smiles
stringlengths 7
778
|
|---|
CC(CC(=O)OC(C)(C)C)Cn1nnc(c2ccc(Oc3ccc(F)cc3)cc2)n1
|
CC(=O)C(Cc1ccccc1)NC(=O)CSc1nnc(c2ccc(F)cc2)n1c1ccc(F)cc1
|
CC[NH2+]C(CC[NH+]1CC(C)OC(C)(C)C1)C(=O)OCC
|
CC1CCC(O)(c2nc(Br)cs2)C(C)C1
|
COc1c(NCCc2nc(C)no2)[nH]cnc1=O
|
COc1ccc(C=CC(=O)NC(C)C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
|
CC[NH2+]C(c1cn[nH]n1)c1ccccc1C(F)(F)F
|
C=CCNC(=O)C(C)Oc1c(C)cc(CO)cc1C
|
COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3)cc3cc(Br)ccc32)cc1OC
|
CCNC(Nc1cccc(OCCCOC)c1)=[NH+]CC(C)C[NH+]1CCCC1
|
C#Cc1cccnc1N1CCOCC1
|
CCC[NH2+]C(c1ccc(C)cc1)c1ccc(C)cc1F
|
COc1cc(C)nc(C[NH2+]CCCC(C)CO)c1
|
CCN(CC)c1cc(Cl)nc(SCc2ccc(C(=O)N3CC[NH+](CC=Cc4ccccc4)CC3)cc2)n1
|
CC1(C)C(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1(C)C
|
COc1ccc(F)cc1CN(C)c1ccc(N)cc1
|
Fc1cnc(N2CCC(Cl)C2)c(F)c1
|
COc1ccc(CCN2CC(c3nc(CSC)no3)CCC2=O)cc1
|
OC1C([NH2+]Cc2ccccc2Cl)C2COC(O2)C1n1cccn1
|
COCCOCC(O)CNc1ccc(OC)c(F)c1
|
Cc1nc(C2CCCN2C(=O)NC(C)c2cn(C(C)(C)C)nc2C)no1
|
CC(C)n1cc(C(=O)C=Cc2ccc(c3ccccc3[N+](=O)[O-])o2)cn1
|
CC(=O)NCCN(C(=O)COc1ccc(C(C)(C)C)cc1)C(C)C(=O)[O-]
|
O=C1CC(O)(C(F)(F)F)c2c(ccc3c2NCCC3=O)N1
|
O=[P+]([O-])C1(O)OP2(=O)OC(O)C1(O)O2
|
[NH3+]CCc1c(c2cccnc2)nc2scc(c3cccs3)n12
|
CCC(C)Nc1nc(C)cc(C(N)=S)n1
|
Cc1cccc(C)c1N(CC(=O)NN)S(=O)(=O)c1ccc(Br)cc1
|
Cc1ccc(C(=O)NC(C)c2cccc(F)c2)cc1NS(C)(=O)=O
|
CCCOCCC[NH2+]Cc1cc(F)ccc1C
|
Cc1nnc(C[NH+]2CCCC(c3[nH]ncc3C[NH+]3CCOCC3)C2)o1
|
Cc1cc(C)n(c2cc(Oc3ccc(NS(=O)(=O)Cc4cc(F)cc(F)c4)cc3)nc(C)n2)n1
|
CCOC(CC[NH2+]CC(C)CSC)OCC
|
CCN(CC)C(=O)C(C)N1CCCCC1C[NH2+]C(C)C
|
Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3=O)cc1Cl
|
OCC[NH2+]CCCc1ccc(SC2CCCCC2)cc1
|
O=C([O-])C1CCN(C(=O)n2ccnc2)C1
|
CCCc1cc(c2ccc(C(N)=[NH2+])cc2)ccc1OCCOc1ccc(O)c(c2ccccc2)c1
|
COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCCN(C(=O)OC(C)(C)C)CC1
|
CCCCCOC(=O)CCCCCCS(=O)[O-]
|
CCN(CC(=O)OC)c1ccc(C(F)(F)F)cc1F
|
Cn1ncc(NC(=O)N2CC3(CCCOC3)C2)c1C(F)(F)F
|
Cc1cc(c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)o2)n[nH]1
|
Cc1cccc(N(CCC(C)C)CC(C)C(=O)[O-])c1
|
COc1ccccc1C(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccnc3c(C(F)(F)F)cccc23)cc1
|
CCCc1cc(C(=O)Nc2ccc(Br)cn2)cs1
|
CCCCCC(C)NS(=O)(=O)c1cc(CO)c(Cl)cc1Cl
|
CC1[NH2+]CCCC1NC(=O)c1ccc2nnn(C)c2c1
|
C=CCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C
|
COC(=O)c1ccc(CN2C(=O)NC(=Cc3cn(CC#N)c4ccccc34)C2=O)o1
|
CC(=O)N(C)Cc1cccc(NC(=O)CSc2nnc(c3ccc(Cl)cc3)o2)c1
|
CC(C)OC(=O)Nc1ccc(c2c(N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1
|
Cc1ccc(Cl)cc1c1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)o1
|
COC(=O)CC(C)NCC(O)C(F)(F)F
|
N#CCC1C[NH+](Cc2ccc3c(c2)OCO3)CCN1
|
CC(=CC(=O)[O-])C[NH2+]CCCOCC(C)C
|
COC(=O)C(C)SCCC(F)(F)C(F)(F)F
|
Cc1ccc(NC(=O)CN(c2c(C)cc(C)cc2Cl)S(C)(=O)=O)cc1
|
CCc1cc2c(C3=NNC(=O)CC3C)ccc(C(N)=O)n2n1
|
C=CCN1C(=O)C(=Cc2cccc(OCCOc3cccc(OC)c3)c2)SC1=S
|
CCN=C(N[NH3+])c1cncc(Cl)c1
|
CC1CN(c2nc3ccccc3c3nnc(c4ccco4)n23)CCN1C(=O)Nc1ccccc1
|
COC(=O)N1CCCN(C(=O)c2nn(c3ccccc3)c3c2CCC3)CC1
|
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCC(O)CC1
|
COc1ccc(CC(C)(O)c2ccsc2c2cccs2)cc1OC
|
O=C(CCNC(=O)c1ccco1)Nc1ccc(Cl)cc1F
|
CCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(SC(C)C(=O)Nc3ccccc3OCC)c2)cc1
|
Nc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2O)cc1
|
Cc1ccn(c2ccc(C[NH3+])o2)n1
|
Cc1cccc(c2nnc(SCC(=O)NC(=O)NCc3ccco3)n2Cc2ccco2)c1
|
O=C1CCCN(S(=O)(=O)c2ccccn2)C1
|
COc1cc(OC)c(c2ccnn2c2ccccc2Cl)cc1S(=O)(=O)N(C)CCO
|
CCC[NH2+]C(CCc1cnn(C)c1)C1CCOC1
|
[NH3+]C1CCC(C(=O)NCCF)C1
|
NC(=O)C1([NH2+]Cc2cccs2)C2CC3CC(C2)CC1C3
|
C[NH2+]Cc1ccnn1CCS(C)(=O)=O
|
CC(Br)C(=O)c1ccc(C#N)c(F)c1
|
Cc1c(F)cccc1NC(=O)N1CCN(C(=O)C2CC2)C1
|
CC(Oc1ccc(C=O)cc1)C(=O)N(C)C1CCCCC1
|
C(C[NH2+]CC1(C2CC2)CC1)COC1CC[NH2+]CC1
|
Cc1ccccc1C1(C(=O)NCCc2ncnn2C)CCCCC1
|
CC1NC(=O)CCC1NC(=O)NCCC1CC[NH+](C)CC1
|
CC(C)N1CC=C(C=CC=[W])C1=O
|
CC1(C)CN(c2nnc(C(F)(F)F)s2)CC(CBr)O1
|
CCCC(CBr)(CCC)CN1c2ccccc2CC1C
|
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccc(C#N)cc3)c2)cc1
|
[C-]#[N+]C(=Cc1cc2cc3c(cc2oc1=O)C#CC1C(CC3)C1C(=O)OCC)C(=O)OCC
|
S=c1[nH]nc(Cn2c3ccccc3c3nn4c(nnc4c4ccccc4)nc32)o1
|
O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
|
Cc1cccc(N)c1S(=O)(=O)NCc1cccc(Br)c1
|
CCC1(C)CC1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1
|
Cc1ccncc1c1nc(=O)cc(CCl)[nH]1
|
Cc1ccc(S(=O)(=O)N2CCCC2Cn2cc(CN3C(=O)COCC3c3ccccc3)nn2)cc1
|
COc1ccc(Cl)cc1C(=O)OC(C(=O)Nc1cc(C)on1)c1ccccc1
|
COc1cccc(C(=O)N2CC(C[NH3+])C2)c1
|
O=C(c1ccccc1C(F)(F)F)N1CC[NH+](CC2CCCO2)CC1
|
Cc1ccc(F)c(C[NH+]2CCc3nc(N4CCC(C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1
|
O=C([O-])C1CN(C(=O)c2ccc(F)c(Br)c2)CC1C(F)(F)F
|
CCc1cc(NCC(=O)NC2CC2)ncn1
|
CCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(Cc2ccccc2)c2ccccc2)cc1
|
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