smiles
stringlengths 7
778
|
|---|
CCC(C)C(O)C[NH2+]C1CCCCC1SC
|
COc1ccccc1C[NH2+]C1CCCNC1c1cccc2ccccc12
|
Cc1cc(C)c(S(=O)(=O)NC(N)=NCCCC([NH3+])C(=O)NCC(=O)OC(=O)C([NH3+])C(Cc2ccccc2)C(=O)[O-])c(C)c1
|
COc1ccc(N(c2cccc(C)c2)c2nc(N)nc(Nc3cccc(C)c3)n2)cc1
|
Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1(c2cccc(Br)c2)CC1
|
CCn1nc(C)cc1CC(CCC1CCCC1)NN
|
CCC(C)C(NC(=O)Nc1cc(C)n(C)n1)C(=O)[O-]
|
Cc1sc2nc(CSC(C)C(=O)n3ccccc3=[NH+]C3CCCCC3)[nH]c(=O)c2c1C
|
[NH3+]C(c1ccc(Br)s1)C1CCCCC1
|
CC#CCNC(=O)c1ccc(N)c(OC)c1
|
Cc1cc(Br)c(S(=O)(=O)NCCS(=O)(=O)Cl)cc1Br
|
COc1cc(C=C(O)C(C)=O)ccc1OS(=O)(=O)[O-]
|
COCc1cc(F)cc(OC)c1C(O)C[NH3+]
|
COC(=O)NC(C(=O)N1CCCC1C1=[NH+]C2C=C(C#Cc3ccc(c4c[nH+]c(C5CN(C(=O)OC)CCN5C(=O)C(NC(=O)OC)c5ccccc5)[nH]4)c(F)c3)C=CC2=N1)c1ccccc1
|
C=CCN(CCOC)C(=O)c1ccc(Cl)cc1O
|
C=CC1C[NH+]2CCC1CC2C(OC(=O)C1CN1c1ccccc1)c1ccnc2ccc(OC)cc12
|
CC(=NO)c1ccc(NC(=O)c2ccc(O)c(O)c2)cc1
|
CC(C(=O)Nc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O
|
COc1ccc(C)cc1C=CC(=O)Oc1c(C)ccc(C)c1C
|
[NH3+]CC#CCCC[NH+]1CCCC1
|
CCCCOC(=O)c1ccc(OCC(=O)Nc2cccnc2Cl)cc1
|
O=C(c1ccc(Cl)cc1Cl)N1CCCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
|
CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)cc(C(=O)NC2CC2)n3S(=O)(=O)c2ccccc2)C1
|
Cc1ccc2nc(Sc3ncnc(Cl)c3[N+](=O)[O-])[nH]c2c1
|
CCC1CCC(Nc2cccc(C(=O)NC)c2C)CC1
|
CN(C)S(=O)(=O)c1ccc(CNC(=O)NCCC2=CCCCC2)s1
|
Cn1ncc(Cl)c1C([NH3+])c1sccc1Br
|
CC(=O)C(Br)c1ccc(C(F)F)c(CCl)c1
|
CC(OCCOCC(=O)N1C(=O)CCC1=O)C(OCCOCC(=O)N1C(=O)CCC1=O)C(COCCOCC(=O)N1C(=O)CCC1=O)OCCOCC(=O)N1C(=O)CCC1=O
|
CC(Cc1ccc(OCc2ccc(C)cc2)cc1)=NO
|
CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=Cc5c(cnn5c5cccc(Br)c5)CC4(C)C3(Cl)C(O)CC21C
|
O=C(c1ccc(n2cncn2)c(F)c1)N1CCC[NH2+]CC1
|
Cc1ccnc(Cl)c1NC(=O)C(C[NH3+])CC(C)(C)C
|
CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(C3CS(=O)(=O)C3)c2n1
|
COc1ncccc1c1cccc(C#N)c1
|
COc1ccc(C)cc1C=CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1
|
Cn1cnc2c(NCc3ccccc3N)nc(Cl)nc21
|
COc1ccc(c2ccc(OC3OC(C)(C)C(OC)C4OC(=O)OC34)cc2C(=O)NCc2ccccc2)cc1
|
Cc1ccc([NH+]=C2SC(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)N2CC(C)C)cc1
|
COc1cc2c(cc1Br)C(C#N)=CC1=CC=NC(=O)C12
|
CCCc1ccc(c2ncn(CCC(=O)NCc3ccccc3Cl)n2)cc1
|
Pc1c(c2ccccc2)c(c2ccccc2)cc(c2ccc3ccccc3c2)c1c1ccccc1
|
CC(C)n1c(O)c(N=NC(=O)CC[NH+]2CCCCC2)c2ccccc21
|
COCCC1(C(=O)N2CCc3c(nnn3c3ccccc3)C2)CCCC1
|
Cc1ccc(C([NH3+])CCc2cnn(C)c2)cc1
|
Cc1nc(C2CCCCC2)sc1CC(C)C[NH3+]
|
O=C([O-])NCc1cc([N+](=O)[O-])ccc1Br
|
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(Br)sc1Br
|
CC[NH2+]C(CCC1CCCC1)c1cc(Cl)c(OC)cc1Cl
|
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
|
CC(C)(C)OC(=O)N1CC([NH2+]C2CN(C(=O)OCc3ccccc3)C2)C1
|
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(C)c3)C2c2ccccn2)c1
|
C=C(C)C(O)OCCCCCCOc1ccc2cc(C=CC(=O)[O-])ccc2c1
|
COc1ccc(CN(C)C(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)cc1F
|
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccccc2C(=O)N2CCCC2)CC1
|
COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(c3cc(OC)ncc3C)cc1N2
|
O=S(=O)(Nc1ccc(Cl)nc1)c1c(Cl)nc2sccn12
|
Cc1nc(CCNc2nnc(SCC(=O)[O-])s2)cs1
|
COC(=O)c1c(NC(=O)C(C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)sc2c1CCCC2
|
CCOC(C=CC(=O)[O-])C(OC(=O)Nc1ccc(C#N)cc1)c1cc(Br)ccc1O
|
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1ccc(Cl)c(Cl)c1
|
C=C(C)c1ccc(S(C)(=O)=O)cc1N
|
CC(C)(c1ccccc1)N1C(O[Si](C)(C)C)c2cccc(I)c2S1(=O)=O
|
Cn1c(=O)c2c(SC3CCOCC3)nc(C(C)(C)C)nc2n(C)c1=O
|
O=S(=O)(CC1CC1)NCc1sccc1Br
|
O=c1cc(N2CCOCC2)oc2c(NCc3cnccn3)nccc12
|
CC1CCCC(Sc2cccc(S(=O)(=O)N(C)C)c2N)C1
|
C[NH+]1CCC(CCC=O)C(C2=CC3C=C[NH2+]CCC3C=C2)C1
|
COc1ccc(n2ccc(C(=O)NCC3CCCC3O)n2)cc1
|
Cc1ccccc1NCCC(=O)NCC([NH3+])C1CC1
|
NC(=[NH+]O)c1ccc(NC(=O)c2ccccc2Br)cc1
|
CCCCCCCC=NN(C)C
|
COc1ccc(CCC(=O)NCCn2nc(C3CC3)ccc2=O)cc1
|
CC(CNC(=O)Nc1ccnn1C1CCCCC1)Oc1cccnc1
|
CNc1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)s1
|
NC(=O)CC([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CS)C(=O)[O-]
|
Cc1c(F)ccc2c1C(C1CCCO1)[NH2+]CC2
|
C1=CC(CNc2ncnc3cc(c4ccccc4)ccc23)CN=C1c1cccnc1
|
CSCCC(NC(=O)C(C)NC(=O)C([NH3+])Cc1cnc[nH]1)C(=O)NC(CCC(N)=O)C(=O)[O-]
|
COCCc1ccccc1S(=O)(=O)NS(N)(=O)=O
|
COC[NH+](C)C1=C(c2cccc(C(F)(F)F)c2)C(=O)C(C)O1
|
Clc1cccc(Nc2nncc(N3CCCC3)n2)c1Cl
|
CCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
|
CC(C)(C(=O)N1CC2(CCCC2)c2cccc(F)c21)S(=O)(=O)C1CC1
|
CCNC(NCCc1ncc(CC)s1)=[NH+]CC1C[NH+](C)CCO1
|
Cc1ccccc1CNC(=O)CCC(=O)N1CCCC1
|
CNc1ncc(C)c(N(C)CCOC)n1
|
C[NH+](CC(=O)Nc1nc2ccccc2[nH]1)Cc1ccc2nonc2c1
|
O=C(NCCn1cccnc1=O)c1ccc(Br)o1
|
C=CCOC(CO)COCc1ccccc1
|
Cc1cccc(n2cc(C(=O)NC(C)C(C)CO)nn2)c1
|
CCc1nsc(N2CCCN(C(=O)c3cc4n(n3)CCCC4)CC2)n1
|
Cc1ccccc1COc1cccc(CNC(=O)C2CCCCC2C(=O)[O-])c1
|
C[NH2+]C1CCCN(c2nc3c(cc2C(N)=O)CCC3)C1
|
CCC1CC1[NH2+]Cc1cccc(F)c1N
|
CCCn1nccc1c1ncccc1CC1CCC[NH+](C)C1
|
CCCNC(=O)C(=O)NCCCCC=CCCCCCCc1nn[n-]n1
|
C=CCC(C)(CC)O[Si](C)(C)C
|
CCOC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1SCCOC(=O)c1ccccc1
|
CSc1ccc(NC(=S)N(C)[NH3+])cc1
|
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