Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1cccc2nsnc12
CCCN(CC1CC1)C(=O)c1ccccc1NN
Cc1cccc[n+]1NC(N)=O
[NH3+]CC1Cc2ccccc2N1c1ccccc1
Cc1ccc(N2C3CCC2C(C(=O)[O-])C3)c([N+](=O)[O-])c1
CC[NH2+]C(c1ccc(Cl)cc1)C(C)(CC)N1CCCCC1
CCC(C)C(=O)N(CCCC(=O)[O-])C(C)C
COC1(C(F)(F)F)CCc2cccc(O)c21
CCOC(=O)C(C)(C)[NH2+]CCC(C)(C)C
CN(CC1CCCO1)C(C[NH3+])c1ccc(I)cc1
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(C)C)c(OC)c3)c(=O)n2C1c1ccccc1Cl
Cc1nc(CC(C)C)c(C(=O)N2CCc3c(nnn3c3ccccc3)C2)s1
CC[NH2+]CC1CCCCCC1CCCOCCOC
COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2sc(C(=O)OCCOc3ccccc3)c(C)c2c1=O
O=C(C1CCOc2ccccc21)N1CCOCC(F)(F)C1
COc1ccccc1CN(Cc1cccs1)C(=O)CSc1ccc(F)c(F)c1
CCCCCCC(=O)OC(CC(=O)OCC(=O)C1(OC(=O)CCCC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)C(=O)[O-]
CC(CNC(=O)Nc1ccccc1)[NH+](C)CC1CCCN1C
COc1ccc(CNc2cc(Nc3cc(C)ccc3OC)ncn2)cc1
COC(=O)c1ccnc(NC2CCSC2)c1
CCN(CC(=O)NC)C(=O)c1ccc(C#CCCO)s1
Cc1oc(c2ccccc2)nc1CCOc1cccc2c1ccn2CC(C(=O)[O-])n1cccc1
CCC(C)NC(=O)C=Cc1ccc(OCC#N)c(OC)c1
CC(=O)CN(CC(C)=O)C(=O)C[n+]1ccn2c1C[N+]1(CCc3ccc(SOON)cc3)Cc3n(cc[n+]3CC(=O)N(CC(C)=O)CC(C)=O)C21
Cc1cc(C)cc(C[NH+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c1
Nc1nc(CC(=O)NCC2CCCC2CO)cs1
O=C(c1ccc2[nH]c(=O)[nH]c2c1)C1CC[NH2+]CC1
O=C([O-])C=CC[NH+](CCCO)C1CCC1
CC1(C)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1
Cc1cc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1F
CC(Cc1ccc2ccncc2c1)C(=O)[O-]
CSc1ccc(OC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)cc1
CCOP(=O)(Cc1ccc(Cn2c(OC)nc3c(N)nc(OCCOC)nc32)cc1)OCC
Nc1ccc(Br)c(S(=O)(=O)NCCC2CCC2)c1
CCC(CC(N)=[NH+]O)[NH2+]C1CCCSC1
C=CCOP(=O)([O-])OP(=O)([O-])OC(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
CC(C)Cn1c(C[NH3+])nnc1Cc1ccc(Br)cc1
CCCCn1c(C[NH+](CCCC)Cc2c(Cl)cccc2Cl)c(c2ccccc2)nc1c1ccccc1
Cc1noc(C)c1CS(=O)CC(=O)Nc1ccc(Br)cc1
CC(C)(C)[NH+]=C(N)Nc1cnn(Cc2ccccc2)c1
CC[NH2+]CC(Cc1cnc(C)s1)Cc1ccccc1F
CCN(CC)C(=O)CCNC(=O)C1(C[NH3+])CCC1
CC=C(N[O-])c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1
Cc1cccc(n2nc(N)c(CCC[NH3+])c2N)c1
O=C(NCc1ccc(F)cc1F)c1ccoc1Cl
COC(=O)c1cn(C)cc(B2OC(C)(C)C(C)(C)O2)c1=O
CCC(C)[NH2+]CCN1CC(C)OCC1C
CC(C)C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)C1c1cccc2ccccc12
C[NH2+]C(Cc1ccc2c(c1)OCCO2)CN1CCCC1COC
COc1ccc(C(=O)[O-])cc1NC(=O)COc1c(C)cc(Br)cc1Br
COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1OC
COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(=O)c1ccccc1F
CNc1ncccc1c1cc(C2CCN2c2nc(C)cc(Nc3cc(C)[nH]n3)n2)on1
CCC(C)Oc1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
COC(=O)c1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1
CC1(C)CC(NC(=O)c2ccc3c(c2)NCC3)CCO1
O=C(Oc1c(=O)c2cc(Cl)ccc2oc1c1ccccc1)c1ccccc1
Cc1sc2nc(SC(C)C(=O)Nc3ccc(F)c(F)c3F)n(C3CCCC3)c(=O)c2c1C
CCOC(=O)C1CCCN1S(=O)(=O)NCC(C)O
CN(CCNC(=O)C1CC2CCCCC2[NH2+]1)c1ccccc1
CCCOC(=O)CCCCCCCCCC(CC)C(CC)C(=O)OCCC
CCCC(C)CC([NH2+]C)c1cc(C)c(Br)s1
Cc1nn(C)c(C)c1OCCNc1ccccc1Br
Cc1nn(C)c(C)c1CCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
Nc1cnc(Nc2ccc(OC(F)(F)F)c(Br)c2)c(Cl)c1
CCC(C)[NH2+]Cc1csc(CC2CC2)n1
CCOC(=O)Nc1c[n+](N2CCN(CCCCCCCCC(=O)c3ccccc3)CC2)no1
Cc1cc(C)cc(C(=O)C(C)CC(CCC2N(S(C)(=O)=O)c3ccccc3C23CC[NH2+]CC3)c2ccc(Cl)c(Cl)c2)c1
Cc1[nH+]cc2sc(CC(=O)[O-])c(C)n12
C[NH+]1CCCC2CCCC(O)C21
CCCCCCC(C)C1([SiH3])CCCCO1
CCOc1ccc(C(=O)NCc2cn[nH]c2c2ccc(F)cc2)o1
Cc1ccc(F)cc1Oc1ccc(Br)cc1[N+](=O)[O-]
CCC(CCO)Nc1nc(C(F)(F)F)ccc1C#N
CC(C)C1CCC[NH+](Cc2ccc(F)cc2C(N)=S)CC1
NC(=[NH2+])NCCCCC([NH3+])C(=O)NC(CCCCNC(N)=[NH2+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(N)=[NH2+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(N)=[NH2+])C(=O)NC(CCCCNC(N)=[NH2+])C(N)=O
CC(C)(C#N)CNCc1ccc(Br)cc1F
CCc1ccc(NC(=O)Cn2c(=O)n(c3ccccc3)c(=O)c3sccc32)cc1
CCC(C1CC1)[NH+]1CC(CCO)CC(NCC(F)(F)F)C1
CCCCN(C)c1c(F)cc(CO)cc1F
CCCCCc1ccc2c(c1)CN1CC[NH2+]C(C)C21
Cc1nn(c2ccc(F)cc2)c(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(c3ccc(OC)cc3)n1C)n2C
CC(C)(CNC(=O)C([NH3+])CCC(=O)[O-])C(N)=O
CC1C=c2scnc2=CC1
Cc1ccc(C#Cc2cc(C#Cc3ccccc3)cc(C#Cc3ccccc3)c2)cc1
CCn1nc(c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c2c(c1=O)CCCC2
Cc1cc2c(OC(=O)OC(C)(C)C)c3c(c(c4ccc(C#N)cc4)c2cc1C)C(=O)OC3
Cn1nccc1C[NH2+]CC1Cc2ccccc2S1
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)Cc1c[nH]c2ccccc12
CC([NH3+])(C(N)=O)c1ccc(N)cc1
Cn1ccnc1C(NN)c1c(Cl)cccc1Cl
COc1ccc(NC(=O)C(C)Sc2nnc(N3CCCCC3)n2c2ccc(C)cc2)cc1OC
Cc1cnc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cn1
CC(=CCC[NH2+]C1CC1)CC1CCCN(S(C)(=O)=O)C1
CCOC(=O)Cn1c(=NC(N)=[NH2+])sc2cc(O)ccc21
NCc1[nH]c(c2ccccc2C(F)(F)F)c[nH+]1
CC1CCCN(C(=O)c2ccc(NC(=O)CNC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)N5CCOCC5)ccc4Cl)CC3)cc2Cl)C1
COCCOCCOc1ccc(OC)cc1C[NH2+]C1CC1
CCN(c1cccc(C)c1)c1cc(NC2CCCCC2)nc(C)n1