smiles
stringlengths 7
778
|
|---|
Cc1ccc2nc(NN=Cc3ccco3)nc(c3ccccc3)c2c1
|
CCn1cc(CNC(=O)C(C)n2nc(C(F)F)c(Cl)c2C(F)F)cn1
|
CN(CC1CCCC1)c1nccc(C#N)n1
|
CC([NH3+])=C(C#N)C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
|
CCc1ccc(c2noc(C[NH+]3Cc4ccccc4CC3C(=O)OC)n2)cc1
|
CC#CCC(CS(C)(=O)=O)NCC
|
O=[N+]([O-])c1c(N2CCOC(c3cccc(C(F)(F)F)c3)C2)nc2ccccn12
|
O=C([O-])c1ccccc1CC[NH2+]Cc1ccc(Br)s1
|
COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1I
|
CC(CNc1cccc(Cl)c1Cl)Oc1ccc(C(C)(C)C)cc1
|
C=C(Cl)CNc1ncc(Cl)cc1Br
|
O=C(CC[NH2+]C1CCCCCC1)NC1CCCCC1
|
O=C(c1cccc(Oc2ccccc2)c1)N(CC1CCCO1)c1nc2ccc(Cl)cc2s1
|
C=CC(=C)CP(=O)(OCC)OCC
|
COc1cccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)cc(C)c3C2=O)c1
|
CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCC)c(OCC)c1
|
Cc1ccc(C(=O)C(C)[NH+]2CCSC(C)(C)C2)cc1C
|
COc1ccc(Br)c(CC(COC(C)C)NN)c1
|
CCOc1cncc(C([NH3+])C(CC)OCC)c1
|
S=C(Nc1ccc(Cl)cc1Cl)NC1CCCc2ccccc21
|
Nc1ccc(Br)cc1SCC1(O)CCC(C(=O)[O-])CC1
|
CCCC(Br)C(C)c1ccc2cc(OC)ccc2c1
|
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
|
CC(C)(C)[NH2+]CCC1CC2CCC(C1)[NH2+]2
|
C[NH2+]C1(C)CCN(C(=O)c2cc(Br)cn2C(C)C)CC1
|
CC1(C)C(=O)NC(=O)C[NH+]1CCC1CCC[NH2+]C1
|
CCC(C)NC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
|
Cc1cc(C)n(NC(=O)Cc2ccc(n3nnnc3C)cc2)c(=O)c1
|
Cc1cc(F)ccc1NC(=O)CCc1ccsc1
|
CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCC#N
|
[CH2-][NH+]1C(=O)c2ccccc2OC1(C)C
|
Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2c(C)cccc2C(=O)NCC(C)C)CC1
|
O=C(c1ccnc(NCc2ccccc2F)n1)N1CCc2ccccc2C1
|
O=C(OCC(=O)c1ccc(O)cc1O)c1ccc(Cl)s1
|
CCC(C)C(NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(Cc1ccccc1)C(=O)[O-]
|
COc1cc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc(OC)c1
|
Cc1ccc(c2cc(c3ccccc3)c3c4ccccc4c4cc(N(c5ccc(C(C)(C)C)cc5)C5C=CC(C(C)(C)C)=CC5)ccc4c3c2c2ccccc2)cc1
|
CCCNC(=O)C1(c2nc3c(OC)ccc(I)n3n2)CC1
|
CCCc1[nH+]c(S(=O)(=O)Cl)cn1CC#CC(C)(C)C
|
Cc1cc(C)cc(CSCc2nnsc2NN)c1
|
OC1C[NH+](Cc2cccnn2)C1
|
CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1
|
CCOc1cc(C2C(c3cccs3)=C(O)C(=O)N2c2ccc(OC)cc2)ccc1OC(C)C
|
C=CC(=O)N1CCN(c2nc(OCCN3CCC(F)(F)C3)nc3c(F)c(c4c(O)cccc4F)c(Cl)cc23)CC1
|
C[NH2+]C1CCCCC(Cc2ccc(O)cc2)C1
|
CCCN(C1(C[NH3+])CCCCC1)S(=O)(=O)CCC
|
CCOC(=O)c1cc(C)nc(N2CC[NH+](Cc3ccccc3)CC2)n1
|
COCCOCC(=O)NC(CC(C)C)C(=O)OC
|
CC(C)OCCCNc1nc(Cl)nc2nccnc12
|
COCC[NH+](CCOC)Cc1ccc(C(=O)N(C)C)cc1N
|
CC(=O)c1ccc(C#N)cc1N(C)C1CCCCCC1
|
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(c2ccncc2)o1
|
Cn1cc(C(O)C2=COCCC2)nn1
|
C1COC2(C1)C1OC3OC2C2(CO2)C(O3)C12CCO2
|
CCOC1CC(CC(=O)N(C)C(C)C(=O)[O-])C1
|
[NH3+]CCc1ccc(C2COC2)s1
|
CCCC1CC[NH+](CC(C=O)(CC)CC)C1
|
CCC(=O)c1ccc(I)n2nc(CC)nc12
|
CC[NH+]1CCC(C[NH2+]C)C1c1ccc(C(F)(F)F)cc1
|
O=C(NCCOc1cccc2ccccc12)C1CC[NH+](Cc2ccc(F)cc2)CC1
|
[NH3+]C1(Cc2cc(Br)cc3c2OCC3)CC1
|
NC(=O)C([NH3+])CN1CCSSCC1
|
CCOc1ccccc1S(=O)(=O)N1CCC(COCCOC)CC1
|
O=C(Nc1ccc(n2cncn2)nc1)C1CC2CCCCC2N1C(=O)c1ccccc1
|
CC1CC=CCC1C(=O)NC1CCCN(C(=O)N2CCCC2)C1
|
CCOc1cc(C(=O)Nc2ccccc2Br)ccc1OCC(=O)N1CCCCC1
|
COC(=O)c1ccc2scccc1-2
|
COc1cc(C(=O)N2CCN(C(=O)c3c4c(nc5ccccc35)CCC4)CC2)ccc1C
|
CCCCCCCOc1cccc(NCc2ccc(OCCOC)cc2)c1
|
O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2nccnc12
|
CN(C1CCCC1C[NH3+])S(=O)(=O)c1ccc(F)c(F)c1F
|
CC1CCCC(NC(=O)CNC(=O)C[NH3+])C1
|
O=C(N=c1cc2n(O)c3ccccc3n(O)c-2cc1=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
|
O=[N+]([O-])c1cc2nc(Cl)nc(Cl)c2cc1F
|
c1ccc2c(c1)c[n+]1n2CCC1
|
Cc1ccc(S(=O)(=O)OCC2CCCc3sc([NH+]=C(N)N)nc32)cc1
|
Cc1nn(c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)c1ccco1
|
COCCNc1cc(c2ccccc2)nc(Nc2ccccc2C(=O)OC)n1
|
O=C(NNC(=O)c1ccccc1n1cccc1)c1cc(F)cc(F)c1
|
CCCOc1c(OC)ccc(Br)c1C[NH2+]C12CC3CC(CC(C3)C1)C2
|
CCOC(=O)C(C)(C)c1ccc(C(O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(O)c1
|
Cc1ccc(C(=O)N2CC(C)OC(CO)C2)cc1[N+](=O)[O-]
|
CCC(O)CCNc1c(C#N)c[nH+]c2ccccc12
|
CC(C)OC(=O)c1ccccc1C=Nn1cn[nH]c1=S
|
C#CCN(CC)S(=O)(=O)c1cc(C[NH3+])ccc1Br
|
CCOCC1CC(c2ccc(C(F)(F)F)cc2N2CCC(C(=O)[O-])CC2)CN1C(=O)C1(F)C[NH+](C2CCC(OC)CC2)CC1c1ccc(OC)cc1
|
O=C(c1cccc(F)c1F)N1CCC2(CC[NH2+]CC2)C1
|
CCC(CC)C[NH2+]CCc1ncon1
|
O=C([O-])C1Oc2ccc(S(=O)N3CCCC3)cc2C(C2CCCCC2)(C2CCCCC2)O1
|
Cc1ccncc1CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
|
COC(=O)c1cccc2c1c1c(n2Cc2ccccc2C(F)(F)F)CC(C)CC1=O
|
C[NH+]=C(NCc1cccc(Cl)c1)NC1CCN(c2ccccc2)C1
|
Clc1cc2c(cc1Cl)Nc1cc(Cl)c(Cl)cc1N2
|
C[NH+](C)CCCNc1ncc(C=O)cc1Cl
|
Cc1ccccc1CCC([NH3+])CCC(C)C
|
CC1CN(C(C[NH3+])c2ccc(Cl)c3cccnc23)CC1C
|
O=C(NNC(=O)C1CCOCC1)c1nc(c2ccccc2)n(c2ccccc2)n1
|
O=C1CC(OC(CBr)CC(=O)OC(c2ccccc2)c2ccccc2)N1
|
CCCc1cc[nH]c2cncc1-2
|
O=C(Nc1ccc(c2ccc(F)cc2)cc1)c1ccc(N2C(=O)CCC2=O)cc1
|
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