Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CCOc1ccc(n2c(c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1
Nc1cc2c(cn1)[nH]cc2c1cc(C(=O)NCc2cccs2)c2[nH]ncc2c1
COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1Br
CC(C)C(=O)NC(C)C(=O)N1CC[NH+](CCCOc2ccc(c3noc(c4ccccc4)n3)c(F)c2)CC1
CC([NH3+])c1nc2cc(Br)c(F)cc2[nH]1
O=C(NCC1CC=CCC1)N1CC[NH+](CC2CC2)CC1
C=CCN1C(=O)C(=Cc2ccc(O)c(C)c2)C(=O)NC1=S
c1ccc2c(c1)c1ccnc(c3ccsc3)c1n2CCn1c2ccccc2c2ccnc(c3ccsc3)c21
CN(CC[NH+](C)C)C(=O)C[NH2+]C1CC1
CC(C)Oc1ccc(c2nc(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cs2)cc1
CC(C)(CNCc1ccc(I)cc1)S(C)(=O)=O
Cc1ccc(F)cc1NC(=O)CSc1nnc(C(C)Oc2ccc(F)cc2)n1C(C)C
Cn1cc(CC(O)C2CCCOC2)cn1
CCC1=CC=CC(NC(=O)OC(C)(C)C)C1
CCNc1ncc(Br)c(Nc2cc(Cl)ccc2F)n1
Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)N5CCC(C)CC5)ccc4C)CC3)c2)cc1
CC1CCC[NH+](CCNC(=O)c2ccoc2)C1
Cc1cc(Cl)ccc1NC(=O)C12CC3CC(C1)CC(n1cnc(Cl)n1)(C3)C2
Cc1nc(C2CCN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)C2)n[nH]1
CCCc1ccc(C(=O)NCC(C)[NH2+]C)cc1
CC1(C)C(=O)CCN1C(=O)c1cccc(Br)c1
CCCCC1OC(OC)C2C(C)C(=O)OC12
CC(C)=CC1C(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)C1(C)C
CCCc1nc(C2CSC(C)C(C)S2)sc1C[NH2+]CC
CCC(C)Nc1cncc(C(=O)N2CCN(C=O)CC2)c1
O=C(Nc1ccc2c(c1)OCO2)N1CC2CC[NH2+]CC2C1
CC(C)CC1CC1NC(=O)NC1CCc2nc[nH]c2C1
Cc1ccc2c(NS(=O)(=O)Cc3ccc(Cl)cc3)c(F)ccc2c1Oc1ncccc1c1ccnc(NC2CCCN(C(=O)OC(C)(C)C)C2)n1
O=S(=O)(NCC1CCC[NH2+]1)c1cc(Br)ccc1F
COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c(OC)c1
Cc1ccc(C#N)c(Cn2nc(C(F)(F)F)c(c3c(C(N)=O)nc4cc(F)ccc4c3C(N)=O)c2C)c1
O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1OC(F)F
CNC1(C#N)CCC(Sc2nc3ccccc3[nH]2)C1
O=C(CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc(F)cc1)Cc1cccs1
Cc1cccc(OCCC[NH+]2CCCC(C3CC(C(F)F)n4ncnc4N3)C2)c1
C#CCCC1(CCC#C)CCC(=O)C1
CCCCCCC=CCCCCCCCC(=O)Cl
CCCC(O)C1(CO[Si](C)(C)C(C)(C)C)CC=NN1
CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)cc1
CCCCCCCCc1ccc(c2ccc(Br)cn2)s1
CC(C)C(=O)COCCOCCOCC[NH+](C)C(C)C
CCOCCOCC(=O)Nc1ccc(OC)cc1Cl
O=C(COC(=O)c1ccc2noc(c3ccccc3)c2c1)NC1CCCC1
CCS(=O)(=O)CCC1(C[NH2+]C)CCOC1C1CC1
CC(=O)N1CC[NH+](CC(=O)C2CCCCC[NH2+]2)CC1
O=C([O-])c1cccc(NCC2CCC[NH2+]C2)c1
CCONCc1csc(CC)n1
Cc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c4c(c2)C(C)(C)c2cccc5c2N4c2c(cccc2C3(C)C)C5(C)C)c1
CCC(C(=O)Nc1ccc(C2NC(=S)N(CC)C(C)=C2C(=O)OCCOC)cc1)c1ccccc1
CC(NC(N)=O)C(=O)NCC([NH3+])c1ccc(C(C)C)cc1
O=C([O-])c1ccc(NC(=O)c2cccc(Cl)c2NOc2ccc(Cl)cc2)cc1
C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)sc2cc(OCC)ccc21
Cc1nc(C(F)(F)F)ccc1C(=O)NC1CC[NH+](C2CCN(C)C2=O)CC1
Cc1ccc(C(CNC(=O)C2CC(c3ccccc3)=NO2)[NH+]2CCOCC2)cc1
CCNC(NC(C)CC)=[NH+]CC(=O)N(CC)Cc1ccccc1
Cc1c(Cl)cccc1NCC(O)Cn1c2ccc(I)cc2c2cc(I)ccc21
Cc1[nH]c2ccccc2c1C1C(CCNC(=O)c2ccccc2)C1(C)C
O=C(NCCc1ccc2c(c1)OCCO2)c1ccoc1Br
Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cccc(F)c3)CC2)cccc1C(=O)Nc1ccccc1F
Nc1ccccc1N(CCO)S(=O)(=O)N1CCCC1
Cc1cc2c(cc1Oc1ccc(C(=O)NCc3nc4ccccc4[nH]3)o1)C(C)(C)CCO2
CCC[NH2+]C(C=C(C)C)c1cc(F)c(F)c(F)c1
Cc1ccc(OS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1
Cc1cc(C)cc(c2[nH]ncc2C[NH2+]C2CC2)c1
CC#CCCC(CSc1ccc(C)cc1)[NH2+]C
COC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Cc1nn2c(cc1Cc1ccccc1)nnc2c1ccccc1
Cc1cc(F)ccc1c1ccc(C[NH+]2CCC(O)C2)o1
COC1(NC(=O)COc2ccccc2)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(CBr)CSC21
CC1CC(C)CN(C(=O)N2CCCC(NC(=O)COc3ccccc3Cl)C2)C1
COC(=O)c1c(S(=O)(=O)NCC(C)C)sc2c1CCN(C(=O)Cc1ccccc1F)C2
CC(C)(C)[Si](OCCCCCC(O)C12CCCCC1C2I)(c1ccccc1)c1ccccc1
C=CC(C=C)(O[SiH3])C1C2CC3CC(C2)CC1(C)C3
CCN(c1cc2oc(c3ccc(F)cc3)c(C(=O)NC)c2cc1c1cccc(C(=O)NC(C2CC2)C(F)(F)F)c1)S(C)(=O)=O
CCNC(NCCCOCCOC)=[NH+]CC(C)(C)c1ccccc1Cl
CCN(CC(F)(F)F)C(=O)c1cc(N)cc(Cl)c1
COc1ccc(C2c3ccccc3CCN2C(=O)C2CCCCC2)cc1
CC(C)C(=O)NC(NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl
O=C1CN(C(=O)Cn2cnc3sc(c4ccccc4)cc3c2=O)c2ccccc2N1
COC(=O)N1c2ccccc2C2C(=Cc3ccccc3)C3CCC21O3
CC([NH3+])C1CC[NH+](CCSc2ccccc2F)C1
COc1cccc(CC(=O)N(C)C2CCCN(c3ccccn3)C2)c1
CC(C)C(C)N(C)c1ccc(C(=O)[O-])cc1
CC(F)(F)CC[NH+]1CCC(CC=O)CC1
CCCCC([NH2+]CC)c1ccc2c(c1)C(=O)NCCO2
O=C(Nc1ccc(N2CCOCC2)cn1)c1sccc1S(=O)(=O)N1CCCCC1
CNc1[nH]cc(C(=O)c2c(F)ccc(NSc3ccc(C(F)(F)F)cc3)c2F)c1C(N)=[NH+]O
COc1ccc(Cl)c(NCc2c(OC)ncnc2OC)c1
C[NH+]=C(NCCOc1cccc(C)c1)NC(C)C
CCCCCCCCCCCCC[N+]1(CCCCC)CCCC1
CC(C)c1nnsc1C(NN)C1=CCCO1
CC(N[O-])c1ccc(Cc2ccc(N=C=O)cc2)cc1
CCCC(CCCl)CNC(=O)c1cn(C)nc1C
Cc1cc(Cl)ccc1NC(=O)c1nc(C(=O)N2CCCCC2)n2ccccc12
Cc1nonc1COc1ccc2c(c1)CCC2O
c1ccc2cc(c3cc(c4cc5cccccc-5c4)c(c4cc5cccccc-5c4)cc3c3cc4cccccc-4c3)cc-2cc1
CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc(c4ccc(OCC)cc4)nn32)cc1
CC1CNC(=O)C(=O)N1C1CCC[NH2+]C1
CCC(C)(C)NC(=O)N1CCCC(C(=O)[O-])C1
CCNc1cc(COC2CCCCC2CC)ccn1