Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
COc1ccccc1N1CCN(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1
O=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1cc2nc(c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1
CCS(=O)(=O)c1cccc(c2ccc(c3cc(C(C)(C)C#N)nn3c3ccccc3Cl)s2)c1
Cn1c2c(c3ccc(n4ncc(OCc5ccccc5)cc4=O)cc31)C1CCC(C[NH2+]1)C2
C[NH+]=C(NC(C)C(C)[NH+]=C(N)C1CCC[NH2+]1)C1CCC[NH2+]1
CCOC(C[NH3+])C[NH+]1CCC(C(C)(C)C)C1
CCc1cccc(C)c1NCCC(=O)N1CCN(C=O)CC1
CC(C)(C)OC(=O)N1CCN(c2cncnc2C#N)CC1
CCCOP(=O)([O-])Oc1c(CO)cc(C)cc1OC
C=NC(OCC(F)(F)C(F)F)=C(C)C=C(C)Cn1cc2c(C(=O)NCC(O)CO)nccc2n1
CC1C[NH2+]CC(N2CCC([NH+](C)C)CC2)C1
Cc1ccc2nc(C)cc(C(=O)OCC(=O)Nc3ccccc3Cl)c2c1
Cc1ccc(C(C)n2c(C(C)Cl)nc3ccc(F)cc32)s1
CCC(C)(C)C(=O)OC1CC2(C)C1CCC2(C)C
CC[NH2+]Cc1cccnc1Oc1ccc(Br)c(F)c1
CCCOc1cccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3Cl)C2c2ccc(OCCC)c(OC)c2)c1
Cc1cnc(C(=O)N(CCC[NH+]2CCOCC2)CCC(=O)N(CC[NH+](C)C)Cc2ccccc2)cn1
CCc1ccc(NC2NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)S2)cc1
Cn1c(Nc2ccnc(C3CC(O)C3)c2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C
Cc1ccc(c2ccc3sc4c(c5ccc(c6nc7ccccc7o6)cc5)cc(c5ccc(C)cc5)cc4c3c2)cc1
CCCCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1
CS(=O)(=O)C1CCCC([NH+]2CCc3ccc(N)cc3C2)C1
CC1N(C(=O)Nc2cccc3c2CNC3=O)CCOC1(C)C
CCC(C#N)(C(=N)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1
O=C([O-])C(O)=Cc1ccccc1[N+](=O)[O-]
COC(=O)NN=C(C)c1cccc(Br)c1
CN(Cc1cnn(c2ccccc2)c1)C(=O)C1CCCN1C(=O)OC(C)(C)C
CCC(CC)(C(=O)[O-])c1csc(NCC(=O)NC)n1
C=C=C(OP(C)(=O)[O-])OP(=O)([O-])OC(=C=C)OP(=O)([O-])OC1CC(C)OC1C(C)(C)C
O=C(Oc1ccc2ccccc2c1c1c(O)ccc2ccccc21)c1ccccn1
CCN(Cc1cccs1)C(=O)CC[NH2+]C1CC1
Nc1cnc(NC2CCCNC2=O)nc1
CC(=O)c1nc(Nc2cc(Cl)cc(Cl)c2)sc1C
Cc1cccc(OCC(O)CNC(=O)c2ccc(Cl)cn2)c1
CC([NH3+])C(C)C[NH+](C)Cc1ccc(Br)cc1
Cc1ccc(S(=O)N2CCC(F)C2)cc1
CC(O)C([NH3+])CN1CCCOC1=O
CC1CCOC(c2coc3ccccc3c2=O)O1
CON=C(C)C1=C(C)N(CC2CCCO2)C(=CC(=O)c2cc(Cl)ccc2OC)S1
COC1=NC(OC2=NC=CC(C(C)(C)C)=C(Br)C2)C=C(C(C)(C)C)C=C1
CC1=c2c(=O)[nH]c(=O)n(C3CC3)c2=C(C)C([NH+]2CC3CCCC(F)(F)C(O)C3C2)C1F
Cc1ncc(C(=O)N2CCNC(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)c3cc(on3)C2)cn1
NCC([NH3+])C(c1ccc(Cl)cc1)C1CCCC1
C=CC(C)(CBr)Cc1ccn(C2CCCC2)n1
CS(=O)(=O)Nc1ccc(CCO)cc1c1cccs1
CCC(C#N)N1CCC([NH+]2CCC([NH3+])CC2)C1
CCC(CO)Nc1cc(C)[nH+]c(Oc2c(C)cc(Cl)cc2C)c1
CC(C=CC([NH2+]Cc1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C
CC(O)(CNC(=O)C1CCCCC1)c1ccc(Cl)cc1
CCOCC(C)C[NH2+]C1CC1
CCCC1(C(=O)Nc2ccc(C#N)cc2OC)CC[NH2+]C1
CCCNC(=O)CN1CCc2c(N)cccc21
Cc1ccc(NC(C)Cn2cccn2)c(C#N)c1
CC(C)(C)OC(=O)N1C(CCC=C(O)F)COC1(C)C
CCN1CC[NH+](CCCCCBr)CC1
Cc1nc(NC(=O)Cn2cnc(c3cccs3)cc2=O)sc1C
COCCS(=O)(=O)NC(C)c1cccc(n2cccn2)c1
CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC
NNC(Cc1nc2ccccc2s1)c1cccc(F)c1
COC(=O)c1ccc(Nc2cnnc(NCCc3ccccc3OC)n2)cc1
O=C1NC(=[NH+]C2CCCCCCC2)OC1c1ccccc1
CN(CC1CC(O)C1)C(=O)c1cccc(N(C)C)c1
CCCC(=O)N(C)C1CCC(CC#N)CC1
CN(C)c1cc(C2CC2)nn1CCC([NH3+])C=O
CCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCOC
CNc1cccc(N2C(=O)C[NH+](C)CC2C)c1
CC[NH2+]C(c1c(F)cccc1F)C1CCCCC1CC
CCC(CC)(c1ccc(C2(O)CCCCC2)c(C)c1)c1ccc(c2cccc(CC(=O)[O-])c2)c(C)c1
CN(c1ccccc1)c1ccccc1C(=O)NC1C=CC(CO)C1
Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3sc4ccccc4c3Cl)c(=O)[nH]c12
COc1cc(C(=O)NCC(N2CC[NH2+]CC2)C(F)(F)F)cc(OC)c1C
CCCNS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(N3CCOCC3)cc2)cc1
CC1(Oc2ccc3cnn(C4CCCCO4)c3c2)CC1
O=C(Nc1nc(c2ccccn2)nc(c2ccccn2)n1)C1CCCCC1
CCc1ccc(OC(CC)C(=O)N(C)Cc2nc(c3cccs3)no2)cc1
O=C1NC(=O)C2(CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)cc3)CC2)N1
COC(CNC(=O)Nc1ccc(Br)o1)OC
NC(=[NH+]c1c(F)cc(Br)cc1F)C1CCCC1
COC(=O)C(O)c1cc(C)c(F)c(O)c1
COc1ccc(C(=O)N=Nc2c(O)n(C)c3ccc(C)cc23)cc1OC
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1
CC1CCC(Oc2cc(B(O)O)ccc2F)CC1C
C[NH2+]C(C)(C)CN1CC(c2ccc(Br)s2)NC1=O
CC(C)C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)C=CC(=O)OC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
CCc1nc(C)cc2c1OCC2
COc1ccc(C(C[NH3+])Cc2cccc(OC)c2OC)cc1
CCOc1ncccc1CNC(Nc1cccc(OCCCOC)c1)=[NH+]C
Cc1ccccc1CNC(=O)CC[NH2+]Cc1ccccc1Cl
O=C(NCC#CC=C[NH2+]C1CCC(CO)O1)C(F)(F)F
CS(=O)(=O)c1cccc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c1[N+](=O)[O-]
CC(C)(C)OC(=O)COC(=O)c1cccnc1SC(F)F
CC(Cn1ccnc1)n1c(N)nnc1SCC(=O)[O-]
CCCCc1ccc2nc(COC)cc(Cl)c2c1
COC(=O)c1cc(Cl)ccc1NCc1ccc(F)c(Br)c1
CCC(CC)N(CCO)C(=O)Nc1cccc(OC)c1
C[NH+]1CCC(Nc2ncnc3ccccc23)C1
CC(C)(CNC(=O)CC1CC[NH2+]C1)c1cccnc1
COCCN(c1nc(C[NH2+]CC(C)C)co1)C1CC1
CCC1CC(C(=O)Nc2ccccc2N(C)C2CCCC2)CC(=O)N1
CCOc1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1OCC