212 SMILES Strings for Lysophosphatidic acid receptor 3

Compound Name
SMILES String
C[C@@H](OC(=O)Cc1c(nnn1C)-c1ccc(Br)cc1)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
CC(OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
C[C@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
CC(C)[C@@H](C)OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
C[C@@H](OC(=O)Nc1nnn(C)c1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1cccc(c1)C1(CC1)C(O)=O)c1ccccc1 |r|
COC(=O)C1(CC1)c1ccc(cc1)-c1ccc(-c2nnn(C)c2NC(=O)O[C@H](C)c2ccccc2)c(F)c1 |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)C1CCC(CC(O)=O)CC1)c1ccccc1 |r,wD:1.0,(51.8,-50.88,;51.04,-52.22,;49.5,-52.23,;48.72,-50.9,;49.48,-49.56,;47.18,-50.91,;46.4,-49.58,;44.94,-49.14,;44.9,-47.61,;46.34,-47.1,;47.28,-48.32,;48.82,-48.29,;43.57,-49.86,;43.51,-51.4,;42.15,-52.11,;40.85,-51.28,;40.92,-49.74,;42.28,-49.03,;39.48,-51.99,;39.42,-53.53,;38.05,-54.24,;36.75,-53.41,;35.38,-54.12,;34.08,-53.29,;32.71,-54,;34.15,-51.75,;36.82,-51.86,;38.19,-51.16,;51.82,-53.55,;51.06,-54.88,;51.83,-56.21,;53.38,-56.2,;54.14,-54.85,;53.35,-53.52,)|
Cn1ncc(c1Nc1cncc(OC(C)(C)C)n1)-c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(O)=O
Cn1ncc(c1Nc1cncc(OC2CCC2)n1)-c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(O)=O
Cn1ncc(c1Nc1cncc(OC2CC2)n1)-c1ncc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O
Cn1ncc(c1Nc1cncc(n1)C(C)(C)F)-c1ncc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O
Cn1ncc(c1Nc1cncc(OC2CC(F)(F)C2)n1)-c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(O)=O
COC(C)(C)c1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(cc2)C2(CC2)C(O)=O)n1
CC(C)Oc1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(c(C)c2)C2(CC2)C(O)=O)n1
Cn1ncc(c1Nc1cncc(OC2CC2)n1)-c1ccc(cn1)-c1ccc(c(c1)C(F)(F)F)C1(CC1)C(O)=O
Cn1ncc(c1Nc1cncc(OC2CC2)n1)-c1ccc(cn1)-c1ccc(c(c1)C#N)C1(CC1)C(O)=O
Cn1ncc(c1Nc1cncc(OC2CC2)n1)-c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(O)=O
CC(C)Oc1cncc(Nc2c(cnn2C)-c2ncc(cc2F)-c2ccc(cc2)C2(CC2)C(O)=O)n1
Cn1ncc(c1Nc1cncc(n1)C(C)(F)F)-c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(O)=O
Cn1ncc(c1Nc1cncc(n1)C(C)(C)F)-c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(O)=O
COCc1cc(ccc1-c1ccc(nc1)-c1cnn(C)c1Nc1cncc(n1)C(C)C)C1(CC1)C(O)=O
CC(C)c1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(cc2CC#N)C2(CC2)C(O)=O)n1
CC(C)c1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(cc2C#N)C2(CC2)C(O)=O)n1
CC(C)Cc1cncc(Nc2c(cnn2C)-c2ccc(cc2)-c2ccc(cc2)C2(CC2)C(O)=O)n1 |$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
CC(C)c1cncc(Nc2c(cnn2C)-c2ncc(cn2)-c2ccc(cc2)C2(CC2)C(O)=O)n1
CC(C)c1cncc(Nc2c(cnn2C)-c2cnc(cn2)-c2ccc(cc2)C2(CC2)C(O)=O)n1
CC(C)Oc1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(cc2)C2(CC2)C(O)=O)n1
Cn1ncc(c1Nc1cncc(n1)C(F)(F)F)-c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(O)=O
CC(C)c1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(cc2C)C2(CC2)C(O)=O)n1
CC(C)c1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(nc2)C2(CC2)C(O)=O)n1
CC(C)c1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(cn2)C2(CC2)C(O)=O)n1 |$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
Cn1ncc(c1Nc1cncc(Cl)n1)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |$;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
CC(C)c1cncc(Nc2c(cnn2C)-c2ccc(cc2)-c2ccc(cc2)C2(CC2)C(O)=O)n1
CC(C)c1cncc(Nc2c(cnn2C)-c2ccc(cn2)-c2ccc(cc2)C2(CC2)C(O)=O)n1 |$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC
CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC
CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC
CCCCCCCCOC[C@@H](COP(O)(O)=O)OCCCCCCCC
CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC
CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC
CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC
CCCCCCCCNC(=O)[C@@H](COP(O)(O)=O)NC(=O)CCCCCCC
CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC
CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=O)O1
CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@H](COP(O)([O-])=O)O1
CCCCCCC\C=C\CCCCCCCC[C@H]1OC[C@@H](COP(O)([O-])=O)O1
CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCC)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCCCCC#C)cc1
CCCCCCCCCCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCC=C)cc1
CCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCC2CCCCC2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCCC(C)C)cc1
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OC(=O)c2ccc(N)cc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2cccc(OC)c2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
CCCCCCCCCCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2cccc(OC)c2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCCC(C)C)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OC2Cc3ccccc3C2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCC#C)cc1
CCCCCCCCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCC)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OC)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cccc(OC)c2)cc1
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=S)P(O)(O)=O
CCCCCCCC\C=C/CCCCCCCC(=O)NCCOP(O)(O)=O
CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(O)(P(O)(O)=O)P(O)(O)=O
CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(F)P(O)(O)=O
CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=S
CCCCCCCC\C=C/CCCCCCCC(=O)NCCCP(O)(O)=O
CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)O
CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=O
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CC(=O)P(O)(O)O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cccc(OC)n2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCC)ccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccncc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cccnc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OC)c3ccccc3n2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2cccc(OC)n2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccncc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCP(O)(O)=O)Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1
CCCCCCCCCCCCCCCC(=O)N[C@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OC)ccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCP(O)(O)=O)Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OC)c3ccccc3n2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2cccnc2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCCC)ccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCCOC)ccn2)cc1
CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1
OC(=O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(C1=O)c23
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@@H](F)COP(O)(O)=O
CCCCCCCCCCCCCCCC(=O)OC[C@@H](F)COP(O)(O)=O
CCCCCCCC\C=C\CCCCCCCC(=O)O[C@H](COP(O)(O)=O)C(F)F
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CC(F)P(O)(O)=O
CCCCCCCCCCCCCCCC(=O)OC[C@H](F)COP(O)(O)=O
CCCCCCCC\C=C\CCCCCCCC(=O)O[C@H](COP(O)(O)=O)CC(F)F
CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)([O-])=O
CCCCCCCCCCCCCCCC(=O)O[C@H](COP(O)(O)=O)C(F)F
CCCCCCCCCCCCCCCC(=O)O[C@H](COP(O)(O)=O)CC(F)F
CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(F)P(O)(O)=O)OC
CCCCCCCCCCCCCCOP(O)(O)=O
CCCCCCCCCCCCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
CCCCCCCCCCCCCCP(O)(O)=O
CCCCCCCCCCCCCCOP(O)(O)=S
CCCCCCCCCCOP(O)(O)=O
CCCCCCCC\C=C\CCCCCCCCOP(O)(O)=S
CCCCCCCCCCP(O)(O)=O
CCCCC\C=C\CCCOP(O)(O)=O
CCCCCCCCCCOP(O)(O)=S
CCCCCCCCCCCCOP(O)(O)=S
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC
CC\C=C\CCCCCCCCCCOP(O)(O)=O
CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
CCCC\C=C\CCCCCCCCOP(O)(O)=S
CCCC\C=C\CCCCCCCCOP(O)(O)=O
OP(O)(=S)OCCCCCCCCC=C
CC\C=C\CCCCCCCCOP(O)(O)=O
CCCCCCCCCCCCP(O)(O)=O
CC\C=C\CCCCCCCCOP(O)(O)=S
CCCCCCCCCCCCCCC(F)(F)P(O)(O)=O
OP(O)(=O)OCCCCCCCCC=C
CCCCCCCCCCCCOP(O)(O)=O
CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)C(O)=O
CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC
CCCCCCCCOC[C@H](COP(O)(O)=O)OCCCCCCCC
CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC
CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=S)O2)cc1
CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=S)O1
C\C=C\C\C=C\C\C=C\CCCCCCCCC1OCC(COP(O)([O-])=O)O1
CCCCCCC\C=C\CCCCCCCC[C@H]1OC[C@@H](COP(O)([O-])=S)O1
CCCCCCC\C=C\CCCCCCCC[C@H]1OC[C@H](COP(O)([O-])=S)O1
CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@H](COP(O)([O-])=S)O1
CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@@H](COP(O)([O-])=S)O1
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1
CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)(F)P(O)(=O)O1
CCOC(=O)c1ccc(\C=C\c2ccc(cc2)S(O)(=O)=O)cc1
OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O
OC(=O)\C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
OC(=O)\C=C\C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)\C=C\C(O)=O)cc3)c2)cc1
CCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCC |r|
CCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCC |r|
NCC(=O)NC(CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NC(CCC(O)=O)C(O)=O
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(OCC(O)=O)cc1
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(CC(O)=O)cc1
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2C(O)=O)cc1
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1
Cc1ccc(Oc2ccc3C(=O)N(CC(O)=O)C(=O)c3c2)cc1
OC(=O)CN1C(=O)c2ccc(Oc3cccc(c3)[N+]([O-])=O)cc2C1=O
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(O)=O
C[C@@H](CN1CCN(CC1)c1ccccc1C)Nc1ncnc2c(C)csc12
C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
CC(OC(=O)Nc1c(C)noc1-c1ccccc1)c1ccccc1
C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
CC(OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccc(F)cc1
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1F |r|
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
CCOC(=O)C1(CC1)c1ccc(cc1)-c1ccc(cc1)-c1cnn(C)c1NC(=O)O[C@H](C)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
C[C@H](OC(=O)Nc1c(cnn1C)-c1ccccc1F)c1ccccc1Cl |r|
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccccc1F)c1ccccc1Cl |r|
CC(OC(=O)Nc1c(cnn1C)-c1ccc(F)cc1)c1ccccc1Cl
CC(OC(=O)Nc1c(cnn1C)-c1ccccc1)c1ccccc1Cl
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)-c1cnn(C)c1NC(=O)O[C@H](C)c1ccccc1 |r|
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccccc1)c1ccccc1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC |r|
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC
CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)([O-])=S
CCCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
CCCCCCCCCCCCCCCCCCOC[C@@H](COP(O)(O)=S)OC |r|
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1 |r|
CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1)\C=C\P(O)(O)=O |r|
CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
C[C@H](N1C2CCC1CC(C2)C(O)=O)c1ccc2ccc(O[C@H]3CC[C@H](CC3)C(F)(F)F)c(c2c1)C(F)(F)F |r,wU:21.22,24.29,1.0,(69.55,-51.11,;69.5,-49.57,;70.79,-48.72,;72.16,-49.41,;72.75,-48.34,;72.21,-47.11,;70.69,-47.18,;71.98,-46.34,;73.36,-47.03,;73.44,-48.57,;74.65,-46.19,;74.56,-44.65,;76.02,-46.88,;68.17,-48.8,;68.16,-47.25,;66.82,-46.49,;65.5,-47.27,;64.16,-46.5,;62.83,-47.27,;62.83,-48.82,;61.5,-49.59,;60.16,-48.82,;58.84,-49.58,;57.5,-48.8,;57.51,-47.26,;58.85,-46.5,;60.17,-47.27,;56.18,-46.48,;56.19,-44.94,;54.84,-47.25,;54.83,-45.71,;64.17,-49.59,;65.5,-48.81,;66.84,-49.58,;64.17,-51.13,;62.84,-51.9,;65.51,-51.9,;64.16,-52.66,)|
CC(OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC(O)=O)c2CCCc12)c1ccccc1Cl
CC(OC(=O)Nc1c(oc2cnccc12)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C([O-])=O)c1ccccc1
CC(OC(=O)Nc1c(oc2cnccc12)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C([O-])=O)c1ccccc1Cl