112 SMILES Strings for Thyroid peroxidase

Compound Name
SMILES String
c1ccc(c(c1)C(=O)NO)O
c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO
ONC(=O)c1ccc(Cc2ccccc2)cc1O
ONC(=O)c1c[nH]c(NCc2ccccc2)nc1=O
CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;;HN;;;;;;$|
CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;;HN;;;;;;$|
C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
C[C@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
CNC(C)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;HN;;;;;;;;;;;;;;;HN;;;;;;$|
CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;HN;;;;;;;;;;;;;;HN;;;;;;$|
NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;HN;;;;;;$|
CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;HN;;;;;;;;;;;;;;HN;;;;;;$|
O=c1[nH]c(=S)n(Cc2ccccc2CNCC2CCC2)c2cc[nH]c12 |$;;;;;;;;;;;;;;HN;;;;;;;;;HN;$|
O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCC2)c2cc[nH]c12 |$;;;;;;;;;;;;;;HN;;;;;;;;HN;$|
O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCCC2)c2cc[nH]c12 |$;;;;;;;;;;;;;;HN;;;;;;;;;HN;$|
CC(C)CNCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;HN;;;;;;;;;;;;;HN;;;;;;$|
CC(C)NCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;HN;;;;;;;;;;;;;HN;;;;;;$|
NCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F |$;;;;;;;;;;;;;HN;;;;;;;;;;$|
CNCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F |$;HN;;;;;;;;;;;;;HN;;;;;;;;;;$|
O=c1[nH]c(=S)n(Cc2ccccc2[C@H]2CCCCN2)c2cc[nH]c12 |r|
O=c1[nH]c(=S)n(Cc2ccccc2[C@@H]2CCCCN2)c2cc[nH]c12 |r|
Clc1ccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)c(c1)[C@H]1CCCCN1 |r|
Clc1ccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)c(c1)[C@@H]1CCCCN1 |r|
Clc1ccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)c(c1)[C@H]1CCCN1 |r|
Clc1ccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)c(c1)[C@@H]1CCCN1 |r|
Clc1ccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)c(c1)[C@H]1COCCN1 |r|
Clc1ccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)c(c1)[C@@H]1COCCN1 |r|
Clc1ccc(Cn2c3nc[nH]c3c(=O)[nH]c2=S)c(c1)C1COCCN1
O=c1[nH]c(=S)n(Cc2ccccc2[C@H]2CCCCCN2)c2cc[nH]c12 |r|
O=c1[nH]c(=S)n(Cc2ccccc2[C@@H]2CCCCCN2)c2cc[nH]c12 |r|
Clc1ccc(Cn2c3nc[nH]c3c(=O)[nH]c2=S)c(c1)C1CCCCCN1
O=c1[nH]c(=S)n(Cc2ccccc2[C@H]2COCCN2)c2cc[nH]c12 |r|
CN1CCNC(C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
FC(F)(F)[C@@H]1CCN[C@@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@H]1CCN[C@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)C1CCC(NC1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
FC1(F)CCN[C@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC1(F)CCN[C@@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@H]1CCN[C@H](C1)c1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@@H]1CCN[C@@H](C1)c1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
FC1(F)CCNC(C1)c1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S
FC1CCC(NC1)c1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S
FC(F)(F)[C@@H]1CCN[C@@H](C1)c1ncccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@H]1CCN[C@H](C1)c1ncccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@@H]1CCN[C@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@H]1CCN[C@@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@H]1CCN[C@@H](C1)c1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@@H]1CCN[C@H](C1)c1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
FC(F)[C@H]1CCN[C@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)[C@@H]1CCN[C@@H](C1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
O=c1[nH]c(=S)n(Cc2cccnc2C2CCCCN2)c2cc[nH]c12
FC(F)(F)[C@H]1CCN[C@H](C1)c1cccnc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@H]1CCN[C@H](C1)c1cnccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
O=c1[nH]c(=S)n(Cc2cccc3CCNCc23)c2cc[nH]c12
NC1(CCC1)c1ccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)cc1
O=c1[nH]c(=S)n(Cc2ccc3CNCc3c2)c2cc[nH]c12
O=c1[nH]c(=S)n(Cc2cccc3CNCc23)c2cc[nH]c12
NC1(CCC1)c1cccc(Cn2c3cc[nH]c3c(=O)[nH]c2=S)c1
O=c1[nH]c(=S)n(Cc2ccccc2C2CCCNC2)c2cc[nH]c12
O=c1[nH]c(=S)n(Cc2ccccc2[C@H]2CNCCO2)c2cc[nH]c12 |r|
O=c1[nH]c(=S)n(Cc2ccccc2C2CCNCC2)c2cc[nH]c12
FC(F)(F)[C@@H]1CCN[C@H](C1)c1ncccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
FC(F)(F)[C@H]1CCN[C@@H](C1)c1ncccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
Cc1ccc2nc(-c3cccnc3)c(Nc3ccc4c(c3)OCO4)n2c1
COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc1
Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc2c1
CCCC1=CC(=O)NC(=S)N1
c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3
Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1
Nc1ncnc2n(cc(-c3ccc4cc[nH]c4c3)c12)-c1ccc(OCCNCCO)cc1
CN(C)Cc1ccc(cc1)-n1cc(-c2ccc3cc[nH]c3c2)c2c(Cl)ccnc12
NCc1ccc(cc1)-n1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1
FC(F)(F)c1nn(cc1-c1ccc2cc[nH]c2c1)-c1ccc(Cc2nc[nH]n2)cc1
N[C@@H](c1ccc(cc1)-n1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1)C(F)(F)F |r|
NCCCCn1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1
NC(=O)CCn1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1
NC(=O)Cn1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1
NC[C@H]1C[C@@H](C1)n1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1 |r,wU:4.6,wD:2.1,(25.4,-16.59,;26.43,-15.44,;25.94,-13.98,;26.63,-12.6,;25.26,-11.92,;24.57,-13.29,;24.77,-10.46,;25.67,-9.2,;24.76,-7.96,;23.3,-8.45,;23.3,-9.99,;22.04,-7.55,;22.2,-6.02,;20.64,-8.18,;20.7,-6.77,;25.23,-6.5,;24.19,-5.37,;24.65,-3.9,;26.17,-3.57,;26.93,-2.23,;28.45,-2.55,;28.61,-4.08,;27.2,-4.72,;26.74,-6.17,)|
N[C@@H]1CC[C@H](C1)n1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1 |r|
Nc1cc(Cc2ccccc2)c2nn[nH]c2n1
Nc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
Nc1cc([C@H](CCNCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
Nc1cc([C@H](CCN[C@@H]2CC[C@H](OC2)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
Nc1cc(C(CCNC23CCC(CC2)(OC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |(4.37,-54.45,;5.71,-53.68,;5.71,-52.14,;7.04,-51.36,;7.04,-49.82,;8.37,-49.05,;9.71,-49.81,;11.04,-49.04,;12.38,-49.81,;12.38,-51.34,;13.7,-52.11,;15.05,-51.34,;13.82,-51.06,;13.7,-50.02,;15.04,-49.8,;13.7,-49.02,;16.37,-52.11,;16.37,-53.66,;17.71,-54.43,;19.04,-53.66,;19.04,-52.11,;17.71,-51.34,;5.7,-49.06,;5.7,-47.52,;4.36,-46.75,;3.03,-47.52,;3.04,-49.07,;4.38,-49.83,;8.38,-52.13,;9.85,-51.65,;10.76,-52.9,;9.85,-54.15,;8.38,-53.67,;7.04,-54.45,)|
Nc1cc([C@H](CCCN2CCC(CC2)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
CN(CC[C@H](c1ccccc1)c1cc(N)nc2[nH]nnc12)C12CCC(CC1)(CC2)c1ccccc1 |r|
Nc1cc(Cc2ccn(n2)-c2ccc(F)cc2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(n2)-c2ccccc2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(n2)-c2ccccn2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(n2)-c2cccc(c2)-c2ccccc2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccccc3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccc4ccccc4c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(c3)-c3ccccc3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccc4cnccc4c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccc4CNCCc4c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5CNCc45)c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(O[C@H]4CCNC4)c3)n2)c2nn[nH]c2n1 |r|
Nc1cc(Cc2ccn(Cc3cccc(c3)C3CCNCC3)n2)c2nn[nH]c2n1
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12 |r|
c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F
CC(C)NCc1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S
O=c1[nH]c(=S)n(Cc2ccccc2CN2CCC2)c2cc[nH]c12
NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
CC(C)(C)CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
CC(=O)NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
CNCc1c(Cl)cccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
CNCc1ccc(Cl)cc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
CN[C@H](C)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|