smiles
stringlengths 7
778
|
|---|
CCc1ccc(C[NH+](Cc2cccnc2)Cc2c(OC)cccc2OC)cc1
|
CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1
|
Nc1cc(C(F)F)[nH+]c(Cl)c1C[NH3+]
|
CS(=O)(=O)N(CC(=O)Nc1ccc(c2nnc3n2CCCCC3)cc1)c1cccc(Cl)c1
|
COc1ccccc1c1nn2c(=O)cc(C[NH+]3CCN(C(=O)c4ccc(C)cc4)CC3)nc2s1
|
OCC[NH+]1CCC([NH+]2CCCCC2)CC1
|
CSC(C)CC(=O)N(C)C(C)(C)C(=O)[O-]
|
CCOc1ccc(CCNC(NCc2ccc(Cn3ccnc3)cc2)=[NH+]C)cc1OCC
|
CC[NH+]1CCN(c2nc3c(cc2C=O)c(C)nn3C)CC1
|
COc1ccc(OC)c(C(=O)c2ccc(C(=O)NCC3Cc4cccc(c5cnccn5)c4O3)cc2)c1
|
Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1
|
CCCCCCCCCCC=CCCCCCCC(CC(=O)[O-])C(=O)N(CC)CC
|
C=CCN(C(=O)OCc1ccccc1)C(C=C)c1ccccc1
|
CC(C)CC(C)(C)S(C)(=O)=O
|
Cc1cccnc1NC(C)CCC(C)C
|
COC(C)[NH2+]CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
|
CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(n3ccnc3)cc2)CC1
|
O=C(CC1CCCCC1)c1ccnc(c2ccccc2)c1C(=O)[O-]
|
Cc1ncccc1C(=O)N1CCC(c2ccccc2F)S(=O)(=O)CC1
|
CCCCOC1=C(Cl)CC(CC[NH+]=C(N)C(=O)NCC=CC(Oc2ccnc3cc(OCC4CC[NH2+]CC4)c(OC)cc23)C(F)CC)C=C1
|
N#CC(C#N)(CCC(F)(F)F)CCC(F)(F)F
|
CCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1
|
O=C(NCCCOCCCl)C1CCC2CCCCC2C1
|
COc1cc(Nc2nc3ccc(C)cc3c(c3ccccc3)n2)cc(OC)c1OC
|
CC(C)[NH2+]CCOc1cccc(F)c1
|
CC(C)(C)OOC(C[N+](=O)[O-])C(O[Si](C)(C)C(C)(C)C)c1ccccc1
|
Cc1ccccc1c1cc(C(=O)Nc2ccc(Br)cc2Br)c2ccccc2n1
|
COCc1c(C(=O)N2CC[NH+](C)CC2C)sc2cccc(F)c12
|
CCc1ccc(C2CC([NH3+])c3cc(Cl)ccc3O2)cc1
|
CC(=O)c1ccc(N2CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)c(F)c1
|
CC(C)c1c(=O)nc[nH]c1c1cccc(Br)c1F
|
Clc1ccc2c(C[NH2+]CC3CC=CCC3)c[nH]c2c1
|
CC(O)(COCc1cccc(Br)c1)C(=O)[O-]
|
CC[NH+](CC)CCOc1cc(F)c2c(c3ccc(O)c(Cl)c3)nc3n[nH]c(C)c3c2c1OC
|
Cc1ccc(CSc2nn3cc(c4ccc(Cl)cc4)[nH+]c3s2)cc1
|
Cc1ccc(Cl)cc1Oc1nc2ccccc2cc1CBr
|
CC(NC(=O)C1CCCC(C(F)(F)F)C1)C1CCCC[NH2+]1
|
COc1cc(N)cc2oncc12
|
CCCCOC(=O)c1cc(CBr)nc(C(F)(F)F)n1
|
CCC(C)C(NC(=O)C1CCCN1C(=O)C([NH3+])CC(N)=O)C(=O)[O-]
|
Cc1noc(C)c1C[NH+]1CC(OCC2CC2)C2COCC21
|
C[NH+]1CCC(C(CO)c2ccc(Br)cc2)CC1
|
CC1CC(C)CN(C(=O)COC(=O)C=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1
|
NC(=O)c1[nH]cc(CCC2CC2)c1N
|
CC(NC(=O)C[NH3+])P([O-])O
|
CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc(C)c1
|
C=CCOC(=O)c1sc(NC(=O)c2c(C)nc3cc(C)ccn23)c(C(=O)OCC)c1C
|
Cc1cc(C(=O)N2C(C)SCC2C(=O)[O-])sc1Br
|
COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)C3c3cccc(C)c3)oc12
|
CN(CCC#N)C(=O)Cn1ccnc1c1cccs1
|
CC1CCCC1(O)CNS(C)(=O)=O
|
Cc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)CCc1cc2ccccc2[nH]1
|
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NCCS)o2)c1
|
CCOC(=O)C1([NH2+]C)CCCC(Oc2ccc(F)cc2)C1
|
CCNC(=O)C(C)OC(=O)c1ccc(Br)cc1
|
CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(F)cc2)CC1
|
CCC(N)C(CI)C(F)(F)F
|
CCNC(=O)Nc1cc(CS(=O)(=O)OC)c(c2cncc(c3n[nH]c(=O)o3)c2)cn1
|
CC(C)(C)OC(=O)NC(Cc1ccc(Oc2cc(CC(NC(=O)OCc3ccccc3)C(=O)[O-])ccc2OCc2ccccc2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
|
c1ccc(c2ccc(N(c3ccc(c4cccc(c5cccc6c7cccc(c8ccccc8)c7oc56)c4)cc3)c3cc(c4ccncc4)cc4ccccc34)cc2)cc1
|
N#Cc1ccncc1N1CCC(OCCO)CC1
|
C=C1CCC(O[Si](C)(C)C(C)(C)C)C1C1(C(=O)[O-])CCCCC1
|
CCC1(CNC(=O)N2CCOCC2C(=O)[O-])CCCC1
|
COC(=O)C(C1CC1)n1cnc2cc(F)c(F)cc21
|
C=C(CCC=C(C)C)C1CC(O)C(C)(O)C(O)C1=O
|
CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(C)C(C)C)C1=O
|
COc1cnc(C(=O)CCc2cccc(C)c2)c(OC)n1
|
O=C1CN(c2nnnn2c2ccccc2)CCN1
|
COC(=O)CCc1c[nH]c2c1CCC=C2
|
COc1ccc(C)cc1CC(O)c1c(Cl)cccc1OC
|
CCC([NH3+])C(c1ccccc1OC)N(C)CCO
|
CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(c3ccncc3)n2Cc2ccccc2)cc1
|
COc1cccc(C(=O)Oc2ccc3c(c2)OC([NH3+])=C(C#N)C3c2ccc(OCc3ccccc3)c(OC)c2)c1
|
NC(=[NH+]O)c1cccc(OCc2ccccc2Cl)c1
|
Cc1ccccc1C(=O)N(C)C(c1ccccc1)c1ccc(F)cc1
|
C=C(CC)COc1c(C)cc(C[NH2+]CCC)cc1C
|
CCC(C)(C)c1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1
|
CC(C[NH3+])C(=O)NCCOc1ccc(F)cc1F
|
Cc1cccc(C)c1C[NH2+]C(CCl)Cc1ccccc1
|
COCC[NH2+]C(O)c1cccc(C)c1
|
Cn1nc(C(N)=O)c2cc(F)ccc21
|
O=C(CCCc1ccccn1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1
|
C=CCc1cc(C(=O)NC(C)c2nc(C(C)C)no2)ccc1OC
|
Cc1cccc(NCC2(CS(C)(=O)=O)CC2)n1
|
CC(NC(=O)C(C)NC(=O)C(CC(=O)[O-])NC(=O)C([NH3+])C(C)O)C(=O)[O-]
|
Cc1ccc(C2SC(=Nc3ccccc3)C2(C)C)cc1
|
CCOc1ccc(c2cc(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)cn2)cc1
|
NNc1ncc(Br)cc1C(=O)NCC1CCCCC1
|
Nc1sc2c([S-])cccc2c1CBr
|
CN(C)C(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1
|
CC1(C)CCCC1c1[nH]nc(N)c1c1cccnc1
|
CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3C[NH2+]C(C(=O)NCc4[nH]c(S(N)(=O)=O)c[nH+]4)C3)C(C)C12
|
CC(C[NH3+])CS(=O)CC(=O)NC1CCCCC1
|
COc1ccc(n2nc(C)cc2C)c(CO)c1
|
COc1ccc(c2nc3n(c2N)CCC(C)C3)cc1
|
CCC(=Cc1cccc(Cl)c1Cl)C[NH2+]C(C)C
|
CCOC(=O)C1=C2C=C(OCC)C=CC2OC1c1ccccc1
|
O=C(Nc1cccc(c2ccc(C(=O)[O-])cc2)c1)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
|
CCOc1ccc(OCC)c(NC(C)C(=O)Nc2ccccc2C)c1
|
CC1(F)C(O)C(CO)OC1n1cc(C#Cc2ccccc2)c2c(N)ncnc21
|
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