smiles
stringlengths 7
778
|
|---|
CCc1ccsc1CNC(=O)c1cc(C)c(C#CCO)s1
|
CC[NH+](CCOC)Cc1ccc(C[NH2+]C2CC2)cn1
|
O=C1CC2(CCN(C(=O)C3CCC3)C2)Oc2ccccc21
|
Cc1noc(CC[NH2+]C2CCCCC2C2CCCC[NH2+]2)n1
|
CC(C)(C)C(Cn1ccnc1)NC(=O)Nc1ccccc1N1CCOC1=O
|
O=C([O-])C12CCCC1C[NH+](Cc1csc(c3ccc(C(F)(F)F)cc3)n1)C2
|
Cc1sc(c2ccnc(C(C)(C)C)c2)cc1Br
|
[NH3+]C1(c2ccc(c3nc4c5cc(F)ccc5nn4c(NC4CC4)c3c3ccccc3)cc2)CCC1
|
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1
|
CC1COC2(CCN(C(=O)c3cncc(Br)c3)CC2)O1
|
Cc1cc(CO)cc(S(=O)(=O)N(C)CC2CC2)c1Br
|
COc1cccc(NC(=O)CNC(=O)c2ccc(Br)o2)c1
|
CCOC(=O)C(C(=O)C=Cc1ccccc1)C(c1ccccc1)C(C(=O)OCC)C(=O)OCC
|
O=C1c2c(ccn(Cc3ccccc3)c2=O)-n2cccc21
|
CC(C)c1ncc(OCCC(F)(F)F)c(CCl)n1
|
Cc1ccc(C(=O)N(c2ccc3cc(NC(=O)C4CC4)ncc3c2)C2(CO)CCC2)cc1
|
COc1ccc(Cl)c(=O)[nH]1
|
NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)CC2)ccc1Cl
|
CCC(C)CS(=O)CC(N)c1ccc2ccccc2c1
|
Cc1nn(C)c(C)c1CNC(=O)c1ccc(COc2ccc(F)cc2)cc1
|
CCC1(C)CC2(CCO1)C[NH+]=C(N)N2c1cccc(C)c1
|
CCNC(=O)Nc1cc(c2nc(C(F)(F)F)cs2)c(c2cc(C(=O)NN)cnc2OCC2CC2)cn1
|
C[NH+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)NCC1(c2ccccc2)CC1
|
CCn1cc(OC(=O)NC2CCc3ccc(F)cc32)c2cc(OC)c(OC)cc2c1=O
|
c1ccc(C[NH+]2CCCN(c3nc4nonc4nc3N3CCCC3)CC2)nc1
|
CC(OC(=O)c1ccccc1S(C)(=O)=O)C(=O)Nc1ccccc1C(F)(F)F
|
COC(=O)c1sc(NC(=S)N(CC(C)C)CC(C)C)c(C(=O)OC)c1C
|
CCN(CC)C(=O)CCN(C(C)=O)c1cc(Cl)ccc1Cl
|
CSc1ccc2c(c1)SC(NC(=O)CC(C)(C)[NH2+]CC(C)O)C(=O)N(Cc1ccc(c3ccccc3c3nn[n-]n3)cc1)C2
|
C[NH+]1CC(C[NH3+])CC1c1cc2c(cc1Cl)OCO2
|
COc1ccccc1c1nc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n[nH]1
|
Nc1nc(=O)c2c([nH]1)NCC(C=NO)=N2
|
CCC(C)(C)C(F)(Cl)C(F)(F)C(C)(CC)CC
|
CC(C)(C)NS(=O)(=O)c1cccc(c2cn(c3nc(C(F)(F)F)cc(c4ccc(Cl)c(Cl)c4)n3)cn2)c1
|
COc1ccc(C)cc1CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1
|
CCO[Si](OCC)(OCC)C(CCOC)C1(CC)COC1
|
CC(C(=O)NCCCCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1
|
CC(NS(=O)(=O)c1ccc(CO)cc1Br)C1CCOC1
|
O=C([O-])C1CCCC(C(=O)[O-])S1(=O)=O
|
COc1ccc(C(C)N(C)C(=O)c2cc(C(C)C)nn2C)c(OC)c1
|
COCCCOC(=O)CCCCCC[NH3+]
|
COc1cccc(Cl)c1C[NH2+]CC1CCCC1CO
|
CC(C)c1ccc(C(=O)CSc2cnccn2)cc1
|
Cc1nscc1C(=O)NC(C)C1CCN(C(=O)C(C)[NH3+])CC1
|
CNC(=O)c1ccc(OC)c(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(N)=O)c3C)CC2)c1
|
O=S(CCCCOc1ccccc1)Cc1cccc2ccccc12
|
C[NH+]1CCCN(c2cc(Br)cc(C(=O)[O-])c2)CC1
|
CCC(O)CC[NH2+]C1CCC[NH+](C)CC1
|
C=C1C2CC(C)(CC2O)C1(C)C
|
CC[NH+](CC(=O)N(C)Cc1ccc(C)o1)CC(C)(C)O
|
COc1cc(CNC(=O)CCc2ncc(c3ccc(C)cc3)o2)ccc1OCC(N)=O
|
COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(OCC(C)C)cc4)c(=O)n32)cc1
|
COC(C[NH3+])CC(=O)N1CCCO1
|
NC(=O)C(N)CS(=O)(=O)c1ccccc1C(F)(F)F
|
CC(C)(C)OC(=O)N1CCC(OC(=O)NC2CC2)CC1
|
COCCC1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCC1
|
CCC12COC(=O)C1CC1CCCCC1C2C=CC1CCCC[NH+]1C
|
[NH3+]Cc1c(C(=O)[O-])nnn1CCCOc1ccccc1
|
N#Cc1ccccc1c1cc(c2c(C#N)cc(c3ccc(c4ccc(n5c6ccccc6c6cc(n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)cc2C#N)nc(c2ccccc2C#N)n1
|
COc1ccc(Cl)cc1Nc1nc(Cl)ncc1Br
|
CCC(C)NC(=O)c1cccc(CNC(=[NH+]C)N2CCC(C(=O)OC)CC2)c1
|
CC=CCCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1F
|
CC(=O)NCc1ccc(C(=O)N(C2CC2)C(C)C(=O)[O-])cc1
|
COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(C)s1
|
CC(=O)Cc1ccc(OCC2CO2)cc1
|
CCCN(CC)C(=O)n1cnc(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1
|
CC(C)c1nc(c2cccc(NS(=O)(=O)c3cccs3)c2)c(c2ccnc(Cl)n2)s1
|
CCC(NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1
|
C=C(C)CNC(=O)C1C=C(C#N)ON1C
|
CC1=C(C)C(C)C([Si](C)(c2cc(C)cc([Si](C)(C)C)c2)C(C)C)=C1C
|
CCN(C(=O)CC(N)=O)c1cccc(Cl)c1C
|
CCOC(=O)Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1F
|
Cc1ccc(Br)c(C(O)C2CCCOC2)c1
|
O=C(CCn1ccc2ccc(Br)cc21)NC1CC[NH+](Cc2ccccc2)CC1
|
N#CC1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1
|
COCCNC(=S)N1CCN(C)c2ccccc21
|
C[NH+](CCc1ccncc1)CCC(O)c1cccc(Br)c1
|
C[NH2+]Cc1ccnc(CSC2CCCC2)n1
|
CCc1cc(NCC(C2CC2)[NH+](C)C)n2ncnc2n1
|
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)cc2)n2c(sc(=Cc3ccc(N4CCCC4)cc3C)c2=O)=N1
|
CC(I)=CCC1OC2(CCC(C)C(CO)O2)CCC1C
|
CC1(c2cc(NC(=O)c3ccc(C#CC4CC4)cn3)ccc2F)C([NH3+])=CCOCC1(F)F
|
CC(C)Oc1ccccc1N1CC[NH+](CCNC(=O)CN2CCCCC2=O)CC1
|
CCOC(=O)c1cc(C)c(c2ccc(C)cc2)nc1C
|
NC(=O)C1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1
|
CCOC(=O)C1=C(C)OC([NH3+])=C(C#N)C1c1ccc(N2CCOCC2)cc1
|
CC(C)(C)c1cc(C(=O)NCC2CCCC2O)n[nH]1
|
Fc1ccc2c(c1)CCC2Nc1ccccc1Br
|
C=CCCCC([NH3+])C1C2CCCCC21
|
O=C(c1ccc(F)c(Cl)c1)N1CCC(CCCl)C1
|
[NH3+]Cc1c[nH+]c(c2ccncc2)[nH]1
|
Cc1ccc(C(=O)CSc2nnc(N3CCOCC3)n2c2cccc(F)c2)s1
|
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1SCc1nnnn1c1ccccc1
|
CCCOCC(COC)(C(C)C)C(C)C
|
CCCC[Te]C=CCO[Si](C(C)C)(C(C)C)C(C)C
|
CCNC(NCCSC)=[NH+]Cc1ccccc1CN1CCCC1=O
|
CCC(CC)(CO)CNC(=O)OCCO
|
N#CCN(CC#N)C(=O)C(=Cc1ccccc1)c1ccccc1
|
Cc1cnc(c2noc(CC([NH3+])C(C)(C)C)n2)c(C)c1
|
CCO[Si](CCF)(OCC)OCC
|
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