461 SMILES Strings for LIM domain kinase 1

Compound Name
SMILES String
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,)|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
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
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccccc3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(F)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Cl)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Br)c3)c12 |t:9|
COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:13|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C#N)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C(F)(F)F)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc4ccccc4c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc4OCOc4c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccccc4)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccncc3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3cccc3)c12 |t:9|
CCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:13|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OC(F)(F)F)c3)c12 |t:9|
CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:17|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3ccnc3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3cncn3)c12 |t:9|
COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:19|
COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|
COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|
COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccnc3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccs3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)N[C@@H]3CCCc4ccccc34)c12 |r,t:9|
CC(=O)NCCCOc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:26|
CN(C)c1ccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)cc1 |c:19|
CC1C=C(CCN1C(=O)Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |c:2|
CC1C=C(CCN1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |c:2|
CC1C=C(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:2|
CC1CC(=CC(C)N1C(=O)Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |c:3|
CC1CC(=CC(C)N1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |c:3|
CC1CC(=CC(C)N1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:3|
CC1CC(=CC(C)N1C(=O)Nc1cccc(Oc2ccccc2)c1)c1ncnc2[nH]cc(C)c12 |c:3|
CC1CC(=CC(C)N1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |c:3|
Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:12|
Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:12|
Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:12|
O=C(Nc1cccc(Cc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|
CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:17|
COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|
COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|
COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|
O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|
O=C(Nc1cccc(c1)-n1cccc1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:19|
COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C5CC5)c34)c2)c1 |c:19|
O=C(NC1CCCCC1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:13|
Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Br)c3)c2c1C |$;;;;;;;;;;;;;;;;N;;;;;;;;;;$,t:8|
Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccccc3)c2c1C |t:8|
COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:13|
Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1C |t:8|
COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:20|
CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:17|
Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|
Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|
Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|
Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|
Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|
Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|
Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCCc4c23)c1 |c:12|
Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCCc4c23)c1 |c:12|
Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCCc4c23)c1 |c:12|
O=C(Nc1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:13|
O=C(Nc1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCCc3c12 |c:13|
COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:13|
CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|
O=C(Nc1cccc(c1)-c1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|
O=C(Nc1cccc(c1)-c1ccncc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|
O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:21|
O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]c3CCCCc3c12 |c:21|
O=C(Nc1cccc(c1)C#N)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:15|
FC(F)(F)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|
CCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:13|
O=C(Nc1cccc(c1)N1CCOCC1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|
CN(C)C(=O)Nc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|
CN(C)Cc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|
CNC(=O)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|
CN(C)C(=O)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:16|
COCOCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:16|
COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|
COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|
Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCSCc4c23)c1 |c:12|
Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCSCc4c23)c1 |c:12|
Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCSCc4c23)c1 |c:12|
Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCOCc4c23)c1 |c:12|
Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCOCc4c23)c1 |c:12|
Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCOCc4c23)c1 |c:12|
CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(F)c4)c3c2C1 |t:11|
CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(Cl)c4)c3c2C1 |t:11|
CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(Br)c4)c3c2C1 |t:11|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNS(C)(=O)=O)c3)c12 |t:9|
CC(C)(C)OC(=O)NCCCOc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:30|
CC(C)(C)OC(=O)NCCCOc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:30|
CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]c6CCCc6c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|
CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]cc(C6CC6)c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNC(=O)OC(C)(C)C)c3)c12 |t:9|
CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]cc(C)c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C(=O)N3CCN(CC3)S(C)(=O)=O)c12 |t:9|
CN(C)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:20|
CN1CCN(CCOc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:19|
CN1CCN(CCCOc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:20|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OCCCNC(=O)OC(C)(C)C)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OCC4CCC(F)(F)CC4)c3)c12 |t:9|
CN1CCC(COc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:18|
CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)cc2)ccn1 |c:18|
CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)ccn1 |c:19|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(F)c4)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccc(F)cc4)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(Cl)c4)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccc(Br)cc4Cl)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccnc4)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(OCc5ccccc5)c4)c3)c12 |t:9|
Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(O)c4)c3)c12 |t:9|
CN(C)C(=O)Oc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:23|
CC(=O)Nc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|
CNC(=O)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1
Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
[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|
[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|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl
Clc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(CCC#N)Cc2ccccc2)c1
Clc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(CC#C)Cc2ccccc2)c1
O=C(N(CCc1ccccc1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
O=C(N(CC#C)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
O=C(N(CCC#C)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)|
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4
O=C(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)NCc1ccccc1
O=C(N(Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
O=C(N(CCc1cn(Cc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Clc1ccccc1Cn1cc(CN(Cc2ccccc2)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)nn1
O=C(N(Cc1cn(Cc2ccncc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Clc1ccc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cc1Cl
O=C(N(Cc1cn(Cc2cn3cccnc3n2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Cc1nc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cs1
O=C(N(Cc1cn(CC2CNC(=O)O2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12
Cc1c2[nH]c3ccc(OC(=O)c4ccccc4)cc3c2c(C)c2c1cc[nH]c2=O
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12
CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl
FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)|
CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Cc1cc(on1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1
C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 |r|
Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O
Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|
CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl
O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(C)c1
CC(C)n1cc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cn1
CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
CCCNc1ncc(s1)-c1ccncc1
CCCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C
CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C(F)(F)F
CCCNc1ncc(s1)-c1ccncc1-c1ccc(OC)cc1C(F)(F)F
CC(C)CNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Clc1ccccc1-c1cnccc1-c1cnc(Nc2ccccc2)s1
Cc1ccc(c(Cl)c1)-c1cnccc1-c1cnc(Nc2ccc(O)cc2)s1
CC(C)C(=O)c1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl
COc1ccc(-c2cnccc2-c2cnc(s2)C(=O)C(C)C)c(c1)C(F)(F)F
COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1ccc(cc1)N(CCN(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(c(F)c2)-c2ncnc3[nH]cc(C)c23)c1
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]c4CCCCc4c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
NC(=O)c1sc2ncccc2c1N
COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn(C2CCC(CC2)N2CCN(C)CC2)c2ncnc(N)c12 |(-2.79,-4.99,;-3.56,-3.65,;-2.79,-2.32,;-1.25,-2.32,;-.48,-.99,;-1.25,.35,;-2.79,.34,;-3.55,-.99,;-5.09,-.99,;-5.87,-2.32,;-5.1,-3.65,;-7.41,-2.32,;-8.18,-3.65,;-9.72,-3.65,;-10.49,-4.98,;-12.02,-4.98,;-12.79,-3.64,;-12.03,-2.31,;-10.49,-2.31,;1.06,-.99,;2.01,.17,;3.45,-.4,;4.79,.37,;4.79,1.91,;6.13,2.68,;7.46,1.91,;7.46,.37,;6.12,-.4,;8.79,2.68,;8.79,4.22,;10.13,4.99,;11.46,4.22,;12.79,4.99,;11.46,2.68,;10.13,1.91,;3.39,-1.93,;4.47,-3.01,;4.08,-4.5,;2.59,-4.9,;1.5,-3.81,;.01,-4.2,;1.9,-2.32,)|
COCCN(C(=O)Nc1ccc(c(F)c1)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Fc1ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c(F)c1-n1cc(nn1)-c1cnc2[nH]nc(OC3CCN(C3)C(=O)C=C)c2c1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1
O=C(Nc1cccc(Cl)c1)N1CC=C(c2ncnc3[nH]ccc23)CC1
CN(C)C(=O)Oc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]ccc34)CC2)c1
Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(N(C)C)c4)CC3)c12
CC(=O)Nc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(C)c34)CC2)c1
Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4ccsc4)CC3)c12
O=C(Nc1ccccc1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1
O=C(Nc1cccc(-c2ccccc2)c1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1
O=C(Nc1cccc(Cl)c1)N1CC=C(c2ncnc3[nH]cc(Cl)c23)CC1
O=C(Nc1cccc(Br)c1)N1CC=C(c2ncnc3[nH]cc(Cl)c23)CC1
CN(C)C(=O)Oc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(Cl)c34)CC2)c1
CNC(=O)Cc1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Nc3ccccc3)n2)s1
c1ccc2c(c1)c3nc(n2)NCCCCCNC(=O)c4cc(n[nH]4)N3
CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1
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
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r|
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
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
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|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Nc1ncnc2sc3CCCCc3c12
Nc1ncnc2sc3CCCc3c12
Nc1ncnc2sc3CCCCCc3c12
Cc1nc(N)c2c3CCCCc3sc2n1
CSc1nc(N)c2c3CCCCc3sc2n1
Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1
Nc1nc(=S)[nH]c2sc3CCCCCc3c12
CSc1nc(N)c2c3CCCc3sc2n1
Nc1nc(=S)[nH]c2sc3CCCCc3c12
Nc1nc(SCC(O)=O)nc2sc3CCCCc3c12
Nc1nc(nc2sc3CCCCc3c12)-c1cccs1
CSc1nc(N)c2c3CCCCCc3sc2n1
CNc1ncnc2sc3CCCCc3c12
NCCNc1ncnc2sc3CCCCc3c12
C[C@@H](Nc1ncnc2sc3CCCCc3c12)c1ccccc1 |r|
COc1ccc(Nc2ncnc3sc4CCCCc4c23)cc1
CN(C)c1ncnc2sc3CCCCc3c12
OCCNc1ncnc2sc3CCCCc3c12
C(Cc1ccccc1)Nc1ncnc2sc3CCCCc3c12
C1CCN(CC1)c1ncnc2sc3CCCCc3c12
Nc1ncnc2sc3C4CC(C4)Cc3c12 |(-.84,-.64,;-.79,.89,;.56,1.62,;.6,3.17,;-.71,3.97,;-2.05,3.24,;-3.5,3.76,;-4.44,2.55,;-5.97,2.44,;-6.65,1.06,;-5.79,-.22,;-4.89,1.37,;-4.25,-.12,;-3.58,1.27,;-2.1,1.7,)|
CC1CCc2c(C1)sc1ncnc(N)c21
CC1(C)CCc2sc3ncnc(N)c3c12
CC1CCCc2sc3ncnc(N)c3c12
COc1ccc(cc1OC)-c1sc2ncnc(N)c2c1C
Nc1ncnc2sc3-c4ccccc4Cc3c12
CCOC(=O)C1CCc2c(C1)sc1ncnc(N)c21
NC(=O)C1CCc2c(C1)sc1ncnc(N)c21
Nc1ncnc2sc3CC(CCc3c12)C(=O)N1CCOCC1
Nc1ncnc2sc3CN(Cc4ccccc4)CCc3c12
CC1(C)CCc2c(C1)sc1ncnc(N)c21
Nc1ncnc2sc3COCCc3c12
CC1(C)Cc2c(CO1)sc1ncnc(N)c21
Nc1ncnc2sc-3c(CCc4ccccc-34)c12
Nc1ncnc2sc3CC(CCc3c12)c1ccccc1
Cc1c(sc2ncnc(N)c12)-c1ccccc1
Nc1ncnc2sc3CC(CCc3c12)C(O)=O
Nc1ncnc2sc3CC(CCc3c12)C(=O)NCc1ccccc1
NC(=O)c1sc2ccccc2c1N
Nc1ncnc2c3cccnc3sc12
Nc1ncnc2c3ccccc3sc12
Cn1c2ccccc2c2ncnc(N)c12
Nc1ncnc2c3ccc(cc3sc12)-c1ccccc1
Cn1c2cc(ccc2c2ncnc(N)c12)-c1ccccc1
Cc1sc2ncnc(N)c2c1C
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
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
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)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
CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccn1)-c1cnc(NC(C)C)s1
CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccc1F)-c1cnc(NC(C)C)s1
CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)C)s1
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC)cc1Cl
CCCCCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NCCC)s1
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC2CCCC2)cc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC2CCCC2)cc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC(CC)CC)cc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC)ccc1Cl
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1
CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)C(C)C)s1
CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1
CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
COC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1C
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4
CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)c(F)c3)c2c1C
CN(C)CCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
COc1ccc(NC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
COc1ccc(NC(=O)N(CCN2CCCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
COc1ccc(NC(=O)N(C)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)c(F)c3)c2c1C
CN(C)CCN(C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12)c1ccc(Cl)cc1
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)cc3)c12
COc1ccc(cc1)N(CCN)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1cccc(c1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1ccccc1N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(C)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4C)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(F)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4F)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCN4CCCC4)c4ccccc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4nccs4)cc3)c12
COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
COc1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
COc1ccccc1NC(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2OCCN(C)C)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2C(F)(F)F)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]c(C)c(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]c(C)cc23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]ccc23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cnc23)c1
CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]ccc23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc(N)n2)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccncc2)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(NC(C)=O)n2)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3NC(=O)Cc23)c1
CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccncn2)c1
CC(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F
CCCNc1ncc(s1)-c1ccncc1-c1cccc(Cl)c1
CCCNc1ncc(s1)-c1ccncc1-c1ccc(Cl)cc1
CCCNc1ncc(s1)-c1ccncc1-c1ccccc1
CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C(C)C
Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
CCCN(C)c1ncc(s1)-c1ccncc1-c1ccccc1Cl
CCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
C[C@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r|
C[C@@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r|
Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1
CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl
Nc1nc(NCC=C)sc1C(=O)c1ccc2OCOc2c1
CCCNc1ncc(s1)-c1cccnc1-c1ccccc1Cl
CCCNc1ncc(s1)-c1cnccc1-c1ccccc1Cl
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)c(F)c3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c12
COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F