Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CC1(C)CN(C(=O)c2ncoc2c2ccc3c(c2)OCCO3)CC2(CCCC2)O1
CC(C)c1csc(CCc2ccn3c(=O)cc[n+](c4noc(=O)[nH]4)c3c2)n1
Cn1ccnc1C[NH+]1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1
CN(C(=O)NCc1ccccc1C[NH+](C)C)C1CCCCCC1
O=c1c(OCCCOc2ccc(Cl)cc2)c(c2ccccc2)oc2c(Cl)cc(Cl)cc12
COc1cc2c(cc1OCCF)CC[NH+]1CC(CC(C)C)C(O)CC21
CC(=O)c1ccc(O)c(C[NH+]2CCC2)c1
CCC(C)(O)CNc1cc(S(N)(=O)=O)ccc1N
CCCCOC(=O)c1ccccc1c1ccc(Cn2c(C)cc3cc(C(=O)OC)ccc32)cc1
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C12CC3CC(CC(O)(C3)C1)C2
CCOC(=O)c1sc2ncn(Cc3ccc(S(=O)(=O)N(C)C)o3)c(=O)c2c1C
CC(C)C1CNC(=S)N1CC1CCC[NH+]1CC(Cc1ccccc1)N1CC(Cc2ccccc2)N(CCc2ccccc2)C1=S
CC(C)(C)C(C(=O)OCCOc1ccccc1)C(C)(C)C
COc1cc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc(OC)c1OC
CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(C=Cc2ccc(C=CC4=Nc5ccc(C(=O)[O-])cc5C4(C)C)s2)c(=O)oc31
CC(C=CC([O-])=C1C(=O)CNC1=O)=Cc1ccc2ccccc2c1
CN(CCC(F)(F)F)C(=O)NCc1cccnc1N1CCCCC1
[NH3+]CC1C(c2ccc([N+](=O)[O-])cc2)[NH+]=C2C=CC=CN21
O=C([O-])CC1(CNC(=O)c2cccc(Cl)c2F)CCC1
COC(=O)C1(CCCBr)C=C(OC)CC(OC)=C1
COc1ccc(C(=O)NNC(=O)COC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1OC
CCCCc1ccc(Nc2cccc(N)c2C)cc1
CC1CCCC(C[NH2+]C(C)c2nnc3ccccn23)C1
COc1ccc(c2cc(C(=O)[O-])nn2C)c(OC(C)C)c1OC
COC(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Oc1cccc(OC)c1
CC(N)=[NH+]Oc1nc(Cl)nc(Cl)c1Cl
O=C([O-])C(Nc1cccc(Cl)c1)c1cn(CCO)nn1
C=C(CO)c1ccc2cc(OC)ccc2c1
CC[NH+](CC)CCOCc1cccc(C[NH2+]C(C)(C)C)c1
CC(=Nc1c(C)cc(I)cc1C)c1cccc(C(C)=Nc2c(C)cc(I)cc2C)n1
[NH3+]CCc1cn(C(=O)c2ccc3c(c2)CCC3)cn1
CCCn1ncnc1CCCC([NH2+]C)C(C)C
COc1ccc(C(C[NH3+])Cc2ccc(OC)c(OC)c2)cc1C
COc1ccc2cc(C3(C)NC(=O)N(Cc4ccc(OC)c(F)c4)C3=O)ccc2c1
CC(CCC1CCCCC1)c1ccccn1
CC(C)(C)c1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1
CCOc1cccc(OCCC([NH3+])CO)c1
O=C([O-])CCSc1nnc(c2cccs2)n1c1ccccc1
CCCCCC=CCC=CCC=CCC=CCCCC(=O)N1CCc2cc(O)c(O)cc2C1C
Fc1cccc2c1cccc2c1cccc(C(F)(F)F)c1
CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(F)c1
C[NH+](C)CCCNC(=O)C1CC1C(=O)Nc1ccc(F)cc1F
CCOc1ccc(C(C)NC(=O)C2CC[NH2+]C(C)C2)cc1OCC
CN(C)c1nc(=O)c2c([nH]1)CN(C(=O)c1cn[nH]c1C1CCCCC1)CC2
C[NH+]=C(NCC1C[NH+](C)CCO1)N(C)CCc1cccs1
CCOC(=O)C(CC)[NH+](C)CCC[NH2+]C
OCc1coc(C2CCCN2c2ccc(C3CC3)nn2)n1
CC(C)(C)NC(=O)OCCCNc1cc(NCc2cccc(Cl)c2Cl)c([N+](=O)[O-])cn1
CNc1nnc(C(=O)N(C)CC(C)(C)O)s1
N#Cc1ccc(NC(=O)CN2C(=O)C3CCCN3C(=O)c3ccccc32)cc1
Cn1cnnc1Cn1occc1=O
CC(C)Cn1c(C(C)(C)C)ccc(CO)c1=O
CCOc1ccc2c(c1)C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)CC2
COc1ccc(n2cc(Cl)nc(NCC#Cc3ccccc3)c2=O)cc1
Nc1cc(C(=O)N2CCCC2)n(C2CC2)c1
N#Cc1ccc(C(N2CCCC2=O)N2CCCC2=O)cc1
CCCCCCCCCCCCCCCc1c(O)ccc(O)c1S(=O)(=O)[O-]
CSCC(=O)N1CCC(Nc2cc(c3ccccc3Cl)nc3c(Br)cnn23)CC1
COCC(O)C[NH+]1CCC(NC(=O)C(C)n2cccc2)CC1
COc1ccc(Sc2ccc(C(=O)[O-])c(OC)c2)cc1
CC(C)c1ccccc1OCCCn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
N#CC1=C2[NH+]=C(N)c3ccccc3N2C(=O)C1
Nc1nc(N2CC3CCC[NH2+]C3C2)cc(c2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)n1
CC(=O)N(C1CC1)C(C)(C)C(=O)Nc1nc(c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1
CC(CCO)[NH+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1
CC1CCC(CC2(CO)CCCC2)O1
CCN(CC)c1ncc(N(CC)C(=O)c2ccccc2F)c(NC(Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1
Cc1ccc(C[NH2+]C2CCc3c(c(C(=O)NCC[NH+]4CCOCC4)nn3C)C2)o1
COc1ccc(CN2CC(C(=O)Nc3cc(C)[nH]n3)CC2=O)cc1
Cc1ccc(S(=O)(=O)NC2c3ccccc3CC2OS(=O)C23CC4CC(C2)C2(OCCO2)C(C4)C3)cc1
COC(=O)Cc1cc(=O)nc(SCC(=O)c2ccc(Cl)cc2)[nH]1
C=C(CBr)C(=O)NCCCCCC(=O)NCC(=O)NC(CCCNC(N)=O)C(=O)Nc1cc(F)c(NC(=O)[O-])cc1F
C=CCOC(=O)Nc1ccn(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2(F)F)c(=O)n1
CC1CC2c3ccccc3CCC2CN1[O-]
CC[NH+](C)CCC(=O)Nc1ccc(N)cc1Cl
Cc1ccc(NC(=O)C(C)Sc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
COCCn1nc(C(=O)Nc2cccc(c3ccn[nH]3)c2)ccc1=O
[NH3+]C1CCCc2nc(Nc3ccccc3)ncc21
Cc1cc(N2CCC(Oc3ccc(Br)nc3)C2=O)ccc1OCC(C)(C)O
O=C(CC1CS(=O)(=O)CCN1)Nc1cccc(Cl)c1Br
CC(=O)CCCCn1ncc(Cl)c1C
CCC[NH2+]C(CN1CCCCCC1)c1cccc(OC)c1
Cc1noc(C)c1CCC(=O)N1CCC(n2c(=O)[nH]c3cncnc32)C1
COC(=O)c1c(c2ccc(F)cc2)nc2cc3c(cn12)C(C)CCCN3S(C)(=O)=O
CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccccc2OC(C)C)cc1
O=C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CCc1cc2c(NCc3ccc4c(c3)OCO4)nc(N3CCC(C(=O)[O-])CC3)nc2s1
O=Cc1cccc2sc3ccc(Cl)cc3c12
O=C(Cn1cnnn1)Nc1ccc(c2cn3ccsc3[nH+]2)cc1
COc1cc(Nc2ncc(c3ccccc3CNC(=O)Cn3ccnn3)o2)ccc1c1cnco1
S=c1[nH]c2cc(Cl)ccc2n1C1CC[NH+]2CCCCC12
CCOC(C)C(=O)c1c(C)cc(C)cc1OC
O=C([O-])c1cnc(N2CCC(c3cn[nH]c3)CC2)cn1
O=C1[NH+]=C(N2CCN(c3cccc(Cl)c3)CC2)SC1=Cc1ccc(c2cccc([N+](=O)[O-])c2)o1
O=C(c1ccc(OC(F)(F)F)cc1)N1CCCN(c2ccc(F)cc2)CC1
c1ccc(n2c3ccccc3c3cc(c4ccc5nc(c6ccc7c(c6)c6ccccc6n7c6ccccc6)cc(c6ccc(c7cccc8cccnc87)nc6)c5c4)ccc32)cc1
O=C([O-])CS(=O)Cc1cc(F)ccc1F
CC(C)(C)c1ccc2nc(c3ccc(O)cc3)sc2c1
CCc1nc(C2CC(=O)N(C3CC3)C2)no1
CC(C)Oc1cccc(C[NH+](C)CC(=O)[O-])c1