117 SMILES Strings for Cytochrome b
Compound Name
SMILES String
Brc1cccnc1Cn1nc(-c2ccccc2)c2ccccc12
C(Oc1cccc(c1)-c1n[nH]c2ccccc12)c1ccccc1
C(c1c[nH]nn1)n1nc(-c2ccccc2)c2ccccc12
C(c1ccccn1)n1nc(-c2ccccc2)c2ccccc12
C(c1cnccn1)n1nc(-c2ccccc2)c2ccccc12
C(c1cncnc1)n1nc(-c2ccccc2)c2ccccc12
C(c1cncs1)n1nc(-c2ccccc2)c2ccccc12
C(c1ncccn1)n1nc(-c2ccccc2)c2ccccc12
C(c1nccs1)n1nc(-c2ccccc2)c2ccccc12
C(c1ncon1)n1nc(-c2ccccc2)c2ccccc12
C(c1nn[nH]n1)n1nc(-c2ccccc2)c2ccccc12
C(c1nnco1)n1nc(-c2ccccc2)c2ccccc12
CC(=O)Nc1ccc2c(nn(Cc3cnccn3)c2c1)-c1cc(ccc1F)C(F)(F)F
CCC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
CCCCCCC1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
CCN(CC)CCOc1cccc(c1)-c1nn(CC(=O)OC)c2ccccc12
CCOc1cccc(c1)-c1nn(CC(=O)OC)c2ccccc12
CN(O)C(=O)Cn1nc(-c2ccccc2)c2ccccc12
CNC(=O)Cn1nc(-c2ccccc2)c2ccccc12
CNc1ccc2c(nn(Cc3cnccn3)c2c1)-c1cc(ccc1F)C(F)(F)F
COC(=O)CNc1ccccc1Oc1ccccc1
COC(=O)Cc1nn(-c2ccccc2)c2ccccc12
COC(=O)Cn1c(C)c(-c2cccc(OCc3ccccc3)c2)c2ccccc12
COC(=O)Cn1cc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
COC(=O)Cn1ccc(n1)-c1cccc(OCc2ccccc2)c1
COC(=O)Cn1nc(-c2c(C)cccc2C)c2ccccc12 |(13.8,-10.81,;12.3,-10.49,;11.82,-9.03,;12.85,-7.88,;10.31,-8.71,;9.84,-7.24,;10.74,-5.99,;9.84,-4.75,;10.31,-3.28,;9.28,-2.14,;7.78,-2.46,;9.76,-.68,;11.27,-.36,;12.3,-1.5,;11.82,-2.96,;12.85,-4.11,;8.37,-5.22,;7.04,-4.45,;5.71,-5.22,;5.71,-6.76,;7.04,-7.53,;8.37,-6.76,)|
COC(=O)Cn1nc(-c2c(F)cccc2F)c2ccccc12 |(13.8,-10.81,;12.3,-10.49,;11.82,-9.03,;12.85,-7.88,;10.31,-8.71,;9.84,-7.24,;10.74,-5.99,;9.84,-4.75,;10.31,-3.28,;9.28,-2.14,;7.78,-2.46,;9.76,-.68,;11.27,-.36,;12.3,-1.5,;11.82,-2.96,;12.85,-4.11,;8.37,-5.22,;7.04,-4.45,;5.71,-5.22,;5.71,-6.76,;7.04,-7.53,;8.37,-6.76,)|
COC(=O)Cn1nc(-c2cc(F)ccc2C)c2ccccc12
COC(=O)Cn1nc(-c2cc(F)ccc2F)c2ccccc12
COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2cccc(C)c12
COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2ccccc12
COC(=O)Cn1nc(-c2cc(OCc3ccccc3)ccc2F)c2ccccc12
COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2c(C)cccc12
COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2c(cccc12)C(F)(F)F
COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2cc(ccc12)C(F)(F)F
COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2cccc(C)c12
COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2ccccc12
COC(=O)Cn1nc(-c2ccc(CCc3ccccc3)cc2)c2ccccc12
COC(=O)Cn1nc(-c2ccc(F)cc2F)c2ccccc12
COC(=O)Cn1nc(-c2cccc(CCc3ccccc3)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(F)c2F)c2ccccc12
COC(=O)Cn1nc(-c2cccc(O)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OC)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCC(C)C)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCC3CCCCC3)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCCC(C)(C)C)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCCC(C)C)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCCC34CC5CC(CC(C5)C3)C4)c2)c2ccccc12 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
COC(=O)Cn1nc(-c2cccc(OCCC3CCCCC3)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCCCC3CCCCC3)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCCN(C(C)C)C(C)C)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCCN(C)C)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCCc3ccccc3)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2C)c2ccccc12
COC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2F)c2ccccc12
COC(=O)Cn1nc(-c2cccc(Oc3ccccc3)c2)c2ccccc12
COC(=O)Cn1nc(-c2cccc(c2)C#N)c2ccccc12
COC(=O)Cn1nc(-c2cccc(c2)C(F)(F)F)c2ccccc12
COC(=O)Cn1nc(-c2cccc(c2)[N+]([O-])=O)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2)c2cccc(C)c12
COC(=O)Cn1nc(-c2ccccc2)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2C#N)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2C(F)(F)F)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2C)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2Cl)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2F)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2O)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2OC)c2ccccc12
COC(=O)Cn1nc(-c2ccccc2OCc2ccccc2)c2ccccc12
COC(=O)Cn1nc(-c2ccccn2)c2ccccc12
COC(=O)Cn1nc(-c2cccnc2)c2ccccc12
COC(=O)Cn1nc(-c2cccs2)c2ccccc12
COC(=O)Cn1nc(-c2ccncc2)c2ccccc12
COC(=O)Cn1nc(-c2ccsc2)c2ccccc12
COC(=O)Cn1ncc2ccccc12
CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1
CON(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc12
CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1O
CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1OC
CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(Cl)ccc1O
CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O
CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OC
CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OC(=O)c1ccc(F)cc1
CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OCc1ccccc1
CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
CO\N=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O
CO\N=C(\C(=O)OC)c1ccccc1COc1ccccc1C
COc1cccc2c(nn(Cc3cnccn3)c12)-c1cc(ccc1F)C(F)(F)F
CS(=O)(=O)Cn1nc(-c2ccccc2)c2ccccc12
CS(=O)(=O)N(c1ccc2c(nn(Cc3cnccn3)c2c1)-c1cc(ccc1F)C(F)(F)F)S(C)(=O)=O
Cc1cc(Cn2nc(-c3ccccc3)c3ccccc23)on1
Cc1cccc2c(nn(Cc3cnccn3)c12)-c1cc(ccc1F)C(F)(F)F
Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(OCCCC2CCCCC2)ccc1F
Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(ccc1F)C(F)(F)F
Cc1nc(Cn2nc(-c3ccccc3)c3ccccc23)no1
Cc1nnc(Cn2nc(-c3ccccc3)c3ccccc23)o1
Cn1cc(Cn2nc(-c3ccccc3)c3ccccc23)nn1
Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
Cn1nnc(Cn2nc(-c3cc(OCCCC4CCCCC4)ccc3F)c3ccccc23)n1
Cn1nnc(Cn2nc(-c3cc(ccc3F)C(F)(F)F)c3ccccc23)n1
Cn1nnc(Cn2nc(-c3ccccc3)c3ccccc23)n1
FC(F)(F)Cn1nc(-c2ccccc2)c2ccccc12
FC(F)Cn1nc(-c2ccccc2)c2ccccc12
Fc1ccc(cc1-c1nn(Cc2cnccn2)c2c(F)cccc12)C(F)(F)F
Fc1ccc(cc1-c1nn(Cc2cnccn2)c2c(cccc12)C#N)C(F)(F)F
Fc1ccc(cc1-c1nn(Cc2cnccn2)c2ccccc12)C(F)(F)F
Fc1ccc(cc1-c1nn(Cc2cnccn2)c2cccnc12)C(F)(F)F
Fc1ccc(cc1-c1nn(Cc2cnccn2)c2ccncc12)C(F)(F)F
Fc1ccc(cc1-c1nn(Cc2cnccn2)c2ncccc12)C(F)(F)F
N#Cc1ncccc1Cn1nc(-c2ccccc2)c2ccccc12
Nc1ccc2c(nn(Cc3cnccn3)c2c1)-c1cc(ccc1F)C(F)(F)F
OC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
OC(=O)Cn1nc(-c2ccccc2)c2ccccc12
OC1=C(C2CCC(CC2)c2ccc(Cl)cc2)C(=O)C(=O)c2ccccc12 |c:1,(13.75,-1.54,;13.75,,;12.42,.77,;11.08,,;9.75,.77,;8.41,,;8.41,-1.54,;9.75,-2.31,;11.08,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-4.62,;4.41,-3.85,;3.08,-4.62,;4.41,-2.31,;5.75,-1.54,;12.42,2.31,;11.08,3.08,;13.75,3.08,;13.75,4.62,;15.08,2.31,;16.46,3.13,;17.86,2.34,;17.86,.74,;16.46,-.05,;15.08,.77,)|
ONC(=O)Cn1nc(-c2ccccc2)c2ccccc12