Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
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1
smiles
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7
778
CC1Sc2ccc(C[NH+]=C(N)N)cc2NC1=O
c1cc2ccc1Cc1ccc(cc1)NCCCCNc1ccc(cc1)Cc1ccc(cc1)NCCCCN2
CCOCCCOc1ccc(Cl)cc1C(=O)[O-]
CC(=Cc1csc(CO)n1)C1OC(=O)CCC(C)(C)C(=O)C(C)CC(C)CCCC2OC2(O)C1O
Cc1cc(Br)c(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCCC(C)C4)ccc3Cl)CC2)cc1C
CCC1(Cn2c(=S)[nH]c3ccc(Cl)cc32)CC1
CC1(c2ccccc2)C(=O)N(S(=O)(=O)C(F)(F)F)C1c1ccccc1
C[NH2+]C1CNC(=O)C2(C(C)=O)CCCN2C1=O
CC[NH2+]CCc1cc(C#N)ccn1
COc1ccc(C)cc1C(=O)C1(CO)CC1
CN1C(=O)C(CCC2CCCCC2)(CC2CCCC(NC(=O)c3cc[nH]c(=O)c3)C2)[NH+]=C1N
CCC(CC)CCc1ccc(O)c2c1CC1(C)CC3(C)C(C(C)C)C(C)=C(C(C)=O)C(=O)C3(O)C(=O)C1=C2[O-]
COc1ccc(C(=O)Nc2ccc(c3nc(C4C[NH2+]CCN4C)no3)s2)cc1
CNc1cc(C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cn1
CC(C)(C(N)=[NH2+])S(=O)(=O)CC1CCOc2ccc(NC(=O)C(F)F)cc21
Cc1cc2oc(=O)cc(Cn3ccsc3=N)c2cc1C
CCC(c1nc(CC2CCOC2)no1)C(C)[NH2+]C
[NH3+]CC1(C[NH3+])CC(F)(F)C1
CC1OCCC12CCC(CC[NH3+])O2
CN(c1ncnc2c1c(c1ccccc1)cn2c1ccc(Br)cc1)C1CCCCC1
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(c2ccc(CO)o2)c(C)c1
CCC[NH+]1CCOC(c2nc(=S)c3c([nH]2)CCCC3)C1
CCCC(=O)NC(=S)Nc1ccc(c2nc3ccccc3o2)cc1
Cc1c(C(=O)NC(C)(C)C)c(C(F)(F)F)nn1c1ccccc1
Fc1cc(Br)ccc1N=Cc1ccccn1
CC[NH2+]C(CSc1ccccc1F)c1cc(C)cc(C)c1
O=C(Nc1ccccc1O)c1ccn(COc2ccccc2Cl)n1
CCN(c1cccc(F)c1)c1nnc(C)c(C)c1C[NH3+]
CCCCCCCCCCCC(=O)C(C#N)CC
CC(NC(=O)C1CCCC1)C(=O)NC(C(=O)[O-])c1ccc2ccccc2c1
CCNC(=NCC(C)(C)[NH2+]C(C)c1ccccc1)N(C)CC(=O)NC(C)(C)C
CCC[NH+](CC)CC1(C)CC[NH2+]C1
COCC1(O)CCC(OC)CC1
O=C(c1cc(Br)c(Br)s1)N1CCc2ccc(O)cc2C1
COc1ccccc1C(C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
CC(C)(C)OC(=O)NCC1CCC(C(=O)NCC(c2ccccc2)c2nccc(c3ccccc3)n2)CC1
CC1(C)C[NH+](Cc2ccc(Br)c(Cl)c2)CCC1[NH3+]
CC(=O)NCCSCC(O)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)C2C(=O)CC2C1
O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)NCC1CCCO1)OCO3
CC(C)c1nc(Br)nc(Cl)c1Br
CCCC[NH+](CC)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1
CCOc1ccccc1NC(=O)C[NH+]1CCN(Cc2cccc(F)c2)CC1
CCn1cc(CNC(=S)Nc2cc(C)n(Cc3ccccc3F)n2)cn1
COC(C)C(=O)N1CCn2c(C)ccc2C1C
CCCc1nc(NN)c(C)c(Oc2ccc(F)cc2F)n1
CC(C)(C)c1cccc2cc(C(O)C3CC3)oc12
Cc1c(C)c2cc(C=Cc3ccccc3)ccc2c2ccc(C=Cc3ccccc3)cc12
CCCCc1ccc(N(CC)C(C)=O)cc1C(F)(F)F
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC(F)F
Cc1ccc(OCC(C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1
Cc1ccc2c(c1)CCCN2c1c(C)cccc1C[NH3+]
Fc1ccc(C(Br)Cc2ccccc2)cc1Cl
CC(C)(C)C([NH3+])=CC(=O)C(F)F
CCCn1nc(c2n[nH]c(=S)n2N)cc1C
CC(C)c1[nH]c(=O)[nH]c(=O)c1N1CCN(CC(O)C(F)(F)F)CC1
C#CCCCC(NN)c1cc(Cl)ccc1OC
COc1ccc(S(=O)(=O)Nc2c3ccccc3nc3ccccc23)cc1[N+](=O)[O-]
Cc1ccc(c2nc3c(nc2c2cc4ccccc4c4c5ccccc5c5c6cc7ccccc7cc6sc5c24)sc2ccccc23)cc1
Cc1cc2oc3c(C(=O)NCC4CCC5CC4C5(C)C)nn(c4ccc(Cl)cc4Cl)c3c2s1
CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCOC(c3ccccc3)C2)cc1
CCCOc1ccccc1NCc1cn2ccccc2[nH+]1
c1cc(Cn2ccnn2)cc(c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1
Fc1cccc(Cn2cnc3ccc(c4cc(NC5CCC56CC[NH2+]C6)ncc4Cl)cc32)c1
CC1OC(=O)C([NH3+])CCCC(Cc2ccccc2)C1c1ccccc1
CC(C)(C)OC(=O)NCC1CN(C(=O)OCCOc2ccc(Cl)cc2)C1
CCCCCCCCCCCCCO[Si]1(C)CCC1
CC[NH+](CC)C(C)CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1
CCC(CC(C)C1CC1)CC(C)(C)C
CCNC(=O)CNC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O
C[NH2+]C1CCC(Nc2ncnc(OC)c2[N+](=O)[O-])CC1
C=CC(=O)NC1CC(CO)N(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1
O=C(NN=Cc1ccc(O)cc1O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2
CCn1c(=O)c(c2ccc(C3CCOC3)s2)cc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21
Cc1cccc(C(=O)Nc2cccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)Nc5ccccc5)ccc4Cl)CC3)c2)c1
C1=Cc2c(c(c3ccccc3)c(c3ccccc3)c3ccccc23)C=CC1
CCOc1cc(Br)c(N)c([N+](=O)[O-])c1
C[NH2+]C(CSC(C)C)Cc1cccc(F)c1
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC1C1OCCO1
Nn1c(SCCCN2C(=O)c3ccccc3C2=O)nnc1c1ccco1
CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)nnc1c1ccccc1O
CC([NH3+])C(=O)NCCn1cnc2ccccc21
CCC1CN(C(=O)c2ccc(O)c(Cl)c2)CCC(=O)N1Cc1ccccc1
CCc1cc(=O)n2nc(NC(C)c3cc(OC)ccc3O)sc2n1
CC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(C(=N)C2=C([NH3+])C(C3CCC(CC(=O)[O-])CC3)CS2)cc1
c1ccc(n2c3ccccc3c3cc(c4ccc5c(c4)c4ccccc4n5c4ccc5c6ccc(c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)cc6c6ccccc6c5c4)ccc32)cc1
COc1cncc(c2ccc(C(=O)[O-])cc2OC)c1
COc1cc2sc(C(=O)Nc3nn[n-]n3)c(OCC(C)c3ccccc3)c2cc1OC
CC(C)(C)c1ccc(C(=O)NCCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1
C=C(C)CNC(=O)C1C2C3CCC(C3)C12
Cc1ccc(S(=O)(=O)n2cnc(c3ccccc3)n2)cc1
O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2
CCc1c(C(=O)[O-])c2ccc(O)cc2n1C
NC(=O)c1cc(Cl)nnc1N1CCC(c2noc(C3CC3)n2)CC1
CC([NH3+])(CC1OCCc2ccccc21)c1ccc(F)cc1
CCCCn1nc(C)c(CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C
CC(C)(C)[NH2+]CCCCCOc1ccc(C(C)(C)C)cc1
N#Cc1cc(Cn2ccc3cc(F)ccc32)ccc1F
Cc1cc(C(=O)NCC2CCC[NH+]2C)nc2c1c(=O)n(C)c(=O)n2C
CNC(=O)C(C)CN(C)C(=O)c1cncc(C#CCO)c1
CC(C)=CCCC1(C)C=Cc2c(c(CC=C(C)C)c3c(c2OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(=O)C2C([NH+]4CCOCC4)C4CC5C(C)(C)OC(CC=C(C)C(=O)N6CCCCC6)(C4=O)C25O3)O1