smiles
stringlengths 7
778
|
|---|
CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccc(Cn3cccn3)o2)sc1C
|
C=CCN(Cc1ccc(Br)s1)C(=O)C[NH+](C)CC(=O)NC(C)(C)C
|
COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
|
COC(=O)CC1c2ccccc2C(=O)N1C1CC1
|
Cc1cc(OC2CC([NH3+])C2)cc([N+](=O)[O-])c1
|
CC(Oc1ccc(Oc2ccccc2C(F)(F)F)cc1)C(=O)[S-]
|
CCCCC1=C(N([Si](C)C)[Si](C)(C)C)CC=C1
|
Cc1sc(=Nc2ccccc2)n(c2ccccc2)c1c1ccc(Cl)cc1
|
NC(=O)c1cccc2c1nc(C1CC[NH2+]CC1)n2CC[NH+]1CCCCC1
|
CC(C)c1[nH]c(=O)nc2ccc(F)cc12
|
O=S(=O)(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1Cl
|
C=CCn1c(SC(C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc1c1ccccc1OC
|
CC(CN(C)C(=O)c1ccc(OC(F)F)cc1)c1nn[n-]n1
|
C=C(C=CC(=N)c1ccc2c(c1)c1ccc3c(c1n2c1ccccc1)CCc1cc2c4cc(c5ccc(C6C=CC=CC6)cn5)ccc4n(c4ccccc4)c2cc1-3)c1ccccc1
|
c1cc2c(cc1C1=[NH+]CCN1)oc1cc(C3=[NH+]CCN3)ccc12
|
CC(=O)NCc1ccc(S(=O)(=O)NCC2C[NH+](Cc3ccccc3)CCO2)s1
|
Nc1ccc(N=Nc2c(S(=O)(=O)[O-])cc3ccc(Nc4ccccc4)cc3c2O)cc1
|
Oc1ccc2nc(C3CCCC3)nn2c1
|
NC(N)=[NH+]CCCC([NH3+])C(=O)C([NH3+])(C(=O)[O-])C(CC[NH+]=C(N)N)C(=O)C([NH3+])Cc1ccccc1
|
CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCC(C)C)C2=O)CC1
|
CCc1c(C(=O)NCC(F)(F)F)cnn1c1ccc(F)cc1
|
CC(C)(C)C(CC[NH3+])NC(=O)C1Cc2ccccc21
|
S=c1c(c2ccc(Cl)cc2Cl)cnc2[nH]c(c3ccccc3)cn12
|
O=C1COC(c2ccccc2)O1
|
CCCC1CCN(C(=O)C2Cc3ccccc3N2)C1
|
CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(n4cccn4)c3)cc2)C1
|
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(Cl)s2)c1
|
COCCCCC(O)(CCCC[NH3+])c1cccc(Cl)c1
|
Cc1csc(N2C(=O)NC3(CCOCC3)C2=O)c1
|
C=C(CC)CC([NH2+]CC)c1ccccc1C
|
CCCCn1c(CC)nc(c2cn(C)nc2CC)c1N
|
CCc1cccc(OCCOc2ccccc2)c1C(C)=O
|
Cc1cccc(F)c1Oc1nc(NS(=O)(=O)C(C)C)cc(c2cc(Cl)c(=O)n(C)c2)n1
|
N#CCc1cc(Br)cc2ccccc12
|
CCCC(=O)Nc1ccnn1C(C)C1CC1
|
Cc1ccccc1C1NC=[NH+]C1c1ccccc1C
|
C[Sn](C)(C)C(=C=O)[Sn](C)(C)C
|
O=C(NCc1cccnc1)Nc1ccccc1C[NH+]1CCSCC1
|
CC(C)(C)OC(=O)NCc1nnn(CC(=O)[O-])n1
|
N#Cc1ccc(N2C(=O)C3(CCC3)N(c3ccc4c(c3)C=CC(CO)O4)C2=S)cc1C(F)(F)F
|
O=c1cccc(c2ccc(F)cc2)n1Cc1ccc(Br)cc1
|
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1OC
|
C[SiH]1c2cc(C=Cc3ccc(c4c5ccccc5c5ccccc5c4c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
|
CC(C)c1ncoc1C(=O)N1CC[NH+](Cc2ccccc2)CC1
|
CC1CN(C(=O)NCCC(C)C(=O)[O-])CC(CO)O1
|
C[NH2+]CCc1ccc(COCCOCCOC)cc1
|
C=CCOc1ccccc1CNC(=[NH+]C)N1CC[NH+](CC(=O)N2CCOCC2)CC1
|
CC1CC(Br)(C=O)C12CCCCC2
|
C1=CC2C(C3=CCCC=C3)=CC=C(Cc3ccc(CCCC4CCCCC4)cc3)C2=C1
|
Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3cc(F)cc(Cl)c3)CC2)CC1
|
Cc1c(C(C)NC(=O)c2cccc(OCc3cccnc3)c2)cnn1c1ccc(F)cc1
|
Cc1ccnc(Oc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-]
|
OCCN(CC1CCC[NH2+]1)c1nccn2cnnc12
|
CCCN1C(=O)C(CC(C)C)NC(=O)C12CC[NH+](Cc1nc[nH]c1C)CC2
|
CCCCOCCCNC(=O)N1CCN(CC[NH3+])CC1
|
C=C(C(Cl)=CC=CC)C(C(=O)NC1CC(F)(F)C1)N(C(=O)C1COC(=O)N1c1ncccn1)c1cccc(F)c1
|
Cn1c(CO)c[nH+]c1Sc1ncncc1Cl
|
CC(C)(NC(=O)Nc1ccc(F)cc1F)C(N)=[NH2+]
|
O=C(C1C[NH+](Cc2ccncc2)CC2OCCC21)N1CCCO1
|
Cc1cc(C)c(NC(=O)COC(=O)C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1
|
CC(c1ccccc1F)n1cc(C(=O)[O-])ccc1=O
|
COc1ccc(c2noc(C3CCCN3C(=O)c3ccc(F)c(F)c3)n2)cc1
|
COCC[NH2+]Cc1cc(F)cc(OC2CC[NH+](CC(C[NH3+])n3cc(c4[nH]cnc5nccc4-5)cn3)CC2)c1
|
Cc1ccc(C2(C)CC(=O)NC2C)c(C)c1
|
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(c3ccc(C(=O)OC(C)CCCC)cc3)cc2)cc1F
|
CC(=O)NC1CCCN(C(=O)c2ccc(Br)c(C)c2)C1
|
CC[NH2+]C(CC[NH+]1CCN(CC)CC1)C(=O)[O-]
|
Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)o1
|
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[NH2+]CC1
|
CC(=O)N(CCCc1ccccc1)CCC(=O)NC(C)(C)C
|
CCCCC(CC)COCCc1ccccc1
|
COC(=O)CCC(=O)OCCl
|
Cc1ccc(F)cc1c1nnc(NC(=O)N2CC3CCC(O)C3C2)s1
|
Cc1nn(C)c(C)c1C1CCCN1C(=O)c1ccc(n2cncn2)cc1
|
CCCCc1nc(N)c2c(n1)c(C#CCCC[NH+]1CC(C)C1)cn2COCc1ccccc1
|
CC1C=CC(=O)C=C1C(Cl)(Cl)Cl
|
C=CC[Si](C)(C)SC(C)(C)C
|
FC(F)=C(F)OC(F)(I)C(F)(F)F
|
CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)CCS(=O)(=O)C1
|
CC[NH2+]CCc1nc(CSCC)no1
|
Cc1c(C[NH+]2CCN(C(=O)C3CCOCC3)C(C)C2)cc(Cl)cc1NC=O
|
CC(C)COCC(C)(C)C(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)[O-]
|
O=C(CCc1ccccc1)C1=NNC(C(=O)N2CCCCC2)C1
|
CN(CCOc1ccc(Cl)cc1)C(=O)c1ccccc1NC(=O)c1ccsc1
|
C[NH2+]CCc1ccc(S(=O)(=O)Nc2cnccc2C)cc1
|
C=CCc1ccc(C(O)CCCCl)cc1
|
c1ccc(N=Nc2cnc3ccccc3c2)cc1
|
C=CCC([NH2+]C(C(=O)OC)C(C)C)c1ccc(OC)cc1
|
CC(O)c1cccn1CCn1cccn1
|
O=C([O-])CCC1CCN(C(=O)Cc2ccncc2)C1
|
CCc1ccc(c2ccc(C(C)(C)CC)cn2)nc1
|
CC(C)(C)OC(=O)NCCNc1c(Cl)cnn(CC2CC2)c1=O
|
CC(C)CN1C(=O)C(C)(C)Oc2ccc(C([NH3+])C(C)(C)C)cc21
|
CC1CN(C(=O)c2ccc(=O)[nH]c2)CC(C)[NH2+]1
|
COc1cc(C)ccc1Oc1nnc(C[NH2+]C2CC2)s1
|
CC1CN(C(=O)C[NH+](C)CC(O)C2CC2)CC(C)O1
|
COc1cc(C)ccc1NC(=O)c1cccc(F)c1F
|
CC(=O)N1CCN(c2ccc(CC(C=O)Nc3ccc(c4cccc(F)c4)cn3)cn2)CC1
|
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cc(Br)ccc1Cl
|
O=C(CC1(COc2ccc(F)cc2)CCN(C(=O)c2ccccc2C(F)(F)F)CC1)N1CCOCC1
|
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