161 SMILES Strings for Glyceraldehyde-3-phosphate dehydrogenase

Compound Name
SMILES String
Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21
CC(=C)[C@@H]1Cc2c(O1)cc(O)c1ccc(=O)oc21
CC(=C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1
CC(=C)[C@H]1O[C@@H]1c1c(O)ccc2ccc(=O)oc12
CC(=O)OC1(CCCCC1)N=O
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4cc5ccccc5n4[C@]3(C)CC[C@H]2C1(C)C |r|
CC(=O)Oc1cc(OC(C)=O)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
CC(=O)Oc1ccc(cc1)-c1cc2cc(OC(C)=O)ccc2oc1=O
CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2cc(OC(C)=O)c(OC(C)=O)cc2oc1=O
CC(=O)Oc1ccc2oc(=O)c(cc2c1)-c1ccc2OCOc2c1
CC(=O)Oc1ccc2oc(=O)c(cc2c1)-c1ccccc1
CC(=O)Oc1cccc(c1)-c1cc2cc(OC(C)=O)ccc2oc1=O
CC(C)(C)C(=O)OC1(CCCCC1)N=O
CC(C)(C=C)c1cc2ccc(O)cc2oc1=O
CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C |r|
CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c(C)[nH]c3ccc(NC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC45)cc23)C(=O)C1=O |(26.44,-.89,;24.97,-1.34,;24.62,-2.84,;23.85,-.28,;22.37,-.73,;22.02,-2.23,;23.13,-3.27,;22.78,-4.77,;21.31,-5.21,;20.2,-4.16,;18.67,-4.28,;18.08,-2.86,;19.25,-1.86,;20.56,-2.67,;17.86,-5.59,;18.6,-6.95,;20.14,-6.99,;17.79,-8.26,;18.52,-9.62,;16.25,-8.22,;15.44,-9.53,;16.42,-10.73,;17.96,-10.65,;15.58,-12.03,;14.08,-11.63,;12.79,-12.47,;11.42,-11.77,;11.34,-10.23,;9.97,-9.53,;8.63,-10.28,;8.61,-11.82,;7.3,-9.5,;7.32,-7.96,;8.66,-7.2,;8.68,-5.66,;10.02,-4.91,;10.04,-3.37,;11.38,-2.61,;12.7,-3.4,;11.39,-1.07,;12.74,-.32,;12.75,1.22,;14.1,1.98,;15.42,1.19,;15.56,-.34,;17.07,-.67,;17.84,.66,;19.25,1.26,;19.11,2.79,;20.27,3.8,;17.62,3.13,;16.83,1.81,;12.63,-9.39,;14,-10.08,;15.52,-6.87,;13.98,-6.83,;16.32,-5.56,;15.58,-4.21,)|
CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)C(=O)C1=O |(10.47,-14.93,;9.15,-15.73,;9.19,-17.27,;7.8,-15,;6.48,-15.8,;6.54,-17.34,;8.04,-17.62,;8.56,-19.08,;7.56,-20.24,;6.05,-19.96,;4.83,-20.89,;3.56,-20.01,;4,-18.54,;5.54,-18.5,;4.86,-22.43,;6.18,-23.23,;7.53,-22.49,;6.15,-24.77,;7.46,-25.57,;4.8,-25.5,;4.76,-27.04,;5.94,-28.02,;5.37,-29.44,;3.84,-29.34,;2.75,-30.41,;1.27,-30,;.89,-28.51,;1.99,-27.44,;3.47,-27.85,;7.48,-28.01,;7.49,-29.55,;7.46,-26.47,;9.01,-27.99,;9.8,-29.31,;3.48,-24.72,;2.13,-25.46,;3.51,-23.18,;2.19,-22.39,)|
CC(C)CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(C)COC(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
CC(C)Nc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(CO)CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1 |c:17|
CC1=C2C(COc3ccc4ccc(=O)oc4c23)OC1=O |t:1|
CCC(C)CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
CCCCCc1nnc(NC(=O)Cc2cccs2)s1
CCCCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
CCOC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O |r|
CCOc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
CCc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
COC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:22|
COc1c2CCOc2cc2oc(=O)ccc12
COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1
COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O
COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12
COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
COc1cc(ccc1O)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
COc1cc2ccc(=O)oc2cc1O
COc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1 |t:7|
COc1ccc(cc1)-c1[nH]nc(c1-c1nc2ccccc2[nH]1)-c1ccccc1
COc1ccc(cc1)-n1nc2c(cn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c3ccccc23)c1=O |r|
COc1ccc(cc1OC)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
COc1cccc(C(=O)NC2C(O)C(CO)OC2n2cnc3c(N)ncnc23)c1O
COc1cccc(c1)-c1cc2cc(OC(C)=O)ccc2oc1=O
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)nc(C)nc12
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc12
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NC(=O)C(C)C)ncnc12
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cc(C)ccc3C)ncnc12
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cccc(C)c3C)ncnc12
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3)ncnc12
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3C)ncnc12
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3OC)ncnc12
COc1cccc(c1)C(=O)NC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H](C(O)C2O)[n+]2ccc(cc2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
COc1cccc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O
COc1cccc(c1)C(=O)N[C@@H]1CCC[C@H]1n1cnc2c(N)ncnc12
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccc(OC)c4ccccc34)ncnc12
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r|
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r|
COc1cccc2C(=O)C=C(Oc3ccc(F)cc3)C(=O)c12 |t:9|
COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
COc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1NC(=O)c1ccccc1
CSc1nnc(-c2ccco2)c(n1)-c1ccco1
C[C@@]12CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]1C[C@@H]1Nc3ccccc3[C@H]21 |r|
Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O |c:7|
Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Cc1cc(NC(=O)Cc2ccc(C)cc2)no1
Cc1cc(NC(=O)Cc2cccs2)no1
Cc1cc(NC(=O)\C=C\c2cccs2)no1
Cc1cc(NC(=O)c2cccs2)no1
Cc1ccc(cc1)C(=O)NCCn1cnc2c(N)ncnc12
Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
Cc1cccc(CNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(CC1)c1ccccc1
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Cc1nc(N)c2[nH]cnc2n1
Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
FC(F)(F)C(=O)OC1(CCCCC1)N=O
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
NC(=O)c1ccccc1C(=O)NC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
NCCc1cc(O)c(O)cc1O
NCCn1c(nc2c(N)ncnc12)-c1cccs1
NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|
Nc1ccc(CNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Nc1ncnc2n(C3OC(CO)C(O)C3NC(=O)c3ccccc3)c(Br)nc12
Nc1ncnc2n(C3OC(CO)C(O)C3NC(=O)c3ccccc3)c(nc12)-c1cccs1
Nc1ncnc2n(C3O[C@H](CO)[C@@H](O)[C@H]3O)c(SC3CCCCC3)nc12 |r|
Nc1ncnc2n(C3O[C@H](CO)[C@@H](O)[C@H]3O)c(Sc3ncccn3)nc12 |r|
Nc1ncnc2n(CCNC(=O)c3cccc(Cl)c3)cnc12
Nc1ncnc2n(CCNC(=O)c3cccc(F)c3)cnc12
Nc1ncnc2n(CCNCc3ccccc3)c(nc12)-c1cccs1
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1 |r|
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1cccs1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cc(O)c(O)c(O)c1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cc(O)cc(O)c1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccc(cc1)-c1ccccc1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccc2cccnc2c1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccc2nc[nH]c2c1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccc(Cl)c1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccc(O)c1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1cccs1
Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NCc1ccccc1
Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1
Nc1ncnc2n(cnc12)[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1
Nc1ncnc2n(cnc12)[C@@H]1CCC[C@H]1NC(=O)c1ccccc1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
O=C(Cc1cccs1)Nc1ccon1
O=C1C=C(Oc2ccccc2)C(=O)c2ccccc12 |t:2|
O=c1ccc2ccccc2o1
O=c1oc2ccc(cc2cc1-c1ccc2OCOc2c1)\N=C\c1ccc[nH]1
O=c1oc2ccc(cc2cc1-c1ccc2OCOc2c1)\N=C\c1ccco1
OC(=O)C1Nc2c(I)cccc2C2C=CCC12 |c:14|
OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|
OC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12 |c:15|
OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|
OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)Oc1ccc2ccccc2c1 |c:13|
OC(=O)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O |c:13|
OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
OCC1OC(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@H]1O
OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Sc3ccccc3CO)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(O)cc(O)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
OC[C@H]1O[C@H]([C@H](NC(=O)c2cccc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
O[C@@H]1[C@@H](CN2C(=O)c3ccccc3C2=O)OC([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Oc1ccc(CCNc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccccc3)n2)cc1O
Oc1ccc(cc1)-c1cc2ccccc2oc1=O
Oc1ccc2ccc(=O)oc2c1
Oc1cccc(c1)-c1cc2ccccc2oc1=O
Oc1cccc2C(=O)C(Oc3ccccc3)=CC(=O)c12 |c:16|
Oc1cccc2cc(-c3ccc4OCOc4c3)c(=O)oc12
[#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ncnc2n(-[#6]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])c(nc12)-c1cccs1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
[O-]N([O-])N=O
[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1