Compound Name

SMILES String

O=C(O)/C(S)=Cc1cccnc1

c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O

O=C1[C@@H](c2ccccc2)SCN1O

c1cc2cccnc2c(c1)O

c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]

Nc1ccc(O)c2ncccc12

O=C(O)c1cnc2c(O)cccc2c1

c1cc2c(ccnc2c(c1)O)C(=O)O

OC(=O)c1ccc2cccnc2c1O

c1cc2c(ccc(c2nc1)O)Cl

Oc1c(Cl)cc(Cl)c2cccnc12

c1cc2c(cc(c(c2nc1)O)I)Cl

Oc1c(Br)cc(Br)c2cccnc12

Cc1ccc2c(Cl)cc(Cl)c(O)c2n1

C1=CC(=S)N(C(=C1)C(=O)O)O

C(CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1

COc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1

COc1ccc(cc1)-n1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1

C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCc1ccc(NC(=O)CN(Cc2ccccn2)Cc2ccccn2)cc1 |r|

COc1cc(cc(OC)c1OC)-n1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1

[O-][N+](=O)c1ccc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1

COc1cc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc(OC)c1OC

COc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1[N+]([O-])=O

COc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1Br

COc1ccc(c(OC)c1)-n1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1

FC(F)(F)c1ccc(cc1)-n1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1

C(CC(CSC1CCCCC1)c1nnn[nH]1)Cc1ccccc1

CC(=O)SCC(CCc1ccccc1)P(O)(O)=O

CCOP(=O)(OCC)C(CCCCc1ccccc1)CSC(C)=O

CCOP(=O)(OCC)C(CCCc1ccccc1)CSC(C)=O

CCOP(=O)(OCC)C(CCc1ccccc1)CSC(C)=O

SCC(CCCc1ccccc1)c1nnn[nH]1

CCOP(=O)(OCC)C(CO)CCCCc1ccccc1

CCOP(=O)(OCC)C(CO)CCCc1ccccc1

CCOP(=O)(OCC)C(CO)CCc1ccccc1

OP(O)(=O)C(CS)CCCCc1ccccc1

OP(O)(=O)C(CS)CCCc1ccccc1

OP(O)(=O)C(CS)CCc1ccccc1

OC(=O)C(CS)CCCCc1ccccc1

CC(=O)SCC(Cc1ccccc1)c1nnn[nH]1

OCC(CCCCc1ccccc1)P(O)(O)=O

OCC(CCCc1ccccc1)P(O)(O)=O

CCOP(=O)(OCC)C(CS)CCc1ccccc1

CC(=O)SCC(CCCc1ccccc1)c1nnn[nH]1

OCC(CCc1ccccc1)P(O)(O)=O

CCOP(=O)(OCC)C(CS)CCCCc1ccccc1

CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC

CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O

CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O

NCc1nn[nH]c1CNS(=O)(=O)c1ccccc1

Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1COC(C)(C)C

Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC1CCCCC1

Cc1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|

Clc1ccc(Cl)c(c1)S(=O)(=O)NCc1[nH]nnc1CNC1CCCCC1

Clc1ccc(Cl)c(c1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:23:24:21.22.27:28,THB:23:22:28:29.24.25,25:24:21:27.26.28,25:26:21:29.23.24|

Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC1CCCCC1

Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|

Ic1ccc(cc1)S(=O)(=O)NCc1[nH]nnc1CNC(c1ccccc1)(c1ccccc1)c1ccccc1

COc1ccc(CSCc2nn[nH]c2CNS(=O)(=O)c2ccc(I)cc2)cc1

COCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1

CC(C)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1

CC(=O)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1