143 SMILES Strings for Solute carrier family 22 member 6

Compound Name
SMILES String
CC(C)(Sc1ccnc2ccc(cc12)C(F)(F)F)C(=O)NS(C)(=O)=O
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
OC(Cc1ccc(O)cc1)C([O-])=O
CC(C)C(O)C([O-])=O
[O-]C(=O)CCCCC([O-])=O
[O-]C(=O)CCCC([O-])=O
C(=C/C(=O)O)\C(=O)O
OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)|
OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)|
CC(=O)NC(CC([O-])=O)C([O-])=O
C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CC[C@@H]2OS([O-])(=O)=O |r|
[O-]C(=O)CCCCCCC([O-])=O
CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O |r|
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C([O-])=O)c3ccsc3)C(=O)N2[C@H]1C([O-])=O |r|
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Nc1ccc(cc1)C(=O)NCC([O-])=O
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1 |r|
c1ccc(cc1)C(=O)NCC(=O)O
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O |r|
Oc1ccc(CC(=O)C([O-])=O)cc1
CCCCCCC([O-])=O
c1ccc(cc1)CC(=O)C(=O)O
c1ccc(c(c1)C(=O)O)O
C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O
CCCCCC(=O)O
CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O
CC(=O)Oc1ccccc1C(=O)O
CCCCC(CC)C([O-])=O
CC(O)CC([O-])=O
[O-]C(=O)c1ccccc1
CCC(C)C([O-])=O
CCC(=O)O
CCCC(=O)O
CC(=O)C(=O)O
CC(C)CC(=O)O
CCSC[C@H](NC(C)=O)C(O)=O |r|
OC(=O)CNC(=O)c1ccccc1O
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
C[C@H](O)CC(O)=O |r|
CC(=O)N[C@@H](CC(=O)O)C(=O)O
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O
CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
C(C(CC(=O)O)O)C(=O)O
C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3|
O[C@@H](CCC(O)=O)C(O)=O |r|
[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|
CC(=O)NC(CSCC1=CC=C2C=Cc3cccc4CC=C1C2c34)C(O)=O |c:12,t:8,10,20|
c1ccc(cc1)C(=O)NCCC(=O)O
CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl
Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)O
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r|
[O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12 |r,c:3|
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |r,t:1|
CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O |r|
CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
CC(C)[C@@H](O)C(O)=O |r|
CC(C)[C@@H](C(=O)O)O
CC[C@@H](C)C(O)=O |r|
CC[C@H](C)C(=O)O
C[C@H](CC(=O)O)O
c1cc(ccc1C[C@@H](C(=O)O)O)O
CCCC[C@H](CC)C(O)=O |r|
CCCC[C@@H](CC)C(O)=O |r|
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccnc1
CC(C)C1CCC(CC1)C(=O)N[C@H](Cc2ccccc2)C(=O)O
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
CC(=O)Nc1nnc(s1)S(=O)(=O)N
CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O
c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
OS(=O)(=O)Oc1c[nH]c2ccccc12
OS(=O)(=O)CC(S)CS
CC(=O)N[C@@H](CS)C(=O)O
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl
OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
CCOc1ccc(cc1)NC(=O)C
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12|
N[C@H](CS\C(Cl)=C\Cl)C(O)=O |r|
N[C@H](CSc1nc2ccccc2s1)C(O)=O |r|
N[C@@H](CSc1nc2ccccc2s1)C(O)=O |r|
N[C@H](CSC(F)(F)C(F)Cl)C(O)=O |r|
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
OS(=O)(=O)CC(S)CSSCC(S)S(O)(=O)=O
OS(=O)(=O)Oc1ccc(cc1)C1(OC(=O)c2c1c(Br)ccc2Br)c1ccc(OS(O)(=O)=O)cc1
OC(=O)CNC(=O)c1ccc(O)cc1
CC(=O)Oc1c[nH]c2ccccc12
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O
Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26|
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:23|
CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16|
CC(=O)Nc1ccc(cc1)O
CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O
c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N
Nc1ccn(C[C@H]2COP(O)(=O)CO2)c(=O)n1 |r|
c1cc(ccc1C(=O)NCC(=O)O)N
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14|
Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 |r|
[H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |r,c:12|
C(CC(=O)O)CC(=O)O
[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)Cc1csc(N)n1)C(O)=O |c:17|
CN\C(NC#N)=N/CCSCc1nc[nH]c1C
CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(C)=O)C(O)=O)[C@@H](O)CCCC(O)=O |r|
COC(=O)[C@@H](CSCc1ccccc1)NC(C)=O |r|
CCSC[C@@H](NC(C)=O)C(O)=O |r|
CC(=O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |r|
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
CCCCCCCC(=O)O
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O
[H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc12)OCCCOC(=O)[C@H](N)CC(C)C |r|
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C
COc1cc(ccc1O)C(=O)c1ccc(O)c(OC)c1
Cc1c(O)ccc-2c1CCc1cc(O)cc(C=C)c-21
Cc1c(O)ccc-2c1CCc1c(C=C)c(ccc-21)C(O)=O
Cc1c(O)ccc-2c1CCc1cc(C(O)=O)c(C=C)cc-21
COC(C)c1cc(O)cc2CCc3c(C)c(O)ccc3-c12
Cc1c(O)ccc-2c1CCc1cc(cc(C=C)c-21)C(O)=O
Oc1c(Br)cc(cc1Br)C(=O)N1CCOc2ccncc12
COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|
CCC(C)(C)C(O)=O
CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C
CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|
COc1cc(ccc1CSc1ccncc1N(C)c1ccc(C#N)c2ccccc12)C([O-])=O
[O-]C(=O)c1ccccc1CSc1ccncc1Nc1ccc(C#N)c2ccccc12
[O-]C(=O)CCCSc1ccncc1Oc1ccc(C#N)c2ccccc12
CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C([O-])=O
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
Oc1c(Cl)cc(cc1Cl)C(=O)n1ccc2cccnc12
O=C(c1ccnc2ccc(Br)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F
O=C(c1ccnc2ccc(C3CC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F
C[C@H]1CN(Cc2cnn(n2)-c2cc(C)c(cn2)C#N)C[C@H](N1)c1ccc2C(=O)OCc2c1C |r|
c1cc2c(nc1)CC3([C@@H]2N)CCN(CC3)c4cnc(c(n4)N)Sc5ccnc(c5Cl)N