smiles
stringlengths 7
778
|
|---|
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3C(COC(C)=O)OC(OCC(CBr)CBr)C(N4C(=O)c5ccccc5C4=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
|
c1ccc(COc2nc(N=Nc3ccccc3)nc3nc[nH]c23)cc1
|
CCCC1C(CC)N(I)c2cc(C)ccc2S1(=O)=O
|
Cc1ccc(Nc2ccccc2NS(=O)(=O)c2c(C)n[nH]c2C)cc1
|
CCC=C(C=O)C1CCCCC1
|
CC=CCCCCCCCCCC1N=CC[N+]1(CC)C(C)NC(C)=O
|
OC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1(O)COCc1ccccc1
|
COc1ccc(Cc2nc3ccc(C(=O)NCCNc4cccnc4)cc3o2)cc1
|
CCCCCCC[NH+]1CCC(CCCc2ccnc3ccc(OCC[NH+]4CCOCC4)cc23)C(CC)C1
|
CCC[NH2+]C(Cc1ccc(Cl)c(Cl)c1)C1CCCC1(C)C
|
BNc1nc(N)nnc1C(N)=O
|
Cc1cccc(COC2(C(=O)NN3CCOCC3)CC(O)C(O)C(OCc3ccc(C#N)cc3)C2)c1
|
CCOc1cc(NCC[NH2+]C2CC2)ccc1[N+](=O)[O-]
|
CSc1nc(NN)cc(Nc2c(Cl)cc(F)cc2Br)n1
|
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Cl
|
O=S(=O)(c1ccc(F)cc1)N1CCc2ccc(OCCC[NH+]3CCCCC3)cc2C1
|
O=C1CSC(Nc2cc(NC(=O)C3CCC3)ccc2Cl)=[NH+]1
|
N[N+](=O)c1cc(Sc2ccc(Br)cc2)cc(c2c(C(F)(F)F)n3ncc(Cl)c3nc2c2cccs2)c1
|
CC(=O)N1CCCN(c2ccc(N)cn2)CC1
|
C[NH+]=C(NCC1CCCN1S(C)(=O)=O)NC1CN(C(=O)OC(C)(C)C)C1
|
CC(CC(=O)[O-])SCCCOc1ccc(Cl)cc1
|
CCNc1cc(C)nc(C[NH+](CC2CC2)C(C)C)n1
|
Cn1cc(CC(C(=O)[O-])C(C)(C)C)c2ccccc21
|
[NH3+]C(CC12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2)c1ccncc1
|
CC(C)(C)[Si](C)(C)OCCCC(Nc1nc(Cl)nc2ncn(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
COc1cccc(NC(=O)CCCc2nc(c3ccc(F)cc3)no2)c1
|
Clc1ncnc2c1ccn2C1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccccc2)O1
|
O=C(CS(=O)CCCOc1ccc(C(=O)[O-])cc1)Nc1ccccc1
|
CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2F)CC1
|
CCOC(CCNC(NCC1(SCC)CCOCC1)=[NH+]C)C1CCCC1
|
COCC(=O)OC1C(=O)C2(C)C(OC(C)(C)SC(C)C)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC)C(C)[NH+](C)C)C(C)=C1C2(C)C
|
O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12
|
C=CCn1c(=NC(=O)c2ccc(F)cc2)sc2cc(S(C)(=O)=O)ccc21
|
C=CCOc1cccc(NC(=O)COc2ccccc2C)c1
|
Fc1ccc(C2(C[NH2+]C3CC3)COC2)cc1F
|
Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2c(C)cccc2C(=O)Nc2ccccc2C)CC1
|
CCC=CC1=CC=C(c2ccc(O)c3c2CC2CC4C(C(C)C)C(=O)C(C(N)=O)=C([O-])C4(O)C(=O)C2=C3[O-])C1
|
CC1OC(C)C(C(=O)Nc2nc3ncnc-3c(Cl)[nH]2)C1C
|
CC(C)CCCCn1cncc1C([NH3+])C1CCOC1
|
[NH3+]CCCCC([NH3+])C(=O)N1CCCC2(CC(O)C(c3ccccc3)NC2=O)C1
|
CCC1(C(=O)[O-])CC[NH+](CCCCO)CC1
|
O=c1cc(Cl)[nH]c(=O)n1c1cccc([N+](=O)[O-])c1
|
CC(=O)C1CCN(c2ncc(Br)c(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1
|
CCN(CCCO)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1
|
CCN(CC)C(=O)c1cccc(NC(=O)COc2cc(C)ccc2Cl)c1
|
Cc1noc(c2ccc(Br)cc2)c1NC(=O)OCCc1ccc(C(F)(F)F)cc1
|
CC(Oc1cc(c2ccc3c(c2)C2(CC[NH+](C4CC4)CC2)C(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl
|
NC(=O)c1ccc(C2c3cccnc3NC2C[NH+]2CCC(O)CC2)cc1
|
CC(C)CNC(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1N1CCCC1
|
CC(CC[NH3+])c1nc(Cc2ccc(O)cc2)no1
|
Cc1cccc(CN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1
|
CCC(C)N(CC(=O)[O-])C(=O)NCC(COC)OC
|
CC1CCCC2(CSC(Nc3cccnc3)=[NH+]2)C1
|
O=C(COc1ccc2ccccc2c1)N1CCC(O)C1
|
CC(=O)C1CN(C(=O)C=Cc2cnc3c(c2)CC2(CC[NH2+]CC2)C(=O)N3C)C1
|
CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(c4ccc(Cl)cc4)[nH]c23)cc1
|
CCCC1(C(=O)N(C)CC(=O)N(C)C)CCC[NH2+]1
|
Cc1c2c(c(F)c3c(c4cc(Cl)c(O)cc4F)nc4[nH]ncc4c13)OCCO2
|
CC(C)Cn1ncc(NC(=O)N2CCOCC2)c1C1CC1
|
Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1[nH]c2ccccc2c1C
|
C[NH2+]CCc1ccccc1C(=O)NC1C2C3CCC(C3)C12
|
CCCOc1ccc(c2cncc(C=O)c2)cc1
|
CCOC(=O)c1ccc2c(c1)CCC(C)(C)C2(C)CC[NH3+]
|
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Nc2c(F)cccc2F)nc1
|
COc1cccc2cc(C[NH2+]CCc3cnc[nH]3)oc12
|
CN1CCCN(C(=O)N2CCCCC2)CC1=O
|
CC(C)C(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(C(=O)[O-])C(C)O
|
CCCCCC(C)NC(=O)C1COCC1[NH2+]CC
|
CC(C)n1c2cccc(F)c2nc1c1ccc(N)c(Cl)c1
|
COC(=O)c1cccc(NC(=S)N2CCN(S(C)(=O)=O)CC2)c1
|
C=CCOC(=O)c1ccc(OC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)c(OCOCCOC)c2)cc1
|
CCNC(=O)CC[NH2+]C(C)c1ccc2ccccc2c1O
|
CCc1ccc(CN(C)C(=O)c2cc(Br)ccc2N)cc1
|
COc1ccc(c2c(=O)n(C)c(N3CCC([NH+](C)C)CC3)nc2c2ccc(C#N)c(F)c2)cn1
|
C=CCCC(C)[NH2+]C1CCC(CC)CC1
|
Nc1nnc(N)c2c1COC2=O
|
CCOc1cc(C2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2ccc(Br)cc2)ccc1O
|
CCn1c2c(c(C)c1c1cccc(C(=O)OC)c1)COc1ccccc1-2
|
C=C(CC)C(=O)c1ccc(OCC(=O)NCCCC)c(Cl)c1Cl
|
COCCCn1nccc1C1OCCC1C(=O)NCc1cn2c(C)cccc2[nH+]1
|
N#Cc1ccccc1c1ccc(n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
|
O=C(Cc1cn2cc(Cl)cc(Cl)c2[nH+]1)NCC1C[NH2+]CC1O
|
CN(C)C(=O)C[NH+]1CCC2(CC1)CC([NH3+])c1ccccc12
|
CS(=O)(=O)OCc1cc(OS(C)(=O)=O)ccc1OS(C)(=O)=O
|
CC(C)(C)c1c(N)nnn1Cc1c(F)cccc1F
|
COCCCOCCOCCC(C)([NH2+]C(C)C)C(=O)[O-]
|
CCc1nn(C)c(CC(NN)c2ccccc2C)c1Cl
|
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)cc1C
|
C[NH+](CCc1ccc2c(c1)OCCO2)C(CO)CO
|
Cc1ccc(OCC(=O)Nc2cccc(c3nc4cc(C)ccc4o3)c2)cc1
|
CCc1ccc2c(c1)C1([NH2+]C(C(C)O)C3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)C31)C(=O)N2
|
COc1cc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(c4ccccc4Cl)C3=O)c2)c(Cl)cc1C(=O)[O-]
|
COC(=O)c1ccc(C(=O)OC)c(NCc2cccc(OC)c2O)c1
|
COc1ccc2nc(CC[NH2+]CCC[NH+](C)C)[nH]c2c1
|
CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)CCC(=O)OCc3ccccc3)c3cc(C(=O)OCc4ccccc4)ccc32)cc1
|
Cc1cc(NC(=O)C[NH+]2CCCC(C3CCC[NH2+]3)C2)on1
|
Cc1nc(c2nc(c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(C(=O)NCC[NH+](C)C)c1
|
OCC1(Nc2cc[nH+]cc2Br)CCCCC1
|
CC(=O)N1CC(Nc2ccc3oc(c4ccc(C(C)C)cc4)cc(=O)c3c2)=CC1=O
|
COC(=O)C(C)c1c(C)cn2cc(F)ccc12
|
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