smiles
stringlengths 7
778
|
|---|
O=C(CSc1ccccc1)N1CCC2(CC1)SCCN2C(=O)c1ccc(Br)cc1
|
CN=Cc1ccc(OCCC(=O)CCC(=O)NCCCCCNC(=O)c2ccc(CO)cc2)cc1OC
|
CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)c(=O)oc12
|
CCC(=O)C(=[N+]=[N-])c1ccccc1S(C)(=O)=O
|
[NH3+]CCCCCC([NH3+])(CC(O)c1ccc(O)c(O)c1)CC(O)c1ccc(O)c(O)c1
|
COc1cccn2cc(CC3CCOCC3)[nH+]c12
|
C=CCOC(=O)NC(C(=O)NC1C(=O)N2C(OC(=O)OC(c3ccccc3)c3ccccc3)=C(Cl)CSC12)c1ccccc1
|
COc1ccc(COCC2OC(SC)C(N=[N+]=[N-])C(OCc3ccc(OC)cc3)C2OCc2ccc(OC)cc2)cc1
|
O=C(Oc1ccc2ccncc2c1)c1ccc(NC(=O)c2ccco2)cc1
|
Nc1nccc(c2cc(NCCCc3ccccc3F)c3c(N)n[nH]c3c2)n1
|
CCc1cc(C[NH+](C)C(CO)CCO)ccc1OC
|
CC(C)(CC(N)=O)NC(=O)c1sc2cccc(Br)c2c1N
|
O=C(CC(F)(F)F)N1CCOCC2(CC2)C1
|
CCC(CO)Nc1nc(c2ccco2)cn2ccnc12
|
Cc1cccc(N2CCN(C(=O)c3cc(C)cc(Br)c3O)CC2)c1
|
N#Cc1ccccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
|
Cc1ccc(Nc2nc3ccccn3c2C(=O)[O-])c(C)c1
|
Cc1cc(N)ccc1S(=O)(=O)CC(=O)N1CCOCC1
|
COc1ccc(C(Br)=C2C(c3ccc(OC)cc3)=C(Br)c3ccccc32)cc1
|
COc1ccc(OCCCCc2c(C)n[nH]c2C)cc1
|
COc1cc(COc2ccc(CC=O)cc2)cc(C)n1
|
O=C1C2Oc3c(O)ccc4c3C23CC[NH+](C2CC2)C(C4)C3CC1(c1ccccc1)c1ccccc1
|
CCC1CCCC[NH+]1Cc1nc(NCCOC)c2cccc(C)c2n1
|
Nc1nccc2occ(Br)c12
|
C[NH2+]C(C)c1cccc(F)c1Oc1ccc(Br)cc1F
|
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(F)cc2)c1
|
CC[NH2+]C(C)c1csc(N2CCCC(CC)CC2)n1
|
CN(CC(=O)NNc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1
|
O=C(C=Cc1ccccc1)N(O)CCc1ccc(O)cc1
|
CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2cccc3ccccc23)CC1
|
N#Cc1ccsc1NC(=O)C=CC(=O)N1CCCC1
|
CCC1C[NH2+]CCC12CCOCC2C
|
CCc1coc2cc(=O)c([O-])cc-2c1O
|
O=[P+](OC(Cc1ccccc1)c1ccccc1)OC(Cc1ccccc1)c1ccccc1
|
Cc1cc(OCC(O)O)cc(C)c1C(=O)CBr
|
C[NH+]=C(NCC(=O)Nc1ccccc1)NCC(C)Oc1cccc(C)c1
|
CC1(C)C2=C(C=CC(c3cc4c(cc(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc45)c4c3CCC(C3=CC=C5C(C3)c3ccccc3C5(C)C)=C4)C2)c2ccccc21
|
CCC[NH2+]C(c1csc(C)c1)C1(C)CCCS1
|
C[NH+]1CCC(COc2ncccc2CNC(=O)C2CCC(=O)NC2)CC1
|
COC(=O)NC(Cc1ccccc1)C(CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1)NC(=O)OC(C)(C)C
|
C=C(C)C(C)=Cn1c2ccccc2c2ccccc21
|
CC1CC(CCNC(=O)N2CCC([NH+]3CCOCC3)C2)CCO1
|
O=C(OCCN1CCS(=O)(=O)CC1)c1c2ccccc2cc2ccccc12
|
Cn1c(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4ccccc4NC(=O)n4c(=O)[nH]c5ccccc54)C3SC2)n[nH]c(=O)c1=O
|
COc1ccccc1N1CC[NH+](CC(O)COC23CC4CC(CC(C4)C2)C3)CC1
|
N#Cc1c(CCCNC(=O)Cc2csc(N3CCNC3=O)n2)nn(c2ccccc2)c1N
|
COc1ccccc1Oc1ccnc(c2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)n1
|
Cc1nsc(n2cnc(CO)c2)n1
|
Cc1ccc(C(=O)N2CCCC(c3ccn(C)n3)C2)cc1C
|
CC(C)CCC(=O)NCC1(CBr)CCCC1
|
Cc1cc2nncn2c2c(C)cccc12
|
COC(=O)CC(=O)c1ccc2[nH]c(=O)oc2c1
|
CC(C)(C)CC(CNC(=O)CC(F)(F)F)C(=O)[O-]
|
CCCCn1ncc(c2ccccc2)c(C(C)=O)c1=O
|
CCOP(=O)(OCC)Oc1ccccc1C1N(C)CC[NH+]1C
|
NC(=O)C1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1
|
COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1
|
COc1c(C)cc(c2cc(N)cc(=O)[nH]2)cc1C
|
CC1CC(C)C(C[NH+]2CC(C)SC(C)C2)C([NH3+])C1
|
Cn1cccc1C(=O)N1CCCC1c1nc(CCOCC2CCOCC2)no1
|
COC(=O)C1=COC(C)C2CN(C(=O)OCc3ccccc3)CCC12
|
O=c1ccn(Cc2nc(CCl)cs2)c2ccccc12
|
C=NN(Cc1cccc(Cl)c1)C(N)=N[N+](=O)[O-]
|
C=CCC1(C=C[N+](=O)[O-])CCCOC1=O
|
C[NH+]=C(NCc1ccc(C)cc1SC)NCC(C)c1c(C)noc1C
|
C=C1CC1C(=C)O[Si](C)(C)C
|
COc1ccc(c2ccccc2)c2sc(NC(=O)N(C)Cc3cccnc3)nc12
|
COc1ccc(CCC(=O)CCCBr)cc1Br
|
CB(C)c1ccc(Br)cc1
|
COCC(=O)Nc1nnc(C2CCC[NH2+]2)o1
|
Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)CSc2cccc(NC(=O)C(=Cc3ccsc3)NC(=O)c3ccccc3)c2)c1C#N
|
Cc1c(N)cccc1NC(=O)c1ccc2c(c1)OCCO2
|
CCN(C(=O)N(C)CC[NH+]1CCCC1)C(C)C
|
CC(C)[NH+](C)CCCNC(=O)COC1(C)C[NH2+]C1
|
Cc1cnc2c(c1)nc(C(C)Cl)n2Cc1ncon1
|
CN1CC[NH+](Cc2ccc(N(c3nc4cccc(c5cccc(S(C)(=O)=O)c5)n4n3)N(c3ccc(C[NH+]4CCN(C)CC4)cc3)c3nc4cccc(c5cccc(S(C)(=O)=O)c5)n4n3)cc2)CC1
|
Cc1ncc(C[NH+]2CCC3(CC[NH+](C)C3)C2)s1
|
OC(CC1Cc2ccccc21)C1CSCCS1
|
CC[NH+](CC(=O)NC(C)C)CC(=O)NC1CC1
|
COc1cccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(F)cc2)c1
|
CSCc1ccc(C[NH2+]C(C)c2nnc3ccccn23)o1
|
CCC1(n2c(CO)n[nH]c2=S)CCC1
|
CSc1ncccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1
|
COCc1cccc(C[NH2+]CC2CCC(C)O2)c1
|
NCC(CCCCNC(=O)C(CCCNC(=O)C1(O)CC(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1)NC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1)[NH2+]CCCC=O
|
O=C(NN=Cc1ccncc1)c1cccc(I)c1
|
CC(C)C(NS(=O)(=O)c1ccc(C#CCO)cc1)C(N)=O
|
COc1ccc(n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CC(O)(O)C(O)(O)C(O)(O)C4=O)cc2)C(O)(O)C3(O)O)cc1
|
CCOCCn1c(O)c(N=Nc2ncc(Cl)cc2Cl)c2ccccc21
|
Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)C1CC(=O)c3ccccc31)C2
|
Cc1nnc(CS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)o1
|
COC(=O)CCN(Cc1ccccn1)C(=O)CCC(=O)c1ccc(Cl)cc1
|
OC1=CC2(O)C=Cc3c4c(ccc3=C2C=C1)=CC=C4
|
COc1cc(C)c(S(=O)(=O)Cl)cc1C
|
Cc1ccc(Cl)cc1C(=O)NCC(C)[NH3+]
|
CCC1CC[NH2+]C(C(=O)NCc2cccnc2)C1
|
O=C(CSc1nc(=O)ccn1C1CC1)Nc1ccccc1[N+](=O)[O-]
|
Cc1c(C#N)ccc(NC(=O)N2CCC(O)C2(C)CO)c1C
|
COCCN(CCOC)C(=O)CSc1nc2ccccc2c(=O)n1CC(=O)OC
|
CCCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl
|
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