smiles
stringlengths 7
778
|
|---|
CSc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-]
|
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC)c([N+](=O)[O-])c3)c(C)c2)CC1
|
[N-]=[N+]=Nc1ccccc1C1OC(c2ccc(OCCCO)cc2)=NC1(Cc1ccccc1)C(=O)NNCc1ccc(C(F)(F)F)cc1
|
CC(Cl)C1CCN(c2nnc(C(F)(F)F)s2)CC1
|
CC1COC(CO)C[NH+]1Cc1cccc(N)c1Br
|
Nc1cccc(C=CC(=O)NC2COc3ccccc32)c1
|
COc1cc(C)nc(C)c1CN1CC[NH2+]CC1
|
c1c(CC[NH2+]C2CCC2)[nH+]c2n1CCCC2
|
CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nc2)cc1
|
CN(C(=O)c1ccc(OCc2cn3ccccc3[nH+]2)cc1)C1CCCCC1
|
CCC(=O)c1ccc(OC(=O)C=Cc2cccc(Cl)c2)cc1
|
CCCc1c(OCCCOc2ccc(OC(C(=O)[O-])c3ccccc3)cc2)cc(O)c(c2ccc(F)cc2)c1CC
|
CN(C)C(=[Te])N(C)C(=O)c1ccc([N+](=O)[O-])cc1
|
CCn1cc(Br)c(C(=O)NC2CCCCC2)n1
|
O=C([O-])C=Cc1cncn1Cc1ccccc1C(=O)[O-]
|
CN(CCc1ccccn1)C(=O)C1CC2CCC1[NH2+]2
|
COc1ccccc1OC(=O)NC1CC[NH+](Cc2ccccc2)CC1
|
CSC1CCCN(C(=O)C(C)(C)C)C1
|
CC([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(NC(N)=O)cc1
|
C[NH2+]CC(=O)NC1CCC2(CC1)OCCO2
|
[NH3+]Cc1c(C(F)F)cc(F)nc1[N+](=O)[O-]
|
CC(C)C1C=CC(=O)NCCC=CC(N(C)C(=O)C(NC(=O)NC(C(=O)[O-])C(C)C)C(C)C)C(=O)N1
|
O=C([O-])C1CCC1C(=O)NCCc1ccc(I)s1
|
CC1C(C=Cc2ccc(c3ccccc3C#N)cn2)C2(C)C(C)OC(=O)C2CC1(F)F
|
CC(C)CC(NC(=O)CNC(=O)C1CCCCN1C(=O)c1ccco1)C(=O)[O-]
|
CC#CCNS(=O)(=O)c1ccc(C#N)cc1Cl
|
O=C([O-])CCOc1ccc(C2CCCCC2)cc1
|
Cc1cc(I)c(O)c(C=Nc2ccc3oc(c4ccc(Cl)cc4)nc3c2)c1
|
COc1cc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc(OC)c1OC
|
COCCn1c2ccccc2nc1c1cc(O)ccc1O
|
O=C(Cc1ccccc1F)CN1C(=O)C2CCCC2C1=O
|
CCN(CC(NC(=O)c1ccc2cc(c3cc(N)nc4nc(C)[nH]c43)[nH]c2c1)C(=O)NC)c1ccccc1
|
CCOC(=O)c1sc(NC(=O)c2cc(C)on2)nc1c1ccccc1
|
Fc1c(Br)ccc(OC(F)F)c1CBr
|
CCc1sc2c(N)cccc2c1I
|
COc1ccc(Cc2nnc(SC(C)C(=O)Nc3cc(C)ccc3C)o2)cc1
|
CC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C(C)C)cc2)cc1
|
C#CC1=CC(=O)C(OC(SC)C(=O)NC(C)(CO)COC)=CC1=O
|
O=C(C=Cc1cnn(c2ccccc2)c1)NCCOc1ccc2ccccc2c1
|
Cc1cc(C)c(CNC(=O)Cc2c(C)nn(c3nc(C)cc(C)n3)c2C)c(C)c1
|
CC1=CC(C)=[N+]2C1=C(c1ccc([N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(O)c1ccccc1
|
CCC=C(CCO)CCCCC=CO
|
Cc1cc(C)c(N2CC[NH2+]CCN(c3c(C)cc(C)cc3C)C2)c(C)c1
|
CC(C)(C)OC(=O)NCCNC(=O)C[NH+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2cccc(n2)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
|
CCc1cccc(NC(=O)C(=O)Nc2cccc(C(C)O)c2)c1
|
COC(=O)C(C)C[NH2+]Cc1ccc(O)cc1
|
Cc1c(=O)n(C)c(Nc2ccc(I)cc2F)c2c(=O)n(C3CC3)c(=O)n(c3cc(Cl)cc(NS(C)(=O)=O)c3)c12
|
c1csc(c2ccc3c(c2)[nH]c2cc(c4cccs4)ccc23)c1
|
Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1
|
Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccccc4I)ccc3c2=O)c1
|
O=C(NCC1CC(O)C1)c1ccc(F)c(Br)c1
|
CCCCCCCOc1ccc(c2cnc(c3ccc(CC(NC(=O)OCc4ccccc4)C(=O)NC(C(=O)OC)C(O)c4ccccc4)cc3)nc2)cc1
|
CC(C)(C)[Si](C)(C)OC1=CC2CC1C1C3N=NC(C4C=CCC43)C21
|
CCOc1cc(C=Cc2cc(C(=O)[O-])c3cc(C)ccc3n2)ccc1O
|
O=C(c1c[nH+]c2ccc(F)cc2c1N1CCN(c2ccccc2)CC1)N1CCCCC1
|
COc1ccc(CCC(=O)NCCNc2ccc(n3cccc3)nn2)cc1
|
CC1(COC2=CC(C)(C)C3=C(C2)Cc2ccccc2C3)COC1
|
N#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCNC2=O)c1=O
|
CC(CC(=O)NCC1CCCc2ccccc21)C1CC[NH2+]CC1
|
c1ccc(n2c3ccc(c4ccc(c5cc6c7c(cccc7n5)-c5c-6cccc5c5ccc6c(c5)c5ccccc5n6c5ccc6c(c5)c5ccccc5n6c5ccc(c6cc7c8c(cccc8n6)-c6ccccc6-7)cc5)cc4)cc3c3cc(n4c5ccccc5c5ccccc54)ccc32)cc1
|
CC([NH2+]CC1Cc2ccccc21)C(=O)NC1CCCC1
|
C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCC(=O)N3CCOc4ccccc43)cc21
|
CCCc1cc(NS(=O)(=O)c2ccc(OC)c(C)c2)n[nH]1
|
C#CCSCCNC(=O)c1c[nH]c(C)cc1=O
|
CCCCCCCCOc1ccccc1C1OC(CO)C(O)C(O)C1O
|
CN(c1ccccc1)c1ccn(C)c(=O)c1N
|
COc1ccc2c(c1)oc(c1ccccc1)c2c1ccc(OCC[NH+]2CCCC2)cc1
|
Cc1c(CCO)cccc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1
|
CCCCCCCC(=O)NC[NH2+]CCCCCCCCCO
|
Cc1cn2c3ccccc3cc2c(c2ccccc2)n1
|
[NH3+]Cc1ccccc1C(=O)NCCCCn1ccnc1
|
Fc1ccccc1OCc1nnc(SCc2ccc(n3cccn3)cc2)n1c1ccccc1
|
CC(C)N(C(=O)Cc1cccc(C(F)(F)F)c1)C1CCCC1
|
c1ccc2c(c1)cccc2c1c2ccccc2c(c2ccc(c3ccc4oc5cc6c(ccc7c8ccccc8oc67)cc5c4c3)c3ccccc32)c2ccccc21
|
Cc1cc(C(C)(O)CNC(=O)NCc2cscn2)c(C)o1
|
Cc1ccc(C=CC(=O)Nc2ccc3nncn3c2)cc1
|
COC1C[NH2+]C(C(=O)Nc2ccc(OCC#N)cc2)C1
|
COC(=O)C1CSCC(c2ccoc2)[NH2+]1
|
CON=C(C(=O)OC)c1c(C)cccc1Oc1cnn(C)c1C
|
C[NH+]1CCC(CNS(=O)(=O)c2cccc3c2CCCN3)C1
|
C[NH2+]C1CCCCCC1Cc1ccn(C(C)C)n1
|
COc1c(C)cc(CN(C)C(=O)CCC2CC[NH2+]CC2)cc1C
|
CCc1nn(C)cc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1
|
CCc1nc(N2CCC(O)(CCOC)C(C)C2)ncc1C
|
CC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2
|
CC(C)(C)c1ccc(Oc2ccc3cnc(C(=O)NC(Cc4ccc(Oc5ccc(NC(=O)CCC(=O)[O-])cc5)cc4)C(=O)[O-])cc3c2)cc1
|
FC(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)F
|
CC(NC(=O)C1Cc2nc[nH]c2C[NH2+]1)c1cccs1
|
CSCCC([NH3+])C(=O)Nc1ccn(Cc2ccncc2)n1
|
COc1cc(O)cc(CCl)c1
|
CC(C)OC(=O)N1CCC(c2nc3cc(c4ccc(CN=O)c(Cl)c4)ccc3o2)CC1
|
COc1cc(OC)c2ccn(CC(=O)Nc3nnc(C(C)C)s3)c2c1
|
Cc1cnc(C(=O)NCc2cncc(c3ccc4c(c3)CCC(=O)N4C)c2)cn1
|
CCc1ncc(C(=O)Nc2ccc3ccccc3c2)c(N)n1
|
COc1cc(Cl)cc(C=O)c1OCc1nc(C)cs1
|
Cc1ccoc1c1noc(C2CC[NH2+]C2C)n1
|
COc1ccc2ccccc2c1C=Nc1ccc(Cl)cc1Cl
|
Cc1ccc(C([O-])=C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)C2c2ccco2)cc1
|
COC(=O)CC(C)c1ccc(N(CC(C)C)C2CCC(OC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1
|
O=CC(CC(=O)[O-])NS(=O)(=O)c1ccccc1OCCc1cccc2ccccc12
|
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