Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
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Community
1
smiles
stringlengths
7
778
O=C1C(=O)N(c2ccc(F)cc2)C(c2cccc(O)c2)C1=C([O-])c1ccc(Br)cc1
CCC[NH2+]Cc1sc(N(C)Cc2cscn2)nc1C
COC1C[NH+](Cc2ccc(C[NH3+])s2)CCC1C
CCNC(NCC(C)C)=[NH+]Cc1cccc(NC(=O)N2CCCC2)c1
Cc1cc(C)n(c2ccc(Nc3[nH]n(C4(CC#N)CCC(C(=O)[O-])OC4)c4ccnc(=O)c3-4)cc2)n1
CCC1(C)NC(=O)C(C)N(CC(C)C)C1=O
O=C(c1ccccc1)N1CCC(CNC(=O)C2(O)CCCC2)CC1
CCCC1CCCC(C)N1C(=O)C(OC)(c1ccccc1)C(F)(F)F
C=C1CCCCC=C2CCCC2=C1NC(=O)NS(=O)(=O)c1ncn[nH]1
CCOc1cc(C)nc(OC2CCC([NH3+])C2)n1
COc1cc(C)c(Br)cc1C(Br)c1ccc(I)cc1
Cc1ccc(NC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c([N+](=O)[O-])c1
CC(C)CN(C1CCCC1)C(CC#N)c1ccccc1
CC1CCC([NH2+]C2CCc3cc(F)ccc32)CC1
COc1ccc(C)cc1C(=O)OC(C)C(=O)Nc1cccc(Cl)c1C
C=CC(=O)OCCCCCCCCCCCOc1ccc(C(=O)Cl)cc1
S=C(NN=Cc1c[nH]c2ccccc12)Nc1ccccc1
CC(CO)C1CCC2C3CCC4C=C(C(=O)[O-])CCC4(C)C3CCC12C
O=C(NC(O)C1CCCCC1)c1cc(Sc2ccnc(Cl)n2)ccc1Cl
Cc1ccc(Oc2cccc(Cl)c2C#N)c([N+](=O)[O-])c1
CC(CC(=O)NCC1CCCC1[NH3+])C(C)(C)C
CCNC(=O)COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1
CN1c2ccc(Cl)cc2OCC1CCC[NH3+]
CCC[NH2+]C(Cc1cc(F)ccc1Br)C1CCCOC1
CC(=O)Nc1ccc(OCC(=O)NC2CCCC2)nc1
CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)cc1
CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1c1ccccc1F
CCC(C(=O)[O-])N(CC)C(C)=O
CCn1ccn(Cc2ccc(Cl)c(N)c2)c1=O
Cc1ccc(n2[nH]c(=O)c(C=O)c2[O-])cc1
CC1CN(C(=O)c2ccc(n3cnnc3)cc2)CCC1(F)F
CC(C)CCC(C)NNC(=O)OC(C)(C)C
O=C(NCc1ccc(F)cc1)Nc1nc2c(F)cc(F)cc2s1
Cn1cnc(Oc2ncc(C#N)cc2N)n1
C[NH2+]C(C)c1cccc(F)c1n1ccc(C(=O)N(C)C)n1
O=CC1OC=CC1=CC=Cc1ccccc1
Cc1ccccc1SCc1cn(c2ccc(S(C)(=O)=O)cc2)c(c2cccnc2)[nH+]1
COCC[NH+](CCCl)C1CCCCCC1
COCc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1
CC[NH+](CC)Cc1noc(N)c1c1ccc(OC)c(OC)c1
CNc1nc(N2CCCC(NC(=O)c3ccccc3)C2)cc(c2ccc(C#N)c(F)c2)n1
CCC1([NH2+]Cc2nc[nH]c2C)CCC1
Cc1ccc(c2ccc(C(=O)NC(C)C)o2)cc1Cl
CN(C)c1nc(Cl)nc(c2sccc2Cl)n1
N#Cc1cc(C(F)(F)F)cc(c2cc(n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C#N)cc2n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2F)CC1
Nc1oc2cncc(c3ccccc3)c2c1N
CC[N+](C)(C)CCCNC(=O)c1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1
CCc1csc2c(CBr)cc(OC)cc12
Cc1nccnc1C(C)[NH+]1CCCCC1CCC(=O)[O-]
CCc1ccc(OCc2c(I)cccc2OC(=O)OC)cc1C
Cc1ccnc(CC(Br)C(C)(C)C)c1[N+](=O)[O-]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1
CCOc1ncnc(Oc2cncc(Br)c2)c1N
Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2nc(c3ccccc3)c(c3ccccc3)o2)cc1
CNc1nc(c2ccc(C3CCN(C(=O)CO)CC3)cc2)cc2nccnc12
CC(=O)N1C(=O)C(C)C(=O)C1CS
CC(NC(=O)c1c([O-])c(=O)n(C)c2ccccc12)c1cccc(N2CC[NH2+]CC2)c1
CC(C)(C[NH3+])c1ccn(c2ccccc2[N+](=O)[O-])n1
Cc1ccc(c2cc(C(=O)NC(C)CN3CCS(=O)(=O)CC3)cc(n3nnnc3CC(C)C)c2)cc1
CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(CS)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CS)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(CC(=O)[O-])NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C([NH3+])C(C)O)C(C)C)C(C)CC)C(C)O)C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)[O-])C(C)CC)C(C)O
O=C([O-])c1nn(C(C(=O)N2CCOCC2)c2ccccc2)c(=O)c2ccccc12
Cc1ccc(c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)o2)cc1
CC(C)(C)c1ccc2c(n1)CC([NH3+])C2O
CC1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1C
Cc1ccc(NCC(C)(C)[NH3+])cc1C
Cc1nc(N(C)C(C)CBr)ncc1Br
C=CC(=O)NCc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)OCC)cc1
CCOC1OC(=O)CC1NC(=O)C1CCCN1C(=O)C(NC(=O)c1ccc(NC(C)=O)cc1F)C(C)C
CC([NH3+])Cc1cn(Cc2ccccc2Br)c2ncccc12
COC(=O)CCC(=O)c1cc(C(C)C)c(Oc2nnnn2c2ccccc2)c(C(C)C)c1
Cc1c([O-])c(C)c(c2cc3cc(OCCCc4ccccc4)ccc3o2)oc1=O
C=CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2O)cc1
Cc1nc(=O)cc(C2(C)CCCN(c3cnccn3)C2)[nH]1
COc1cccc(Oc2cc(Br)c(F)cc2Cl)c1
Fc1ccc(C2(S)COC2)cc1Cl
CSC(C)(C)C(=O)ONC1=CC(C)Sc2ccccc21
CS(=O)Cc1ccccc1C(=O)c1cnoc1C1CC1
CCN1C(=O)C(=Cc2ccc(Br)cc2)C(C(=O)OC)=C1C
CCOCC[NH+](CC)CC1(CO)CCCCC1
COc1ccccc1N1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1
CCC[NH+]1CCC(CNC(=O)NC2CCCOCC2)C1
CCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O
CC(C)(C)CCOCc1ccc(C(=O)[O-])s1
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1
Cc1nnsc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2
CCCNC(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1
Cn1c(C(=O)Nc2cccc(COC3CCCCC3)c2)c2n(c1=O)CCCC2
CCCCc1nc(C2([NH3+])CCC(CC)CC2)no1
CCCCS(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1OC
CC(C)NC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1
Cc1cc(F)ccc1c1cccnc1N
Cc1cc(c2cncc(CN(c3ccc(F)cc3)C3CC[NH+](Cc4ccnc(c5cc(C)c(C)c(C)c5)c4)CC3)c2)cc(C)c1C
Cc1ccccc1C(=O)NCCCC1CCS(=O)(=O)C1
NNc1c(F)cc(C(=O)NC2CC3CCC2C3)cc1F
CCCC(=O)Cc1ccccc1N
CC(C)C[NH+]1CCCC1CNS(=O)(=O)c1cnn2c1OCCC2
O=[N+]([O-])c1ccccc1COc1ncnc2ccc(Br)cc12
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nccs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OC(C(=O)N1CC[NH+](C)CC1)c1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCOCCOCCNC(=O)CCN2C(=O)CCC2=O)C(C)C)cc1)C(C)C
COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1