c2F)c1Cl
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(N4CCCCC4)sc3-c3ccnc(NC4CC4)n3)c2F)c1Cl
CNc1nccc(-c2sc(N(C)C)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
CNc1nccc(-c2sc(N(C)CC(F)(F)F)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
CNc1nccc(-c2sc(N(C)C)nc2-c2cccc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)c2F)n1
Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(N(C)C)sc3-c3ccnc(NC4CC4)n3)c2F)c1F
O=S(=O)(Nc1cccc(-c2nc(N3CCCC3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(F)ccc(Cl)c1F
O=S(=O)(Nc1cccc(-c2nc(N3CCCCC3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(F)ccc(Cl)c1F
O=S(=O)(Nc1cccc(-c2nc(N3CCC3)sc2-c2ccnc(NC3CC3)n2)c1F)c1c(F)ccc(Cl)c1F
CN(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)ccc(Cl)c3F)c2F)c(-c2ccnc(NC3CC3)n2)s1
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)ccc(Cl)c3F)c2F)c(-c2ccnc(NC3CC3)n2)s1
CNc1nccc(-c2sc(N3CCC(F)(F)CC3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1
Cn1cnc2ccc(Oc3c(F)ccc(NS(=O)(=O)N4CC[C@@H](F)C4)c3C#N)cc2c1=O
Cn1cnc2ccc(Oc3c(F)ccc(NS(=O)(=O)N4CC[C@H](F)C4)c3C#N)cc2c1=O
CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
CN(C)S(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
Cn1cnc2ccc(Oc3c(Cl)ccc(NS(=O)(=O)N4CCCC4)c3C#N)cc2c1=O
CN(C)S(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1F
Cn1cnc2ccc(Oc3c(Cl)ccc(NS(=O)(=O)N4CCCC4)c3F)cc2c1=O
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC
CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
COc1cc(Nc2nccc(n2)-c2cccnc2)cc(OC)c1OC
COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CNCCO)c1
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
N[C@@H](Cc1ccc(O)cc1)C(=O)N(O)Cc1ccccc1 |r|
N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NO |r|
N[C@@H](CCc1ccc(O)cc1)C(=O)NO |r|
N[C@H](C(=O)NO)c1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(Cl)cc1)C(=O)NO |r|
N[C@@H](Cc1ccc(I)cc1)C(=O)NO |r|
N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)C(=O)NO |r|
N[C@@H](Cc1ccccc1I)C(=O)NO |r|
NNC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(cc1)C#N)C(=O)NO |r|
N[C@@H](Cc1ccccc1)C(=O)NO |r|
N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NO |r|
ONC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=S)NO |r|
N[C@@H](Cc1ccc(Br)cc1)C(=O)NO |r|
N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NO |r|
ONC(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)NO |r|
N[C@@H](Cc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)NO |r|
N[C@@H](Cc1ccc(cc1)B(O)O)C(=O)NO |r|
Cc1ccc(C[C@H](N)C(=O)NO)cc1 |r|
N[C@@H](Cc1ccc(N)cc1)C(=O)NO |r|
N[C@@H](Cc1ccc(F)cc1)C(=O)NO |r|
N[C@@H](Cc1ccc(cc1)N=[N+]=[N-])C(=O)NO |r|
CC(C)c1ccc(C[C@H](N)C(=O)NO)cc1 |r|
N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)NO |r|
Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(N)c([nH]c1-c1ccc(Oc2ccccc2)cc1)C(=O)c1c(F)cccc1F
CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
CCN(CC)CCCC(C)Nc1nc(\C=C\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|
CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N
CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
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
NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r,wU:100.108,111.119,7.6,11.11,25.27,36.38,50.54,86.92,75.81,61.65,(13.76,10.06,;12.41,9.29,;12.41,7.74,;11.08,10.06,;9.74,9.29,;9.74,7.82,;8.46,7.09,;8.46,5.61,;7.19,4.87,;7.19,3.4,;8.46,2.66,;5.91,2.66,;4.63,3.4,;4.63,4.94,;5.88,5.86,;5.4,7.32,;3.86,7.32,;2.83,8.45,;1.32,8.13,;.85,6.67,;1.89,5.54,;3.38,5.86,;5.91,1.19,;4.63,.45,;3.37,1.19,;4.63,-1.02,;3.37,-1.77,;2.08,-1.02,;.81,-1.77,;-.55,-1,;-.55,.55,;-1.89,1.33,;.79,1.33,;5.91,-1.77,;5.9,-3.23,;7.18,-3.98,;4.62,-3.97,;3.35,-3.22,;2,-3.99,;1.83,-5.53,;.32,-5.84,;-.45,-4.5,;-1.95,-4.17,;-2.42,-2.7,;-1.39,-1.56,;.12,-1.89,;.59,-3.36,;4.61,-5.44,;5.89,-6.18,;7.17,-5.45,;5.88,-7.66,;4.6,-8.39,;3.33,-7.64,;1.99,-8.41,;1.98,-9.96,;.64,-10.73,;.64,-12.28,;-.71,-9.95,;7.16,-8.4,;7.15,-9.94,;5.81,-10.71,;8.48,-10.72,;8.48,-12.27,;9.82,-13.04,;9.99,-14.58,;11.5,-14.9,;12.27,-13.56,;13.78,-13.24,;14.26,-11.78,;13.22,-10.63,;11.72,-10.95,;11.24,-12.41,;9.83,-9.95,;9.83,-8.4,;8.49,-7.63,;11.17,-7.63,;12.51,-8.41,;13.85,-7.64,;15.19,-8.42,;16.53,-7.65,;17.87,-8.42,;19.21,-7.65,;17.87,-9.97,;11.18,-6.09,;13.56,-3.23,;14.84,-3.97,;13.56,-1.77,;14.84,-1.02,;16.18,-1.79,;17.59,-1.15,;18.64,-2.3,;17.87,-3.64,;18.34,-5.1,;17.32,-6.25,;15.81,-5.93,;15.33,-4.47,;16.36,-3.32,;12.28,-1.02,;12.28,.45,;11.01,1.19,;13.56,1.19,;14.84,.45,;16.11,1.19,;17.45,.42,;18.8,1.18,;20.13,.41,;21.47,1.17,;20.12,-1.15,;13.56,2.66,;12.28,3.4,;11.01,2.66,;12.28,4.87,;13.56,5.61,;14.9,4.84,;15.07,3.29,;16.58,2.98,;17.35,4.31,;18.86,4.62,;19.34,6.09,;18.3,7.25,;16.8,6.93,;16.33,5.45,;11.01,5.61,;9.74,4.87,;9.74,3.4,)|
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12
Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12
CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(NC(=O)c3cnn4ccccc34)c(Cl)c2)c2ccccc12
COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)cc1C
Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C
COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccc(F)cc23)cc1Cl
CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(c(Cl)c2)-c2ccc(=O)[nH]n2)c2ccccc12
CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)cc1C
CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(NC(=O)c3cnn4ccccc34)cc2)c2ccccc12
COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccc(F)cc23)cc1Cl
Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)cc1Cl
CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1cc(C)c(=O)[nH]n1
CC(C)(C)NC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3ccc(=O)[nH]n3)c3ccccc23)C1
CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)c(C)c1C
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1ccccc1\C=C\c1nc2ccccc2c(=O)[nH]1
Oc1cccc(Nc2nc(\C=C\c3cc4OCOc4cc3Br)nc3ccccc23)c1
CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
COc1ccccc1\C=C\c1nc(Nc2ccc3OCOc3c2)c2ccccc2n1
Oc1cccc(Nc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)nc3ccccc23)c1
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1Cl
Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc(CCOc2ccc(cc2OC)C(=O)\C=C\c2ccc(O)c(O)c2)cc1OC
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(OCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
COc1c(/C=C/c2cc(C(=O)Nc3ccc(CN4CCC(N(C)C)C4)c(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12
COc1c(/C=C/c2cc(C(=O)Nc3cccc(C(C)(C)C#N)c3)ccc2C)cnc2[nH]ccc12
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC