187 SMILES Strings for MAP/microtubule affinity-regulating kinase 3
Compound Name
SMILES String
Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc1c[nH]cn1
Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CCC1
Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1
C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1
C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
CC(=O)N1CCC(CC1)N1C(=O)C(C)(C)c2cnc(Nc3ccc(F)cc3)nc12
CC(=O)N1CCC(CC1)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12
CC(=O)N1CCC(CC1)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)(N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
CC(C)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12
CC(C)[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12 |r|
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC1(C)C(=O)N(C2CCCC2)c2nc(Nc3ccccc3)ncc12
CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccc(c3)N3CCNCC3)ncc12
CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3ccccc3)ncc12
CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccnc3)ncc12
CC1(C)C(=O)N([C@@H](C(F)F)c2ccccc2)c2nc(Nc3ccccc3)ncc12 |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3N)c2nc(Nc3ccccc3)ncc12 |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3NS(C)(=O)=O)c2nc(Nc3ccccc3)ncc12 |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CC1(C)C(=O)N([C@H]2CCc3ccccc23)c2nc(Nc3cccnc3)ncc12 |r|
CC1(C)C(=O)N(c2nc(Nc3ccccc3)ncc12)c1ccccc1
CC1(C)C(=O)Nc2nc(Nc3ccccc3)ncc12
CC1(C)CN(C2CCCCC2)c2nc(Nc3ccccc3)ncc12
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1cnn(C)c1
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC[C@@H](C)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12 |r|
CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(cc3)-c3nnc(C)[nH]3)nc12 |r|
CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(cc3)S(C)(=O)=O)nc12 |r|
CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12 |r|
CC[C@H](C)N1C(=O)C2(CC2)c2cnc(Nc3cccnc3)nc12 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
CCc1sc(cc1-c1cnc2cc(C)cnn12)C(=O)NC1[C@H](N)CCCC1(F)F |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1C(=O)C(C)(C)c2cnc(Nc3cccc(c3)N3CCNCC3)nc12
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
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|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(11.87,-16.49,;13.18,-15.69,;13.14,-14.15,;11.78,-13.41,;11.74,-11.87,;13.05,-11.07,;14.4,-11.8,;14.45,-13.34,;15.8,-14.07,;17.11,-13.27,;17.07,-11.73,;18.38,-10.92,;19.74,-11.65,;21.05,-10.84,;21.01,-9.3,;22.41,-11.58,;22.45,-13.12,;23.8,-13.85,;21.14,-13.92,;21.18,-15.46,;19.87,-16.27,;19.91,-17.81,;21.26,-18.54,;22.57,-17.74,;22.53,-16.2,;21.3,-20.08,;22.66,-20.82,;22.7,-22.36,;23.97,-20.01,;23.93,-18.47,;25.24,-17.67,;26.6,-18.39,;26.64,-19.93,;25.33,-20.74,;19.78,-13.19,;18.47,-13.99,;10.39,-11.14,;9.07,-11.94,;7.71,-11.21,;7.67,-9.68,;6.32,-8.94,;8.98,-8.87,;10.34,-9.6,)|
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
C[C@@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1cccc(O)c1 |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccc(F)cc1 |r|
C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1cccc(O)c1 |r|
C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1 |r|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)[C@@H]2COC[C@@H]2O)cnn1[C@@H]1CC1(F)F |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCc2cnc[nH]2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCCNC(=O)C2CCC2)n1
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCc2cnc[nH]2)n1
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCc2ccc(cc2)S(N)(=O)=O)n1
Cc1sc(cc1-c1cnc2cccnn12)C(=O)NC1[C@H](N)CCCC1(F)F |r|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cc1sc(cc1-c1cnn2cc(cnc12)-c1cnn(C)c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cc1sc(cc1-c1cnn2cc(cnc12)-c1cnn(C)c1)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cc1sc(cc1-c1cnn2cc(cnc12)-c1cnn(C)c1)C(=O)N[C@H]1CCCC(F)(F)[C@H]1N |r|
Cc1sc(cc1-c1cnn2cccnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NC(CO)C1CC1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCCC(N)C(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCCC(N)C(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCCC(N)CF
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1O |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@H]1N |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@H]1O |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCC[C@@H]1N |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCC[C@@H]1O |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCC[C@H]1N |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCC[C@H]1O |r|
Cn1cc(cn1)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12
Cn1cc(cn1)N1C(=O)c2nc(Nc3ccccc3)ncc2C1(C)C
Cn1ccc2ccc(cc12)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cnc(c1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc2CCOc2c1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc2ccoc2c1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1cccnc1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1cn[nH]c1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(NC(=O)N4CCCC4)c3)n2)cc1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C2CC2)cc1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2C2CC2)cc1
N[C@H]1CCCC(F)(F)C1NC(=O)c1cc(cs1)-c1cnc2cccnn12 |r|
N[C@H]1CCCC(F)(F)C1NC(=O)c1nc(c(Cl)s1)-c1cnc2ccccn12 |r|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C1CC1)C1CCC1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
[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|
[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|
[NH3+][C@@H]1CCCC(F)(F)C1NC(=O)c1cc(cs1)-c1cnc2cc(cnn12)-c1ccc(F)cc1 |r|