Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
Cc1nc2ccc(NC(=O)Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)cc2o1
CNc1nc(Cc2cc(OC)cc(OC)c2)cs1
CNc1cccc(c2sc3c(N4CCCC4)nc(c4cnc5[nH]ccc5c4)nc3c2C)c1
COc1ccccc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1
O=C1C(=O)N(CC[NH+]2CCN(CCc3ccccc3)CC2)c2ccccc21
CC(C)C(=O)N1CCC(NCC#N)C1
CCCCCCCCCCCCCCCCCCCCCCC[NH2+]CC(C)N
Cn1cc(NC(=O)c2cc(F)cc(N)c2F)ccc1=O
CCOC(=O)N(CCc1ccccc1)CCC(C)C
COCCCCc1c(C(=O)N(CC(C)C)C2CC(C(C)(C)O)CN(C(=O)[O-])C2)nnn1c1ccccc1
CC(CCCc1ccccc1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1
CC(=O)C1(c2ccc(Br)cc2)COC1
CCC(O)C(C)(C)C(C=COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
CC(C)(C#N)c1nc(CNCC(F)(F)F)cs1
Cc1ccccc1C(O)C[NH+](C)C1CCCC1
CN(C(=O)NC1CCCC1(C)C)C1CCC(CO)CC1
Cc1cc(OCCCCn2c(CN(C)C(=O)c3ccncc3)nc3ccccc32)ccc1Cl
CCN(C(=O)C1CC(Oc2cc(c3ccccc3)nc3cc(OC)ccc23)C[NH2+]1)C1CC1C(=O)OC
CC1CCC[NH+](CC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1
CC(C)CCNC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C
CN(C)C(=O)c1ccc(CNc2ncnc3sc(c4ccccc4)cc23)cc1
C#CC[NH2+]CC(=O)N(C)CCC(=O)[O-]
C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(c2noc(Cc4ccccc4)n2)cn3Cc2c(F)cccc2Cl)CC1
COc1ccc(Cl)cc1C(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
CCn1cc(C(O)c2ccnn2CC)cn1
Cc1ccnc(NCC(CC(C)C)C(=O)[O-])c1C(N)=O
CCn1cc(C2CCCCCC2C[NH2+]C)cn1
Cc1nc(c2cccc(OCC(=O)N(C)CCC(=O)[O-])c2)cs1
CC(C)N1CC(CNC(=O)c2ccc(C(C)(C)C)cc2)CC1=O
CC([NH3+])c1ccc(OCc2ncon2)c(Cl)c1
CC(C)(C)CNC(=O)c1ccccc1C#CCO
Cc1cc(C2CC2)cc(C)c1Oc1nc(Nc2ccc(C=CC#N)cc2)nc2ccn(Cc3ccccc3)c12
C=CC(=O)OCCC=CC=CCCC
Cc1cc(OCC(O)CNC(C)CS(C)(=O)=O)ccc1Cl
CCCCC(=O)N1CCC(=CC(=O)Nc2cccc3c2CC(O)CC3)c2ccc(C(F)(F)F)cc21
CC1CC(C)C[NH+](CC2COc3ccc(F)cc3C2[NH3+])C1
CBCCCC(C)(CCC1CCC1CCC)C(C)C(C)CC
COCCn1c2c(ccc1=O)CC(NC(=O)C1CCCO1)CC2
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N4CCCC4)cc3)C2c2ccccc2F)c1
CCNC(=O)C(C)[NH2+]Cc1nccn1CC
CC(=NO)C(C)(C)NC(=O)CC([NH3+])C(=O)OC(=O)c1ccccc1
[C-]#[N+]c1ccc(NC(=O)Nc2cc(Cl)ccc2OCCCNC(=O)CCCc2c[nH]c3ccccc23)nc1
COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C
CN(C)C(=O)CC(C[NH3+])N1CCC2CCCCC21
CC(C)C1(O)CCC2(C)CC(O)(C3CCC4C3(C)CCC3OC(C)(C)C(O)C(O)C(O)C34C)CCC21
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2C)CC1
CCC(CO)(COC(=O)NN)c1ccccc1
N#CC1=C([NH3+])Oc2cc(OC(=O)C=Cc3ccccc3)ccc2C1c1ccc(F)cc1
CC(C#N)NC1CCOC(C)(C)C1
CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1
COCCn1ncc(N(C)CC2CC[NH2+]CC2)c(Cl)c1=O
Cc1cc(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)c2nc3n(c2n1)CCCCC3
COC(=O)C1(O)CCCCc2ccccc21
CNc1cc(N(C)c2ccccc2)cc([N+](=O)[O-])c1
O=C1CC(c2noc(c3cccc(F)c3)n2)CN1c1cccc(C(F)(F)F)c1
CCC(O)CCNC(=O)c1ccc(CCl)cc1
COc1ccc(CCCC(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1
COc1ccc2c(c1)CN(C(=O)NCC1CCCS(=O)(=O)C1)CC2
Cc1ccc(C(=O)NCC2CCN(c3ccc(F)cc3)C2)c(=O)[nH]1
CCOc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1F
CCc1c(NN)ncnc1NCc1ccc(OC)nc1
C=CCOC(=O)NCC(C)(C)O
CC1NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)Cc2ccccc2)C(C)OC(=O)C(c2c[nH]c3ccccc23)NC(=O)C2CCCN2C1=O
CC(C)c1cccc(C(C)C)c1CBr
CCO[Si](C)(C)C=Cc1ccc(C=C[Si](C)(C)OCC)cc1
CCC(C)c1ccc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1
C#CCCCCNS(=O)(=O)c1cnc[nH]1
CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
Cc1nc(c2ccc(OCCCCCOc3ccc(C(N)=[NH+]O)cc3)cc2)c(CC[NH+](C(C)C)C(C)C)s1
O=C([O-])c1cccn1c1ccc2cc(Br)ccc2c1
CC[NH+]1CC(CC[NH+](C)C)N(c2ccccc2)C1N
[O-]c1c(Cl)c(Cl)c(Cl)c(Br)c1Cl
CCCCCC=CCC=CCCCCCCCC(=O)OC=Cc1ccc(O)cc1
CCCOCC(=O)Nc1ccc(C(F)(F)F)cc1
OCCc1ccc(O)c(Cl)c1F
CCOC(=O)c1cn(CC(=O)OC(c2ccccc2)c2ccccc2)c2c(F)c(F)c(F)cc2c1=O
CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(Br)c(OCc5ccc(Cl)cc5)c(I)c4)c(=O)n32)cc1OCC
Cc1c(C(=O)N(C)Cc2ccccc2Br)sc2nc3n(c(=O)c12)CCCCC3
CC1CC(O)C[NH+]1Cc1coc(Br)c1
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CCOc1ccc(C)cc1
CC1CCC(Cl)(C=O)C(=O)O1
CC1Cc2ccccc2N1C(=O)NCC1C[NH2+]CCCO1
COc1ccc2c3c1OC1C=CC=CC31CC[NH+](C)C2
C=CC(C)Nc1cc(Br)nc(C(C)C)n1
NC(NNC(=O)c1nc(Cl)c(N)nc1N)=[NH+]C(N)=[NH+]Cc1ccc(Cl)cc1
CCC[NH2+]C(C)c1ccc(OCC(C)(O)CC)c(OC)c1
CCOc1ccc(C2=NC(=Cc3ccc(OC)c(OC)c3OC)C(=O)O2)cc1
Cc1c(O)cccc1NC(=O)c1cccc(CC(C)[NH2+]CC(O)c2ccc(N)nc2)c1
CC(C)C(C)Oc1nc(C[NH3+])co1
CC(=O)c1c(F)ccc(C#N)c1OC(F)F
Cc1nc(C2([NH3+])CC2)nc2c(F)cccc12
O=C(c1cncc(Br)c1)c1ccnn1c1ccccc1
CCC[NH2+]C(C)CCN1CC[NH+](C(C)(C)C)CC1
O=C(CC[NH2+]C1CC1)Nc1ccc(SC(F)(F)F)cc1
CS(=O)(=O)Nc1ccccc1c1ccc2c(c1)Nc1ccc(C(N)=O)cc1NC2=O
OCC1CCC[NH+]1CCCC[NH2+]Cc1cccc(Cl)c1O
Cc1nc2ccccc2n1C1CC2CCC(C1)[NH+]2CCC1(c2ccccc2)CCN(C(=O)C2(O)CC2)CC1
Cc1nn2c(=O)cc(C[NH+]3CCCC3Cc3ccccc3Cl)nc2s1
CCCCCCCCCCOc1ccc(C2=NN(c3ccc(OC)cc3)CC2)cc1
S=c1oc(c2cccs2)nn1C[NH+]1CCc2ccccc2C1