237 SMILES Strings for Phosphotransferase

Compound Name
SMILES String
Fc1ccc(CSCC(=O)Nc2nc3CCCCc3s2)cc1
Oc1ccccc1N1CCN(CC1)C(=O)c1ccc2ccccc2n1
CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1 |w:13.12|
COC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCn2n1
CCOC(=O)C1(CC1c1ccccc1)C(=O)OCC
CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1O |c:6|
COc1cc(CN2CCN(CC2)c2ccc(C)cc2)cc(c1O)[N+]([O-])=O
[O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)NC1CCCCC1
COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1
CCOC(=O)CN1[C@H](C)[C@@H]([C@H](CCc2ccccc2)NC1=O)C(=O)OC
COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14|
O=c1n([se]c2ccccc12)-c1ccccc1
O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
OC(=O)CCCCC1CCSS1
CCCCCCCCCCCNC(=O)c1ccoc1C
[O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|
COc1cc(C=C(C#N)c2nc3CCCCc3s2)ccc1O
O=c1n(sc2ccccc12)-c1ccccc1
CCCCc1ccc(\C=C2\C(=O)ON=C2c2ccccc2)s1 |c:13|
CC(CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |c:15|
Cc1ccccc1-n1sc2cc(F)ccc2c1=O
COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
O=c1n(sc2ccccc12)-c1nccs1
Fc1ccc2c(c1)sn(CC(=O)Nc1ccccc1)c2=O
Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
Clc1ccccc1-n1sc2ccccc2c1=O
Clc1ccc(cc1)-n1c(=O)c2ccccc2s1=O
Fc1cccc(c1)-n1sc2ccccc2c1=O
Fc1cccc(c1)-n1c(=O)c2ccccc2s1=O
Fc1ccccc1-n1sc2ccccc2c1=O
Clc1cccc(c1)-n1sc2ccccc2c1=O
Cn1sc2ccccc2c1=O
Clc1ccc(cc1)-n1sc2ccccc2c1=O
O=c1n(oc2ccccc12)-c1ccccc1
Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
O=c1s[nH]c2ccccc12
Cn1sc(=O)c2ccccc12
Fc1ccc2c(c1)sn(Cc1ccccc1)c2=O
Cc1ccc(c(C)c1)-n1sc2cc(F)ccc2c1=O
COc1ccccc1-n1sc2ccccc2c1=O
COc1cccc(c1)-n1sc2ccccc2c1=O
COc1ccc(cc1)-n1sc2ccccc2c1=O
[O-][N+](=O)c1ccc2sn(-c3ccccc3)c(=O)c2c1
Cc1ccccc1N1Cc2ccccc2C1=O
Fc1ccc(S)c(c1)C(=O)Nc1ccccc1
Fc1ccc2sn(-c3ccccc3Cl)c(=O)c2c1
COc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1
Clc1ccc(c(Cl)c1)-n1sc2ccccc2c1=O
O=c1n(sc2ncccc12)-c1ccccc1
CC(=O)Nc1ccc2sn(-c3ccccc3)c(=O)c2c1
FC(F)(F)c1ccc2sn(-c3ccccc3)c(=O)c2c1
O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1
Fc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
COc1ccc2sn(-c3ccccc3)c(=O)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
[O-][N+](=O)c1ccc2c(c1)sn(-c1ccccc1)c2=O
Brc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Ic1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
O=c1n(sc2cc(ccc12)C#N)-c1ccccc1
CC(=O)Nc1ccc2c(c1)sn(-c1ccccc1)c2=O
Cc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
COc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
FC(F)(F)c1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Ic1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Clc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
O=c1n(sc2ccc(cc12)C#N)-c1ccccc1
Cn1n(-c2ccccc2)c(=O)c2ccccc12
Fc1cc2sn(-c3ccccc3)c(=O)c2cc1F
O=c1ccsn1-c1ccccc1
COc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)C#N
Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
O=C(Cn1sc2ccccc2c1=O)NCc1ccccc1
CCOC(=O)Cn1sc2ccccc2c1=O
O=C(NCc1ccccc1)n1sc2ccccc2c1=O
Cc1cc(=O)n(s1)-c1ccccc1
O=C(Nc1ccccc1)n1sc2ccccc2c1=O
Brc1ccc2c(c1)sn(-c1ccccc1)c2=O
FC(F)(F)c1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Fc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
O=C(c1ccccc1)n1sc2ccccc2c1=O
Fc1ccc2sn(-c3ccc(Cl)cc3)c(=O)c2c1
Cc1ccc(cc1)-n1sc2ccccc2c1=O
CN(C)c1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
O=C(Cn1sc2ccccc2c1=O)NC1CCCCC1
O=C(Cn1sc2ccccc2c1=O)N1CCCCC1
O=C(Cn1sc2ccccc2c1=O)N1CCOCC1
O=c1cc(sn1-c1ccccc1)-c1ccccc1
Brc1csn(-c2ccc(Br)cc2)c1=O
O=C(CCn1sc2ccccc2c1=O)Nc1ccccc1
COc1ccc2c(c1)sn(-c1ccccc1)c2=O
O=c1n(sc2ccc(cc12)N1CCOCC1)-c1ccccc1
Brc1ccc2c(c1)c(=O)n(-c1ccccc1)s2=O
FC(F)(F)c1ccccc1NC(=O)Cn1sc2ccccc2c1=O
CN(C)c1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
CN(Cc1ccccc1)C(=O)Cn1sc2ccccc2c1=O
CC(C(=O)Nc1ccccc1)n1sc2ccccc2c1=O
Fc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Clc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
COc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1C#N
Brc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Ic1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Brc1ccc2sn(-c3ccccc3)c(=O)c2c1
Brc1cccc2sn(-c3ccccc3)c(=O)c12
Brc1cccc2C(=O)N(CSc12)c1ccccc1
COc1ccc(cc1)C(=O)Nc1cc(OC)ccc1C(O)=O
COc1ccc(NC(=O)Nc2ccccc2C(O)=O)cc1
CCOC(=O)c1ccncc1NC(=O)c1ccc(OC)cc1
COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)cc1
COc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
COc1ccc(cc1)C(=O)Nc1cccc(Cl)c1
COc1cccc(c1)C(=O)Nc1cc(Cl)ccc1C(O)=O
COc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(O)=O
COc1ccc(cc1)C(=O)Nc1cnccc1C(O)=O
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn[nH]1
COc1ccc(cc1)C(=O)NCC(O)=O
COc1ccc(cc1)C(=O)NC(CC([O-])=O)c1ccccc1
COc1ccc(cc1Cl)C(=O)Nc1ccccc1C(O)=O
CCOc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1C(O)=O
COc1ccc(cc1)-c1cc2ccccc2[nH]1
COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1S(N)(=O)=O
COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(OC)cc1
COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1[N+]([O-])=O
COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C#N
COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1OC
COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1
COc1ccccc1C(=O)Nc1cc(Cl)ccc1C(O)=O
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)cc1
CCc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(=O)OC
COc1ccc(cc1)C(=O)Nc1cc(F)ccc1C(O)=O
OC(=O)c1ccccc1NC(=O)c1ccccc1C(O)=O
COc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1C(O)=O
CCc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
COc1ccc(Nc2cc(Cl)ccc2C(O)=O)cc1
COc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(Cl)cc1
COc1ccc(cc1)C(=O)NC(CC(O)=O)c1cccc(Cl)c1
OB1OCc2cc(ccc12)C(F)(F)F
OB1OCc2ccc(Oc3ccc(cc3)C#N)cc12
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1
COc1ccc(cc1)C(=O)Nc1cc(ccc1C(O)=O)C(F)(F)F
COc1ccc(cc1)C(=O)N(C)c1cc(Cl)ccc1C(O)=O
COc1ccc(cc1)C(=O)Nc1cc(ccc1C(O)=O)-c1ccccc1
COc1ccc(cc1)C(=O)NC(C(O)=O)c1ccccc1
COc1ccc(NC(=O)c2ccc(Cl)cc2C(O)=O)cc1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccsc1
COc1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(O)=O
COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)C(O)=O
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccncc1
CC(=O)Nc1cc(Cl)ccc1C(O)=O
COc1ccc2C(=O)N(Cc2c1)c1cc(Cl)ccc1C(O)=O
OC(=O)c1ccc(Cl)cc1NC(=O)N1CCOCC1
OC(=O)c1ccc(Cl)cc1NC(=O)c1cocn1
COc1ccc(cc1)C(=O)Nc1cc(F)cc(F)c1O
COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1-c1nnn[nH]1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(O)=O)cc1
COc1cccc(CC(=O)Nc2cc(Cl)ccc2C(O)=O)c1
COc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
COc1ccc(C(O)=O)c(NC(=O)c2ccc(Cl)cc2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
CC(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
CCc1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(O)=O
Cc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
CCCCCCCC(=O)Nc1cc(Cl)ccc1C(O)=O
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2OCOc2c1
COc1cc(cc(OC)c1OC)C(=O)Nc1cc(Cl)ccc1C(O)=O
Cc1cccc(c1)C(=O)Nc1cc(Cl)ccc1C(O)=O
CCCc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
CCCCCC(=O)Nc1cc(Cl)ccc1C(O)=O
CCCCCCC(=O)Nc1cc(Cl)ccc1C(O)=O
COc1ccc(cn1)C(=O)Nc1cc(Cl)ccc1C(O)=O
COc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CC(C)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1C(O)=O
OC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(=O)CC1
OC(=O)c1ccc(Cl)cc1NC(=O)c1coc2ccccc12
OC(=O)c1ccc(Cl)cc1NC(=O)C1CCOCC1
COc1ccc(cc1)C(=O)Nc1cc(I)ccc1C(O)=O
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)-c1cccs1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)C(F)(F)F
CC(C)Cc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cc2ccccc2)cc1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2ccccc2c1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2CCCc2c1
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(O)=O)c(C)c1
Cc1ccc(cc1C)C(=O)Nc1cc(Cl)ccc1C(O)=O
OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)C1CC1
Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O
CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
OP(O)(=O)C(CNc1cccc(c1)-c1ccccc1)P(O)(O)=O
OP(O)(=O)C(Nc1ccc(F)c(c1)-c1ccccc1)P(O)(O)=O
OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O
CCCCCCCc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1
OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
OP(O)(=O)C(Nc1cccc(c1)[N+]([O-])=O)P(O)(O)=O
OC(Cn1cnc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Cc1cc(c(F)cc1F)-c1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
OCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1
OC(c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
OP(O)(=O)C(Nc1cccc(c1)-c1ccc(F)c(F)c1)P(O)(O)=O
OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O
OP(O)(=O)C(Nc1cccc(c1)-c1ccccc1)P(O)(O)=O
COCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1
OP(O)(=O)C(Nc1ncccc1OCc1ccccc1)P(O)(O)=O
OP(O)(O)C(=NC1CC1)P(O)(O)=O |w:5.5|
C[C@H](N=C(P(O)(O)O)P(O)(O)=O)c1cccc2ccccc12 |w:3.3|
c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O
OC(Cc1cccc(c1)-c1ccc(=O)[nH]c1)(P(O)(O)=O)P(O)(O)=O
Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c2)c1
C[N+](C)=c1ccn(CC(O)(P(O)(O)=O)P(O)(O)=O)cc1 |(18.73,-7.4,;19.81,-8.49,;19.41,-9.97,;21.3,-8.1,;21.71,-6.6,;23.2,-6.21,;24.28,-7.32,;25.78,-6.92,;27.11,-7.69,;28.44,-8.45,;27.88,-6.35,;29.21,-7.11,;26.54,-5.59,;28.63,-5.02,;26.35,-9.02,;27.69,-9.79,;25.02,-8.25,;25.57,-10.35,;23.88,-8.8,;22.4,-9.19,)|
OP(O)(O)C(CN[C@@H](C=O)c1ccccc1)P(O)(O)=O
OC(Cn1cnc2ccccc12)(P(O)(O)=O)P(O)(O)=O
OC(CC12CC3CC(CC(C3)C1)C2)(P(O)(O)=O)P(O)(O)=O |TLB:10:9:12:5.4.6,10:5:12:9.11.8,THB:8:7:4:9.11.10,8:9:4:7.12.6|
OP(O)(=O)C(Nc1cccc(c1)-c1ccc(=O)[nH]c1)P(O)(O)=O
OP(O)(=O)C(Cc1cccc(c1)-c1ccccc1)S(O)(=O)=O
CN(CCOc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2|
OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
CC(C)(C)c1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1
CCCCN(CC)C(P(O)(O)=O)P(O)(O)=O
CCOC(=O)C(Cc1cccc(c1)-c1ccccc1)P(O)(O)=O
OC(C[n+]1ccccc1)(P(O)(O)=O)P(O)([O-])=O
OP(O)(=O)CNc1cccc(c1)-c1ccccc1
OC(NC1CCCCCC1)(P(O)(O)=O)P(O)(O)=O
OP(O)(=O)C(Nc1ccc(Cl)cc1Cl)P(O)(O)=O
OC(CNc1ccncc1)(P(O)(O)=O)P(O)(O)=O