586 SMILES Strings for Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B

Compound Name
SMILES String
CCCOc1nc(N)nc2nc[nH]c12
CCCCOc1nc(N)nc2nc[nH]c12
CCCCCOc1nc(N)nc2nc[nH]c12
CCCCCCCOc1nc(N)nc2nc[nH]c12
CC(C)Oc1nc(N)nc2nc[nH]c12
CCC(C)Oc1nc(N)nc2nc[nH]c12
CC(C)COc1nc(N)nc2nc[nH]c12
CCC(C)COc1nc(N)nc2nc[nH]c12
CC(C)CCOc1nc(N)nc2nc[nH]c12
COc1nc(N)nc2nc[nH]c12
CCOc1nc(N)nc2nc[nH]c12
Nc1nc(OCC#C)c2[nH]cnc2n1
Nc1nc(OCCCCC=C)c2[nH]cnc2n1
CC\C=C\CCOc1nc(N)nc2nc[nH]c12
Nc1nc(OCC=C)c2[nH]cnc2n1
CC(=C)COc1nc(N)nc2nc[nH]c12
CCC(=C)COc1nc(N)nc2nc[nH]c12
CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
Nc1nc(OCC=C2CCCCC2)c2[nH]cnc2n1 |(-4.42,.15,;-3.08,.92,;-3.08,2.46,;-1.75,3.23,;-1.73,4.77,;-3.07,5.54,;-4.4,4.77,;-5.74,5.54,;-5.71,7.08,;-7.03,7.87,;-8.38,7.12,;-8.4,5.58,;-7.08,4.79,;-.47,2.46,;.99,2.94,;1.9,1.69,;.99,.45,;-.47,.92,;-1.75,.15,)|
CC(=O)COc1nc(N)nc2nc[nH]c12
CC(C)C(=O)COc1nc(N)nc2nc[nH]c12
Nc1nc(OCC2CCCC2)c2[nH]cnc2n1
Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6|
Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9|
CC(=C)[C@H]1CCC(COc2nc(N)nc3nc[nH]c23)=CC1 |r,c:20|
Nc1nc(OCC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1 |TLB:13:8:15:14.12.11,13:12:15:7.8.9,THB:11:10:7:14.12.13,11:12:7:15.10.9|
Nc1nc(OCCC2CCCCC2)c2[nH]cnc2n1
Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Nc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Nc1nc(OCc2cccc(Cl)c2)c2[nH]cnc2n1
COc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1
Nc1nc(OCc2ccc3ccccc3c2)c2[nH]cnc2n1
Nc1nc(OCc2cccc3ccccc23)c2[nH]cnc2n1
Nc1nc(OCC(O)CO)c2[nH]cnc2n1
COCC(COc1nc(N)nc2nc[nH]c12)OC
CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC
CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC
Nc1nc(OCC2CCCO2)c2[nH]cnc2n1
COC1OC(COc2nc(N)nc3nc[nH]c23)C2OC(C)(C)OC12
CC1(C)OC[C@@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
CC1(C)OC[C@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
CC(C)C1(COc2nc(N)nc3nc[nH]c23)OCCO1
Nc1nc(OC[C@@H]2COC3(CCCCC3)O2)c2[nH]cnc2n1 |r|
Nc1nc(OCC2CCCCO2)c2[nH]cnc2n1
CC1(C)OC2OC(COc3nc(N)nc4nc[nH]c34)C3OC(C)(C)OC3C2O1
Nc1nc(OCC2COc3ccccc3O2)c2[nH]cnc2n1
Nc1nc(OCC2CCCNC2)c2[nH]cnc2n1
Nc1nc(OCC2CCNCC2)c2[nH]cnc2n1
Nc1nc(OC[C@@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
Nc1nc(OC[C@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
Nc1nc(OCc2ccccn2)c2[nH]cnc2n1
Nc1nc(OCc2cccnc2)c2[nH]cnc2n1
Clc1nc(OCC2CCCCC2)c2[nH]cnc2n1
CN(C)c1nc(OCC2CCCCC2)c2[nH]cnc2n1
Fc1nc(OCC2CCCCC2)c2[nH]cnc2n1
CNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
CCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
CC(C)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
OCCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
CC[C@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
CC[C@@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
CC(C)[C@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
CC(C)[C@@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
C(Oc1nc(Nc2ccccc2)nc2nc[nH]c12)C1CCCCC1
Clc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
Fc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
Brc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
Clc1cc(Cl)cc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
CCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
OCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
COc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
CSc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
Fc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
Fc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1Cl
Oc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
COc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CSc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CNS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CN(C)S(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CS(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
COc1cc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)ccc1S(N)(=O)=O
NS(=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
NC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CNC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CN(C)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
CC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
O=C(O)c4ccc(Nc3nc(OCC1CCCCC1)c2[nH]cnc2n3)cc4
COC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
NC(=O)Cc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
N#CCc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
C(Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1)c1cccs1
NS(=O)(=O)c1ccc(CNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)s1
COc1ccc(Oc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
NS(=O)(=O)c1ccc(NNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
C(Oc1ncnc2nc[nH]c12)C1CCCCC1
Cn1cnc2c(OCC3CCCCC3)nc(N)nc12
C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
Nc1cc(OCC2CCCCC2)nc(N)n1
CCCCCOc1nc(N)nc(N)c1N=O
CCCCCCCOc1nc(N)nc(N)c1N=O
CC(C)CCOc1nc(N)nc(N)c1N=O
Nc1nc(N)c(N=O)c(OC[C@@H]2NCCC2=O)n1 |r|
Nc1nc(N)c(N=O)c(OCC2CCC=CC2)n1 |c:14|
Nc1nc(N)c(N=O)c(OCc2ccccc2)n1
Nc1cc(OCC2CCC=CC2)nc(N)n1 |c:9|
CC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
Nc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
Nc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
COc1ccc(Nc2nc(N)nc(OCC3CCCCC3)c2N=O)cc1
Nc1nc(N)c(C=O)c(OCC2CCCCC2)n1
Nc1nc(N)c(CN=O)c(OCC2CCCCC2)n1
CO\N=C\c1c(N)nc(N)nc1OCC1CCCCC1
Nc1nc(N)c(\C=N\OCc2ccccc2)c(OCC2CCCCC2)n1
NC(=O)NN=Cc1c(N)nc(N)nc1OCC1CCCCC1 |w:5.5|
Nc1nc(N)c(C(O)c2ccccc2)c(OCC2CCCCC2)n1
Nc1nc(N)c(C(=O)c2ccccc2)c(OCC2CCCCC2)n1
Nc1nc(N)c(N)c(OCC2CCCCC2)n1
NC(=O)c1ccc(Nc2nc(N)cc(OCC3CCCCC3)n2)cc1
Nc1cc(OCC2CCCCC2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Nc1nc(Nc2cccc(Br)c2)nc(OCC2CCCCC2)c1N=O
COc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
CSc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC2CCCCC2)c1N=O
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ccccc2N1
COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2cc1OC
COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C#N)-c2cc1OC
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Clc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1
COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2cc1OC
COC(=O)Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Fc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
COc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1OC
Oc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1O
Cc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Brc1ccc2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
Brc1ccc2NC(=O)Cc3c([nH]c4ccccc34)-c2c1
Clc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
OCC#Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(Br)cc-34)c2c1
Ic1ccc2NC(=O)Cc3c([nH]c4ccccc34)-c2c1
OCCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(\C=C\C#N)cc-34)c2c1
COC(=O)CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
Cc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
CCc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
ONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
Brc1ccc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2c1
Brc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
COc1cc2NC(=O)Cc3c([nH]c4ccccc34)-c2cc1OC
COC(=O)\C=C\c1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
CSC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
CC(=O)C=Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 |w:4.4|
CCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Brc1ccc2[nH]c-3c(CC(=S)Nc4ccccc-34)c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(Br)cc-34)c2c1
OC1(CCCCC1)C#Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
COc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(I)cc-34)c2c1
CC(C)(C)OC(=O)n1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Brc1ccc2n(CC=C)c-3c(CC(=O)Nc4ccccc-34)c2c1
Oc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
Clc1cc(Cl)c2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
COc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
CCN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
CC(C)(C)OC(=O)C1c2c([nH]c3ccc(Br)cc23)-c2ccccc2N(C(=O)OC(C)(C)C)C1=O
COc1cccc2-c3[nH]c4ccccc4c3CC(=O)Nc12
Brc1ccc2[nH]c-3c(CCCc4ccccc-34)c2c1
S=C1Cc2c(cc(nc2-c2ccccc2N1)-c1ccccc1)-c1cccs1
CC(C)(C)OC(=O)C1c2c(-c3ccccc3N(C(=O)OC(C)(C)C)C1=O)n(C(=O)OC(C)(C)C)c1ccc(Br)cc21
CC(C)(C)OC(=O)N1c2ccccc2-c2c(CC1=O)c1cc(Br)ccc1n2C(=O)OC(C)(C)C
Clc1ccc(cc1)-c1cc(nc-2c1CC(=S)Nc1ccccc-21)-c1ccc2ccccc2c1
C1Cc2c([nH]c3ccccc23)-c2ccccc2C1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccc(I)cc-34)c2c1
O=C1Cc2c([nH]c3ccccc23)-c2cc(ccc2N1)C#N
COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)C(F)(F)F
Nc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Oc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1
CC(=O)Nc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
COc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
CC(=O)Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
Clc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)C#N
COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)[N+]([O-])=O
COc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
Cc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
O=C1Cc2c([nH]c3ncccc23)-c2ccccc2N1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=S)Nc4ccccc-34)c2c1
CSC1=Nc2ccccc2-c2c(C1)c1cc(ccc1n2C)[N+]([O-])=O |t:2|
NCCCCOc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
Cc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
Clc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2sccc2N1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
c1c([nH]c2nccnc12)-c1ccccc1
COc1ccccc1-c1cc2nccnc2[nH]1
Oc1ccccc1-c1cc2nccnc2[nH]1
COc1cccc(c1)-c1cc2nccnc2[nH]1
Oc1cccc(c1)-c1cc2nccnc2[nH]1
COc1ccc(cc1)-c1cc2nccnc2[nH]1
Oc1ccc(cc1)-c1cc2nccnc2[nH]1
COc1cc(OC)cc(c1)-c1cc2nccnc2[nH]1
COc1cc(cc(OC)c1OC)-c1cc2nccnc2[nH]1
Fc1ccc(cc1)-c1cc2nccnc2[nH]1
Clc1ccc(cc1)-c1cc2nccnc2[nH]1
Clc1cc(Cl)cc(c1)-c1cc2nccnc2[nH]1
Brc1ccc(cc1)-c1cc2nccnc2[nH]1
FC(F)(F)c1ccc(cc1)-c1cc2nccnc2[nH]1
N#Cc1ccc(cc1)-c1cc2nccnc2[nH]1
Cc1ccc(cc1)-c1cc2nccnc2[nH]1
CN(C)c1ccc(cc1)-c1cc2nccnc2[nH]1
COc1ccc(cc1)-c1[nH]c2nccnc2c1C
COc1ccc(cc1OC)-c1[nH]c2nccnc2c1C
CCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1
COc1ccc(cc1)-c1[nH]c2nccnc2c1CCCCl
COc1ccc(cc1)-c1[nH]c2nccnc2c1C(C)C
COc1ccc(cc1)-c1[nH]c2nccnc2c1CC=C
CCCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1
CCCCCCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1
COc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CC1
COc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CCCCC1
CN(C)S(=O)(=O)Oc1ccc(cc1)-c1[nH]c2nccnc2c1C
Cc1c([nH]c2nccnc12)-c1ccc(Cl)cc1
CC(C)c1c([nH]c2nccnc12)-c1ccc(Cl)cc1
CCCCc1c([nH]c2nccnc12)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1[nH]c2nccnc2c1Cc1ccccc1
C(c1c([nH]c2nccnc12)-c1ccccc1)c1ccccc1
Clc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CCCCC1
Cc1c([nH]c2nccnc12)-c1ccc(O)cc1
CCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CC1
c1coc(c1)-c1cc2nccnc2[nH]1
c1csc(c1)-c1cc2nccnc2[nH]1
c1cc(cs1)-c1cc2nccnc2[nH]1
c1c([nH]c2nccnc12)-c1ccccn1
c1c([nH]c2nccnc12)-c1cccc2ccccc12
c1c([nH]c2nc3ccccc3nc12)-c1ccccc1
Clc1ccc(cc1)C1(CC1)c1cc2nccnc2[nH]1
Cc1c([nH]c2nccnc12)C1(CC1)c1ccc(Cl)cc1
C1COC(O1)c1ccc(cc1)-c1cc2nccnc2[nH]1
Cc1cnc2cc([nH]c2n1)-c1ccccc1
Cn1c(cc2nccnc12)-c1ccccc1
COc1ccc(cc1)-c1cc2cccnc2[nH]1
c1c([nH]c2ccccc12)-c1ccccc1
c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(=O)N2
O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2ccccc12 |w:6.5,4.3|
CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
Brc1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2cc(Br)ccc12
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2cc(Br)ccc2c1N=O
Brc1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2ccccc12
Brc1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2ccccc12
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12 |w:6.5,4.3|
CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
CN1C(=O)\C(=C2/Nc3ccccc3C2=O)c2ccc(Br)cc12
CN1C(=O)C(c2ccc(Br)cc12)c1[nH]c2ccccc2c1N=O
Clc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
Clc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)ccc12 |w:6.5,4.3|
Ic1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
Ic1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(I)ccc12 |w:6.5,4.3|
C=Cc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
C=Cc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12 |w:6.5,4.3|
Fc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
Fc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(F)ccc12 |w:6.5,4.3|
CN1C(=O)\C(=C2/Nc3ccccc3C2=O)c2ccccc12
CN1C(=O)C(c2ccccc12)c1[nH]c2ccccc2c1N=O
Cc1cc2\C(C(=O)Nc2cc1Br)=C1\Nc2ccccc2C1=O
Cc1cc2C(C(=O)Nc2cc1Br)c1[nH]c2ccccc2c1N=O
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12 |w:6.5,4.3|
Clc1cc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2cc1Cl
Clc1cc2NC(=O)C(c2cc1Cl)c1[nH]c2ccccc2c1N=O
CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12 |w:6.5,4.3|
[O-]c1c([nH]c2ccccc12)[C+]1C(=O)Nc2cc(Br)c(cc12)[N+]([O-])=O
[O-][N+](=O)c1cc2[c-](-c3[nH]c4ccccc4c3N=[OH+])c(=O)[nH]c2cc1Br |(.96,8.59,;2.41,8.07,;3.5,9.15,;2.56,6.53,;1.3,5.64,;1.44,4.11,;.4,2.98,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;-2.04,4.22,;-1.57,5.69,;-2.66,6.77,;1.16,1.63,;.51,.23,;2.67,1.94,;2.84,3.47,;4.1,4.36,;3.96,5.89,;5.21,6.78,)|
CC(=O)[O+]=Nc1c([nH]c2ccccc12)-[c-]1c2cc(c(Br)cc2[nH]c1=O)[N+]([O-])=O |w:4.4,(-3.35,9.35,;-2.26,8.26,;-.77,8.66,;-2.66,6.77,;-1.57,5.69,;-2.04,4.22,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;.4,2.98,;1.44,4.11,;1.3,5.64,;2.56,6.53,;3.96,5.89,;5.21,6.78,;4.1,4.36,;2.84,3.47,;2.67,1.94,;1.16,1.63,;.51,.23,;2.41,8.07,;.96,8.59,;3.5,9.15,)|
Clc1cccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c12
CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Cc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
CCOc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Oc1ccc2oc3ncc(Cl)c(-c4ccccc4)c3c2c1
Oc1ccc2oc3ncc(Br)c(-c4ccccc4)c3c2c1
c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Nc1n[nH]c2nnc(-c3ccc(cc3)-c3ccccc3)c(-c3ccc(cc3)-c3ccccc3)c12
Nc1n[nH]c2nnc(-c3ccc(cc3)N(=O)=O)c(-c3ccc(cc3)N(=O)=O)c12
CC(C)(C)c1ccc(cc1)-c1nnc2[nH]nc(N)c2c1-c1ccc(cc1)C(C)(C)C
Nc1n[nH]c2nnc(-c3ccc(cc3)C(F)(F)F)c(-c3ccc(cc3)C(F)(F)F)c12
COc1ccc(cc1)-c1nnc2[nH]nc(N)c2c1-c1ccc(OC)cc1
Nc1n[nH]c2nnc3c4ccccc4c4ccccc4c3c12
Nc1n[nH]c2nnc(-c3ccco3)c(-c3ccco3)c12
Nc1n[nH]c2nnc(-c3ccccn3)c(-c3ccccn3)c12
Cc1c(nnc2c1c(n[nH]2)N)C
Cc1nnc2[nH]nc(N)c2c1-c1ccccc1
Nc1n[nH]c2nncc(-c3ccccc3)c12
Nc1n[nH]c2nnc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)c12
Nc1n[nH]c2nnc(cc12)-c1ccccc1
Nc1n[nH]c2nnc(cc12)-c1ccco1
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
O=c1[nH][nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
CCNC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
O=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)Nc1ccccc1
NNc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12
CC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
CC(=O)n1nc(N)c2c(-c3ccccc3)c(nnc12)-c1ccccc1
CC(=O)Nc1nn(C(C)=O)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Nc1nn(Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Nc1nn(COCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Nc1nn(CCOCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
CCNC(=O)Nc1n[nH]c2nnc(cc12)-c1ccco1
CCNC(=S)Nc1n[nH]c2nnc(cc12)-c1ccco1
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Ic1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Brc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N(=O)=O)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N3CCN(C)CC3)C(=O)c2c(O)cc1O
Nc1nc(Cl)c2ncn(C3CC=CC3)c2n1 |c:11|
CC(C)n1cnc2c(Cl)nc(I)nc12
CN(CC=C)c1nc(I)nc2n(C)cnc12
CC(C)n1cnc2c(nc(I)nc12)N(C)CC=C
CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc12
Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1
Ic1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
CN(CC=C)c1nc(NCCO)nc2n(C)cnc12
CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
CC(C)n1cnc2c(nc(NCCO)nc12)N1CCC=CC1 |c:21|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12
CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc12 |r|
CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 |r|
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r|
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 |r|
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Nc1n[nH]c2nc3ccccc3nc12
Nc1n[nH]c2nc3ccc(cc3nc12)C(F)(F)F
Cc1cc2nc3[nH]nc(N)c3nc2cc1C
Cc1ccc2nc3[nH]nc(N)c3nc2c1
COc1ccc2nc3[nH]nc(N)c3nc2c1
Nc1n[nH]c2nc3ccc(Cl)cc3nc12
Clc1n[nH]c2nc3ccccc3nc12
Clc1n[nH]c2nc3ccc(Cl)cc3nc12
CN(C)CCCn1nc(N)c2nc3ccccc3nc12
CN(C)CCCn1nc(N)c2nc3cc(Cl)ccc3nc12
CN(C)CCCn1nc(N)c2nc3cc(C)c(C)cc3nc12
CN(C)CCn1nc(N)c2nc3ccccc3nc12
CN(C)CCn1nc(N)c2nc3cc(Cl)ccc3nc12
CCN(CC)CCn1nc(N)c2nc3ccccc3nc12
CCN(CC)CCn1nc(N)c2nc3cc(Cl)ccc3nc12
CCN(CC)CCn1nc(N)c2nc3cc(C)c(C)cc3nc12
Nc1nn(C(=O)c2ccncc2)c2nc3ccccc3nc12
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCCC1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCO
CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCO
CCC(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCC1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCO
CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCCO)nc12
CCC(C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCO)nc12
CCC(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(CCC(C)(O)c3ccccc3)nc12
CC(C)n1cnc2c(NCc3ccccc3)nc(CCCO)nc12
CC(C)n1cnc2c(NCc3ccccc3)nc(\C=C/CCCO)nc12
Oc1ccccc1\C=C\C=O
Oc1cccc(\C=C\C=O)c1
O=C\C=C\c1ccccc1OCc1ccccc1
O=C\C=C\c1cccc(OCc2ccccc2)c1
Cc1ccccc1COc1ccccc1\C=C\C=O
Cc1ccccc1COc1cccc(\C=C\C=O)c1
CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12
C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12
CC(C)n1cnc2c(NC3CCCC3)nc(NCCCO)nc12
CC(C)n1cnc2c(N)nc(NCCCO)nc12
CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc12 |TLB:18:9:16:13.12.14,THB:14:15:10:13.12.18,14:13:10:15.17.16,18:13:9.10.17:16|
CC(C)n1cnc2c(NCc3ccccc3)ncnc12
CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(C=O)cc1
COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(cc1)C(C)=O
COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(NS(C)(=O)=O)cc1
CNC(=O)c1ccc(cc1)-c1nc(NCCOC)c2ncn(C(C)C)c2n1
COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(cc1)C(=O)NCCC#N
COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(NC(=O)OC)cc1
COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(s1)C(C)=O
COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(s1)C#N
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)-c2ccc(C=O)cc2)cc1
CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CC(C)n1cnc2ccc3cnc(Nc4cc(OCC5CC5)c(cn4)N4CCNCC4)nc3c12
COc1cc(Nc2ncc3ccc4nc(C)n(C(C)C)c4c3n2)ncc1N1CCOCC1
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)C2(CC2)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)C(NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CCC1)C(F)(F)F)C1CC1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CCC1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H]2C[C@@H](F)CN2C(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)C1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCN(C)C(=O)[C@@H](C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
COC[C@H]1C[C@@H]1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC(C)C)C2)[nH]n1
COCc5cc(C(=O)NC4=NCC([C@H]3CC[C@@H](OC(=O)N[C@@H]2COC1(CCC1)C2)C3)=C4)n(C)n5
CC(C)NC(=O)O[C@H]3CO[C@H](C2=CC(NC(=O)Cc1cc(F)cc(F)c1)=NC2)C3
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)[C@@H]3CCN(S(C)(=O)=O)C3)n[nH]2)C1
CC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)[C@H]3C[C@@H]3COC)n[nH]2)C1
Cn1nccc1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3COC4(CCC4)C3)C2)[nH]n1
CCS(=O)(=O)N1CC[C@@H](C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)C1
CC1(NC(=O)OC2COC(c3cc(NC(=O)Cc4cc(F)cc(F)c4)n[nH]3)C2)CCOC1
CC1(NC(=O)OC2COC(c3cc(NC(=O)Cc4cc(F)cc(F)c4)n[nH]3)C2)CCOC1
Cn1nccc1C(=O)Nc1cc([C@@H]2C[C@H](OC(=O)NC34CC(C3)C4)CO2)[nH]n1
CC[C@H](C)NC(=O)O[C@@H]1CO[C@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1
Cn1nccc1C(=O)Nc1cc([C@@H]2C[C@H](OC(=O)NC(C)(C)C)CO2)[nH]n1
Cn1nccc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3CCC3)CO2)[nH]n1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C34CC(C(=O)NO)(C3)C4)n[nH]2)C1
CC(C)NC(=O)O[C@@H]3CC[C@H](C2=CC(NC(=O)[C@H]1C[C@@H]1[C@H](C)O)=NC2)C3
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC(C)N(S(C)(=O)=O)C3)n[nH]2)C1
C#C[C@H]1C[C@@H]1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)COC3)C2)[nH]n1
O=C(NC12CC(F)(C1)C2)O[C@@H]1CC[C@H](c2cc(NC(=O)[C@@H]3CCN(S(=O)(=O)C4CC4)C3)n[nH]2)C1
C#CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(NC(=O)c4ccnn4C)n[nH]3)C2)CCC1
CCC(C)(C)NC(=O)O[C@@H]1CO[C@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCN(CC3)C3CC3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(CC(F)(F)C4)C3)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1
CN1CCN(CC1)c1ccc(Nc2ncc3ccnc(N4CCC5(CC(F)(F)C5)C4)c3n2)cc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC(C3)(C#N)C3CC3)c2n1
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3ccnc(N4CCC5(CC(F)(F)C5)C4)c3n2)nc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CCC4(C3)CCOCC4)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CC4(CN(C4)C4CC4)C3)c2n1
CN1CCN(CC1)c1ccc(Nc2ncc3ccnc(N4CCC5(CCN(C5)S(C)(=O)=O)C4)c3n2)cc1
CN1CCn2nc(Nc3ncc4ccnc(N5CCC6(CC6(F)F)C5)c4n3)cc2C1
[2H]C([2H])([2H])N1CC2(CN(c3nc(C)cc4cnc(NC5CCN(S(=O)(=O)c6cnn(C)c6)CC5)nc34)CC2(F)F)C1
[2H]C([2H])([2H])N1CC2(CN(c3nc(C)cc4cnc(NC5CCN(S(C)(=O)=O)CC5)nc34)CC2(F)F)C1
[2H]C([2H])([2H])N1CC2(CN(c3nc(C)cc4cnc(NC5CCN(S(=O)(=O)C6CC6)CC5)nc34)CC2(F)F)C1
CS(=O)(=O)N1CC(C1)Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1
CN1C[C@H]2[C@@H](C1)[C@@H]2Nc1ncc2ccnc(N3CCC4(CCN(C4)S(C)(=O)=O)C3)c2n1 |r|
CS(=O)(=O)N1CCC(Nc2ncc3ccnc(N4C[C@H]5c6ccccc6S(=O)(=O)[C@H]5C4)c3n2)CC1
CN1C[C@H]2[C@@H](C1)[C@@H]2Nc1ncc2ccnc(N3CCC4(CC4(F)F)C3)c2n1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(N3CC4(CCCC4)c4c3cccc4F)c2n1
CN1CCC(CC1)n1cc(Nc2ncc3ccnc(N4CCC5(CC5(F)F)C4)c3n2)cn1
CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc3ccnc(N4CCC5(CC5(F)F)C4)c3n2)nc1
CN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(C5)CC6(F)F)c4n3)cc2C1
CN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(CCN(C6)S(C)(=O)=O)C5)c4n3)cc2C1
CN1Cc2ccc(Nc3ncc4ccnc(N5CC6(C5)CS(=O)(=O)C6)c4n3)cc2C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
CN1CC2(CC(C2)n2cc(Nc3ncc4cc(C)nc(N5CC6(C5)CN(C6)S(C)(=O)=O)c4n3)cn2)C1
CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(Nc3ccc4CN(Cc4c3)S(C)(=O)=O)nc12
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC(C4)(C#N)C4CC4)c3n2)cc1
CN1CC2(C1)CN(C2)c1nc(C)cc2cnc(Nc3ccc4CN(Cc4c3)C3CN(C3)S(C)(=O)=O)nc12
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CC5(C4)CS(=O)(=O)C5)c3n2)cc1
Cc1cc2cnc(Nc3cnn(C4CN(CC#N)C4)c3)nc2c(N2CC3(CN(C)C3)C2)n1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CNC2)C1
CN1CC2(CC(C2)n2cc(Nc3ncc4cc(C)nc(N5CCC6(CC6(F)F)C5)c4n3)cn2)C1
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC5(CC5(F)F)C4)c3n2)cc1
CN1CC2(C1)CN(C2)c1ccc(Nc2ncc3cc(C)nc(N4CCC5(C4)CCOCC5)c3n2)cc1
CN(C)C1(Cn2cc(Nc3ncc4cc(C)nc(N5CCC6(CC6(F)F)C5)c4n3)cn2)CC1
Cc1cc2cnc(Nc3cc4CN(Cc4cc3F)S(C)(=O)=O)nc2c(n1)N1CC2(CNC2)C1
CN(C)C1(Cn2cc(Nc3ncc4cc(C)nc(N5CCC(C5)(C#N)C5CC5)c4n3)cn2)CC1
Cc1cc2cnc(Nc3cc4CN(Cc4cc3F)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCNC2
CN(C)C[C@H]1CC[C@@H](CC1)Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1 |r,wU:7.10,wD:4.3,(-8.46,-4.26,;-7.13,-3.49,;-7.13,-1.95,;-5.79,-4.26,;-4.46,-3.49,;-3.13,-4.26,;-1.79,-3.49,;-1.79,-1.95,;-3.13,-1.18,;-4.46,-1.95,;-.46,-1.18,;.88,-1.95,;.88,-3.49,;2.21,-4.26,;3.54,-3.49,;4.88,-4.26,;6.21,-3.49,;7.54,-4.26,;6.21,-1.95,;4.88,-1.18,;4.88,.36,;3.63,1.26,;4.11,2.73,;5.65,2.73,;5.81,4.26,;7.05,3.36,;8.3,2.45,;8.46,3.98,;6.12,1.26,;3.54,-1.95,;2.21,-1.18,)|
Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(N2CCC3(C2)CC3(F)F)n1
Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(N2CC3(C2)CN(C2CC2)C3)n1
CN1CC2CC1CC2Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1
CN1Cc2ccc(Nc3ncc4cc(C)nc(N5CC6(CN(C6)C6CC6)C5)c4n3)cc2C1
CN(C)C[C@H]1CC[C@H](CC1)Nc1ncc2cc(C)nc(N3CCC4(CC4(F)F)C3)c2n1 |r,wU:7.10,4.3,(-8.46,-4.26,;-7.13,-3.49,;-7.13,-1.95,;-5.79,-4.26,;-4.46,-3.49,;-4.46,-1.95,;-3.13,-1.18,;-1.79,-1.95,;-1.79,-3.49,;-3.13,-4.26,;-.46,-1.18,;.88,-1.95,;.88,-3.49,;2.21,-4.26,;3.54,-3.49,;4.88,-4.26,;6.21,-3.49,;7.54,-4.26,;6.21,-1.95,;4.88,-1.18,;4.88,.36,;3.63,1.26,;4.11,2.73,;5.65,2.73,;5.81,4.26,;7.05,3.36,;8.3,2.45,;8.46,3.98,;6.12,1.26,;3.54,-1.95,;2.21,-1.18,)|
FC(F)c1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(Nc3ccc4CN(Cc4c3)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CN(C2)C2CC2)C1
CN1CCC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc23)C1
FC(F)c1cc2cnc(Nc3ccc4CN(Cc4c3)C3CC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCCC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CCC2(F)F)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC(F)(F)C2)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCC2(CC2)C1
FC(F)c1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)nc2c(n1)N1CC2(C1)CCNC2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(O)(C1)C1CC1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(C1)OC1CC1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CCC(C1)OC(F)F
CN1CC2(C1)CCN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3(C)CC3)nc12
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(CNC4)C(F)(F)C3)c2n1)C1CC1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CCNCC2(F)F
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3(C)CC3)nc2c(n1)C1CC(C)(O)C1 |(8,-3.3,;6.67,-2.53,;5.33,-3.3,;4,-2.53,;2.67,-3.3,;1.33,-2.53,;1.33,-.99,;,-.22,;-1.33,-.99,;-1.33,-2.53,;-2.67,-3.3,;-4,-2.53,;-4,-.99,;-2.67,-.22,;-5.33,-3.3,;-6.1,-1.96,;-4.56,-4.63,;-6.67,-4.07,;-5.33,-4.84,;-8,-4.84,;-8,-3.3,;2.67,-.22,;4,-.99,;5.33,-.22,;6.67,-.99,;5.33,1.32,;4.25,2.41,;5.33,3.5,;6.1,4.84,;4.56,4.84,;6.42,2.41,)|
COCCN1CC2(C1)CN(C2)c1nc(cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CCC3)nc12)C1CC1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N3CC4(C3)CNCCC4(F)F)c2n1)C(F)F
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(CC(O)C2)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CCC3(C)CC3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(CCF)(C1)C#N
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(C)(CO)C1 |(7.34,-3.52,;6,-2.75,;4.67,-3.52,;3.33,-2.75,;2,-3.52,;.67,-2.75,;.67,-1.21,;-.67,-.44,;-2,-1.21,;-2,-2.75,;-3.33,-3.52,;-4.67,-2.75,;-4.67,-1.21,;-3.33,-.44,;-6,-3.52,;-7.34,-4.29,;-6.77,-2.18,;-5.23,-4.85,;2,-.44,;3.33,-1.21,;4.67,-.44,;6,-1.21,;4.67,1.1,;3.58,2.19,;4.67,3.28,;3.58,4.37,;5.29,4.69,;6.83,4.85,;5.76,2.19,)|
CS(=O)(=O)N1CCC(Nc2ncc3cc(C4CC4)nc(C4CC5(CNCCO5)C4)c3n2)CC1
COC1CC2(C1)CN(C2)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(C1)N1CC(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CC(O)C2)C1
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC(CS(C)(=O)=O)C1
COC1CC2(C1)CN(C2)c1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C1CC1
CCC1CC2(C1)CN(c1nc(C)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc13)C2
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCC(=O)N2
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2c(n1)N1CC2(C1)CC(C)(O)C2
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CC(C)(O)C2
COCCN1CC2(CC(C2)c2nc(cc3cnc(NC4CCN(CC4)S(=O)(=O)CC4CCC4)nc23)C2CC2)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNC(=O)C2
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CCC(=O)NC2
Cc1cc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c(n1)N1CC(O)(C1)C1CC1
Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(C2CC3(C2)CN(C)CCO3)n1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2(F)F
Cc1cc2cnc(N[C@@H]3CCOC[C@H]3O)nc2c(n1)N1CC(O)(C1)C1CC1 |r|
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc2c(n1)N1CC2(C1)CCNCC2(F)F
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(O)(C1)C1CC1 |(7.34,-4.17,;6,-3.4,;4.67,-4.17,;3.33,-3.4,;2,-4.17,;.67,-3.4,;.67,-1.86,;-.67,-1.09,;-2,-1.86,;-2,-3.4,;-3.33,-4.17,;-4.67,-3.4,;-4.67,-1.86,;-3.33,-1.09,;-6,-4.17,;-7.34,-4.94,;-6.77,-2.84,;-5.23,-5.5,;2,-1.09,;3.33,-1.86,;4.67,-1.09,;6,-1.86,;4.67,.45,;5.76,1.54,;4.67,2.63,;5.44,3.96,;3.58,1.54,;3.9,3.96,;3.9,5.5,;2.56,4.73,)|
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
CS(=O)(=O)N1CCC(Nc2ncc3cc(C(F)F)nc(N4CC5(CCNCC5(F)F)C4)c3n2)CC1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC(O)(C1)C(F)F
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)C1CC(O)(C1)C(F)F |(7.34,-4.07,;6,-3.3,;4.67,-4.07,;3.33,-3.3,;2,-4.07,;.67,-3.3,;.67,-1.76,;-.67,-.99,;-2,-1.76,;-2,-3.3,;-3.33,-4.07,;-4.67,-3.3,;-4.67,-1.76,;-3.33,-.99,;-6,-4.07,;-7.34,-4.84,;-6.77,-2.73,;-5.23,-5.4,;2,-.99,;3.33,-1.76,;4.67,-.99,;6,-1.76,;4.67,.55,;5.76,1.64,;4.67,2.73,;5.44,4.07,;3.58,1.64,;3.9,4.07,;2.36,4.07,;4.67,5.4,)|
Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)c3ccn(C)n3)nc2c(n1)N1CC2(CNC2)C(F)(F)C1
CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)nc(N3CC4(CNC4)C(F)(F)C3)c2n1
Cc5cc2cnc(NC1CCN(S(C)(=O)=O)CC1)nc2c(N4CC(F)(F)C3(CN(C)C3)C4)n5
CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)c3cnn(C)c3)nc12
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2F
Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(C2CC3(CNCC3(F)F)C2)n1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CC2(C1)CNCC2C(F)F
CN1CC2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)(F)C1
CN1CC2(C1)CN(CC2(F)F)c1nc(C)cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc12
CN1C[C@H](F)C2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1 |r|
CN1C[C@@H](F)C2(CN(C2)c2nc(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C1 |r|