Compound Name

SMILES String

ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)NCC(=O)N1CCNCC1

ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCNCC1

ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1 |r|

NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](Cc2ccc(cc2)-c2ccccc2C(F)(F)F)C(=O)N1)C(=O)NO

C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|

ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl

COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO

Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1C(=O)NO

ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccccc1

COc1ccc(cc1)S(=O)(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NO

ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl

COc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1C(=O)NO

Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NO

ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1ccccc1

COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(cc3[C@@H]2C(=O)NO)OC)O

Nc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1C(=O)NO

CCC(CC(O)=O)C(=O)c1ccc(cc1)C#Cc1ccccc1

Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1

Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1

Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1

ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)cc1 |r|

CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NO |r|

C[C@H]1C[C@](CC(=O)NO)(C[C@@H](C)N1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 |r|

CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C

ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r|

Cc1cc(cc(n1)C(=O)NCc1ccc(F)cc1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:26.31,wD:23.24,(30.11,-12.24,;29.32,-10.92,;30.07,-9.57,;29.28,-8.26,;27.74,-8.27,;26.98,-9.62,;27.77,-10.94,;25.44,-9.64,;24.69,-10.98,;24.66,-8.31,;23.12,-8.33,;22.33,-7.01,;23.08,-5.67,;22.3,-4.34,;20.75,-4.36,;19.97,-3.04,;20,-5.72,;20.79,-7.03,;30.03,-6.91,;29.39,-5.51,;30.52,-4.46,;31.87,-5.21,;33.27,-4.57,;34.61,-5.32,;34.63,-6.85,;35.98,-7.6,;37.3,-6.81,;37.27,-5.26,;35.93,-4.52,;38.65,-7.56,;38.68,-9.1,;39.97,-6.77,;31.57,-6.73,)|

C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|

CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO

CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2

Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1 |r|