smiles
stringlengths 7
778
|
|---|
Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NC2CCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1
|
C(#Cc1cc2ccccc2[nH]1)C=Cc1ccccc1
|
CCCOc1c(OC)cc(C=NNC(=O)c2sc(N)nc2C)cc1OC
|
COc1ccc2c(C[NH3+])onc2n1
|
COC(=O)C=Cc1ccc(OC(=O)Cc2cccs2)c(OC)c1
|
O=C(CC1CCCCC1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
|
COc1ccc(C(Br)C2CC2(C)C)c(Br)c1
|
CCC1(C)CN(C(C2CC2)C2CC2)CCC[NH2+]1
|
COc1ccc(OCCCC(=O)OCc2nnc(c3cc(OC)c(OC)c(OC)c3)o2)cc1
|
COC(=O)c1cccc(Cn2cnc3sc(C(=O)Nc4ccccc4OC)c(C)c3c2=O)c1
|
C[NH+](C)CCC[NH2+]C1CC(C2CC2)NC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)N1
|
O=C([O-])C1=C(C(=O)[O-])SC(C2SC(C(=O)[O-])=C(C(=O)[O-])S2)S1
|
CC(NC(=O)c1cccnc1Cl)c1cccc([N+](=O)[O-])c1
|
Nc1cc(I)cc(C(=O)NCC(O)C2CC2)c1
|
COc1cc(C#N)ccc1CNc1cc(C)ccn1
|
Cc1cc(C)n2c(c1)nc(C)c2c1cccc(Br)c1
|
[C-]#[N+]c1ccc(c2nc3c(nc2c2ccc([N+]#[C-])cc2)N(c2cccc4ccccc24)c2nc4cc(c5ccc(C#N)cc5)c(c5ccc(C#N)cc5)cc4nc2N3c2cccc3ccccc23)cc1
|
CCCC(C)C(Cc1ccccc1Br)C(=O)[O-]
|
CCc1nnc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)[O-])o1
|
C=CC[NH+]1CCC2(c3cccc(O)c3)CC(NC(=O)C=Cc3cc(Br)cs3)CCC2C1
|
CCCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C)C2c2ccc(OC)c(OC)c2)c1
|
O=C(Cc1cccs1)N1CCCC1c1noc(C2CC2)n1
|
C=CC(=O)N(C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(C(F)F)cc3)n2)ccc1F
|
O=C(NCC1(O)CCC1)c1ccc([N+](=O)[O-])c(F)c1
|
Cc1nn(C)c2ncc(S(=O)(=O)N3CCn4cnnc4C3C)cc12
|
COC(=O)Oc1cc(Cl)c(F)c(N=C=O)c1
|
CCOC(=O)c1c(c2ccc(Cl)cc2)c(C)n2c(=O)c(C(=O)NS(=O)(=O)Nc3ccccc3)c(N)[nH]c12
|
Cc1c(NC(=O)c2cc3ccccc3o2)cccc1c1nc2cccnc2s1
|
Cc1c(CF)cc(c2ccccc2)n(Cc2cccs2)c1=O
|
CS(=O)(=O)Nc1sc(N)c(C(N)=O)c1c1ccccc1
|
CC1(C)CCC(CNC(=O)N2CC3CCC([NH3+])C3C2)c2ccccc21
|
O=C1OC(c2cccc(F)c2)=NC1=Cc1ccccc1OCCc1ccccc1
|
COc1c(C=C(C(=O)c2ccc(N)c(N(C)C)c2)C(C)C)ccc2c1OCO2
|
N#CC1(Br)CC1c1ccccc1
|
Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1
|
CNC(=O)c1ccc(C[NH+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1
|
CC1CCC2(CC1)NC(=O)N(NC(=O)c1cc(c3cccnc3)nc3c1cnn3Cc1ccco1)C2=O
|
COc1cc(Br)c(C(=O)CC2(OC)CCC2)cc1OC
|
COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1ccoc1
|
CCOc1cccn2c(C(=O)NC3CCC[NH+](Cc4ccccc4C(=O)[O-])C3)c(C)nc12
|
OC(c1ccn(CC2CCOc3ccccc32)c1)C1CC1
|
Cc1ccc(C(=O)NCCNC(=O)C[NH2+]C2CC2)cc1
|
Cc1ncc(CNC(=O)Nc2ccccc2Cl)s1
|
CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
|
CC1CC1C(=O)Nc1ncc[nH]1
|
CCOc1ccc(CC(=O)N2CC(c3nc(c4ccco4)no3)C2)cc1
|
Nc1cccc(Br)c1OCCCn1ccnc1
|
CC1CCCC(N(C)C(=O)c2cnc(Cl)c(Cl)c2)C1
|
Cc1cc(OCc2ccc(Br)c([N+](=O)[O-])c2)cc(C)c1Cl
|
CC(NC(=O)CSc1nccn1c1cccc(Cl)c1)c1ccc(F)cc1
|
Nc1cc2c(cc1C(=O)NCCc1cscn1)OCO2
|
CCCCP(CCCC)Cc1ccc2cc(CP(CCCC)CCCC)ccc2c1
|
COC1COCCC1[NH2+]C1CC2CN(C(=O)OCC[NH+](C)C)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
|
O=C(CCNC(=O)C1CCCC1)Nc1sccc1C(=O)[O-]
|
CS(=O)(=O)c1cccc(C(Br)Cc2[nH]cc[nH+]2)c1
|
OCCC1CCSc2ccccc21
|
CN(CCOc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
|
O=C(OCc1csc(c2ccsc2)n1)c1ccccc1N1CCCC1=O
|
CC(C)CC1CCCC([NH3+])(CCc2ccccc2)C1
|
Nc1cc[nH+]c(C(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)c1
|
CCC(C)(OC)c1nc(=S)cc(C(C)C)[nH]1
|
CSCCC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1nc2ccccc2[nH]1
|
Nc1nnc(S(=O)(=O)CC(F)F)s1
|
Cc1nccn1c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)nn1
|
CCC1CCCN1C(C[NH3+])C(C)NC(=O)OC(C)(C)C
|
[NH3+]CC1CCN(C(=O)Cc2cccc(I)c2)C1
|
CCCN1C(=O)Cc2ccccc2C1C(=O)NCc1ccccc1Br
|
CCC(=O)Nc1ccc(C(C)NC(=O)CN2C(=O)C3CCCCC3C2=O)cc1
|
CC[NH2+]C(c1sccc1Cl)C1CCOCC1
|
Cc1ccc(C(C)N(C)C(=O)c2cc(C3CC3)[nH]n2)cc1
|
CCOC1(C([NH3+])c2sccc2Cl)CCCCC1
|
O=C(Nc1cc(OC2CCCCC2)ccc1C(=O)[O-])c1ccccc1
|
CCN(CC(C)(C)O)c1ccc(N)c(OCC(C)C)n1
|
CC(C)(C)OC(=O)NNCCCC([NH3+])C(=O)[N-]C(=O)OCC1c2ccccc2-c2ccccc21
|
CCN(C)C(=O)NC1CCCC1O
|
Cc1cc(CCl)cc(N(C)C(C)c2cccc(Cl)c2)n1
|
Nc1ccc(C(=O)OCC(=O)[O-])nc1
|
COC(=O)c1ccc(NC(=O)c2c(C)n(c3ccccc3)c(=O)c3ccc(Br)cc23)c(F)c1
|
CCC1(OC(O)CC(C)C)CCCCC1
|
Cc1nc(NCC(C)(F)F)ccc1I
|
O=C([O-])C(=O)C(c1ccccc1)C1CCCCCC1
|
c1cc2c(cc1C(CN1CC[NH2+]CC1)[NH+]1CCOCC1)CCC2
|
CCC(=O)NCc1cncc(c2cc3c(cc2F)N(C)C(=O)CC3)c1
|
COc1ccc(S(=O)(=O)NCC2COc3ccccc3O2)cc1C
|
CCC(C)C(NS(=O)(=O)CC(=O)OC)C(=O)[O-]
|
CCCC(=O)C(Br)Cc1ccc(Cl)c(OC)c1
|
CCOc1cccc2sc(OC)c(I)c12
|
COc1cccc2c(C)cc(N3CCCCC3)nc12
|
CCCCC=CCCCCCCCCCCCC1=[NH+]C=C[N+]1(CCN)CC(=O)[O-]
|
CC(C)n1ncnc1CC1(c2cccc(Cl)c2)C[NH2+]C1
|
CC[NH2+]C(Cc1cccnc1)C1COCCO1
|
COc1ccc(C[NH+]2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c(C)c1C
|
COc1ccc(C2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)cc1
|
Cc1cc(C)nc(Sc2cccc(Cl)n2)c1
|
CCOc1cc(C=NNc2nc(=O)cc(C(C)C)[nH]2)cc(Cl)c1OC(C)C
|
O=C(C[NH+]1CCOCC1)N1CCC(c2ccn3nccc3n2)CC1
|
COc1ccc(c2n[nH]c(=S)n2CC(=O)Nc2cccc(Cl)c2C)cc1
|
CC(C)(C)NC(=O)C[NH+](CC=Cc1ccccc1)CC1CCCO1
|
COc1cc(C(=O)N2CCN(c3nc(C)c4ccc(=O)n(c5ccc(C(=O)NC6CC6)cc5)c4n3)CC2)cc(OC)c1OC
|
O=NN1N=C(c2ccc(Cl)cc2)CC1c1ccccc1
|
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