smiles
stringlengths 7
778
|
|---|
CCOC(=O)c1ccc(C[NH+]2CCN(C)CC2)c(N)c1
|
C=CCC(CC=C)C(=O)N(C)C1CC[NH2+]CC1
|
CCCCC(=O)OC(=O)c1cc2occc2[nH]1
|
Cc1ccc(CNc2c(C)cc(Cl)nc2Cl)c(C)c1
|
CCC(C)(C)N(C)C(=O)c1cc(OC)cc(OC)c1N
|
CCCCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br
|
CC(=O)C(S)(C(=O)[O-])N1C(=O)CCC1=O
|
O=C([O-])c1sccc1COc1ccc(Br)cc1[N+](=O)[O-]
|
Cc1nccn1Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)cc1
|
COC(C)(C)CC(C)[NH2+]CC(C)CCO
|
CCC[NH2+]C(CCC1CCCO1)c1ccccc1
|
C[NH+]1CCCC(CCN[O-])C1
|
Cc1ccc(c2csc(C([NH3+])C(C)(C)C)n2)cc1
|
CC(CCc1ccc(O)cc1)[NH2+]CCCCC(O)CO
|
CCCn1ncnc1CC([NH3+])c1ccc(C)cc1OC
|
COC(=O)Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O
|
COc1ccc(CC(=O)Oc2ccc3c(=O)c(c4ccccc4OC)c(C)oc3c2)cc1
|
CCCCNc1ccccc1N(CCCC)N=O
|
C[N+](C)(Sc1ccccc1)C(=O)Oc1cccc2c1OCC2
|
CCN(c1ccc(CC(N)=[NH2+])cc1)S(C)(=O)=O
|
CC[NH+]1CCC2(CC1)CC(=O)c1cc(c3ccc(C(=O)NCc4cc(C)no4)cn3)ccc1O2
|
Cc1ccc2nc(C3(C(=O)[O-])CCC3)[nH]c2c1
|
CNC(=O)NC(=O)COc1cc(OC)ccc1C(=O)[O-]
|
CCOC(C)C(=O)CCC(C)(C)C
|
CSc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1
|
O=C1OC(C(O)COC(=O)C2CCC[NH2+]C2)C(OCc2ccccc2)=C1OCc1ccccc1
|
COC(=O)Cn1cc(c2cccc(OC(C)=O)c2)c(=O)c(c2ccccc2S(=O)CCCCCCCC#N)c1
|
CCNC(NCCc1ccc(Cl)nc1)=[NH+]CC1(C)CCCS1
|
CCCOC1CCCN(C(=O)Nc2cnn(CC(C)C)c2)CC1
|
CC1COCCC(=O)N1CC1CC[NH2+]C1
|
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1C(NC(=O)c1ccccc1)C(C)C
|
Cc1cc2n(n1)C(c1cn(c3ccccc3)nc1C)Nc1c(C)cccc1-2
|
CCOC(=O)c1ccc(NCC([NH3+])C(C)O)nc1
|
[NH3+]C(Cc1c(F)cccc1F)c1cccc2ccccc12
|
CCCOc1ccc(N=CC(C(=O)OC)C(=O)OC)cc1C1=[NH+]C(=O)C2=NN=NC2=[NH+]1
|
[NH3+]CC1CCCN1CCc1ccc(F)cc1
|
CC(C)N(Cc1cccnc1)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1
|
Cc1cccc(NC(=O)C[NH+](C)CC2C[NH2+]CCO2)c1
|
CCN=C1CCCOc2cc(OC)c(CC[NH+]3CCC(n4ccc5ccc(C(N)=O)cc54)CC3)cc21
|
COc1ccc(Br)c(C(=O)NCCCNc2ccc(C#N)cc2)c1
|
CCCC[Si](C)(C)O[Si](C)(C)CCCCCOCCOC
|
CCCCCCCC([NH3+])c1cccnc1OC
|
[O-][n+]1c2ccccc2n(O)c1c1c(Cl)cccc1Cl
|
Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C)cc3)c(C)c2)cc1
|
CC(CC1CC1)Nc1cccc(C(=O)N2CCCC(CO)C2)c1
|
CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)OCC)c1
|
CC[NH2+]Cc1cc(Oc2nc3cc(Cl)ccc3s2)c2cc(Cl)ccc2c1
|
COC1C(O)C(OOP([O-])CO)OC1n1ccc(N)nc1=O
|
CCCNC(=O)CCP(=O)([O-])CC(CCC(=O)[O-])C(=O)[O-]
|
CC(=O)N1CCN(C(=O)C2(CO)CC2)CC1
|
Cc1cccc(N(C)S(=O)(=O)c2c(C(=O)NCc3ccco3)scc2c2ccccc2)c1
|
CC(C)[NH2+]Cc1nnc(NC(C)(C)CC(N)=O)o1
|
CCCCCC(C)C(C)Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1
|
CC(=O)N1CCCC(c2cc(C(F)(F)F)nc3nccn23)C1
|
C=C(C)COc1ccc(CO)cc1Br
|
CCN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)Nc1ccccc1C)c1ccc(C)cc1
|
COC(=O)c1ccc2c(cnn2CC2=CCC(Cl)=CCC=C2OCC2CC2)c1
|
CN(C(=O)C1(C)CCCO1)c1ccc(C(N)=[NH+]O)cc1
|
C#CCC[NH+](C)C1CC(C)OC(OC2C(C)C(C3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NO)C(C)CC2(C)O)C1O
|
CC(=O)Nc1nc(C(=O)NCC(C)CO)cs1
|
C[NH2+]CC1CN(c2c(Cl)cnc(N)c2[N+](=O)[O-])CCO1
|
O=C(Nc1ccc(O)cc1F)C1=C[NH2+]C2CCCCC(=O)C12
|
c1cc(c2nnc3n2CCCC3)cc2c1CCN2
|
CC1CC(NC(=O)c2ccc(c3noc(C(F)(F)F)n3)cc2)C(=O)N1
|
CCOc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1cccc(Cl)c1
|
CCC1(C)[NH2+]C(c2ccc(C)s2)N(CC2CCCO2)C1=O
|
CC(=O)c1cccc(S(=O)(=O)NCC2CC(=O)N(C(C)C)C2)c1
|
CC1(C)OCC([N+](=O)[O-])([N+]([O-])=NCCN=[N+]([O-])C2([N+](=O)[O-])COC(C)(C)OC2)CO1
|
CC(C)N(Cc1cc(Cl)cc(Cl)c1O)CC(F)(F)F
|
CCc1cccc(OCCC(=O)N(C)C)c1
|
CC1(c2nc(Cl)c(Br)c(Cl)n2)CCCS1
|
SCCCCCCCCCN1CCCOc2ccccc21
|
CCC(C#N)Nc1ccc(C#N)cc1Br
|
N#Cc1cc(C#N)cc(Oc2c(Br)ccc(Cc3[nH]nc4cnccc34)c2F)c1
|
CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1CCC1)c1cccc(F)c1
|
CC[NH+]1CCc2[nH]c(=O)c(C(C)(C)[NH3+])cc2C1
|
CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCCl)cc1
|
CCOc1cc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC
|
CC([NH3+])C(C)c1nc(C2COc3ccccc3C2)no1
|
[NH3+]C1(C(=O)OC2COC2)CCCCCC1
|
CCN(CC(C)C[NH3+])c1nccn2nc(C(C)C)cc12
|
CC(CN(CCCC(=O)[O-])c1ccccc1F)C(=O)[O-]
|
CCCc1cc2cc(N)ccc2o1
|
CCCNC(=O)N1CCC([NH2+]CCCCC(O)COc2ccccc2)CC1
|
Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2Cl)C(Cc2ccccc2)C(=O)NCC(C)C)c2ccccc2)cc1
|
CC(C)(C)c1cc(CC(=O)C(C)(C)S(=O)(=O)C2(C)CCOCC2)no1
|
Cc1nc(N)sc1SC1CCCCNC1=O
|
Cc1cc(C)c(NC(=O)C(C)OC(=O)c2ccc(n3cccc3)cc2)c(C)c1
|
CC(C)CC(CNC(=O)c1ccc(Cl)cn1)C(=O)[O-]
|
CCN(CC(=O)NC(C)C)C(=O)C(C)Sc1ccc([N+](=O)[O-])cc1
|
CCN(CC)c1ccc(C2c3sc(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)c3SC3C(=O)N(c4ccc(OC)cc4)C(=O)C32)cc1
|
Cc1ccccc1C(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2
|
C=C(C)C(=O)OC1OCCCSC1(C)C
|
Cc1cc(C(C)C)nc(NC2(CO)CCC2)n1
|
Cc1cc(C)c(C(O)CC[NH+]2CCCC2)c(C)c1
|
NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NC(=O)c2ccon2)c1
|
CN(c1ccccc1)c1ccccc1NCc1cc(=O)n2cc(Cl)ccc2n1
|
CCOCCC[NH2+]CC(C)Oc1cccc(F)c1F
|
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(OC(C(=O)[O-])c2ccccc2)cc1
|
O=C(NCC1C[NH2+]C1)C1CSC2(c3ccc(F)cc3)CCC(=O)N12
|
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