Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CN(C)c1ncc(C=NNc2ccc(c3cnco3)cc2)s1
CCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2N)s1
CSC1CCCC1[NH2+]C(C)c1ccc(C)cc1C
COC(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)nc1
CC(C)(C)OC(=O)CCOc1cccc(Cl)c1
CCc1nc(CN(C)C(=O)C([NH3+])c2cscn2)cs1
CCOc1ccc(N2C(=O)C3=C(CCCC3)C2=O)cc1OCC
CC(C)(C)C(=O)c1cc2c(ccnc2c2cccc(C(=O)[O-])c2)[nH]1
Cn1nc(N)c(C#N)c1C(=O)[O-]
CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccccc3Cl)c2n1
O=C(NC12CCC(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C1CNC2=O)c1ccsc1
Nc1c(C=O)oc2cc(Br)ccc12
CCc1ccc(OC(C)C(=O)N2CCN(C(=O)C[NH2+]C)CC2)cc1
COc1cc(NCC([NH3+])C(=O)[O-])c(OC)cc1Cl
Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1
CC(C)C[NH+]1CCC[NH2+]C(C)CC1
CC(C)(CNc1nnns1)c1cccc(Br)c1
CC(=O)C=CC(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CCCCCNC(=O)OCc1ccccc1)C(C)C
O=C1CCC(C(=O)Nc2cccc(n3cccn3)c2)CC1
C[NH2+]C(C1CCOC2(CCCCC2)C1)C1(C)CCCO1
CCn1ccc(=O)n(Cc2ncc(C)c(OC)c2C)c1=O
CC(C)(C)NC(=O)C(=O)N1CCCC(c2[nH]ncc2c2ccc(F)cc2)C1
CCc1ccc(OCCCC(=O)NC2CCOc3ccc(C)cc32)cc1
CSC(=CC(=O)NCc1ccccc1)SC
COc1cc(F)c([N+](=O)[O-])c(NCCCc2nc3ccccc3n2C)c1
COC(=O)Cc1cc(F)ncc1C(F)(F)F
O=C(CC1(C(=O)[O-])CCCCC1)NCCCCC(F)(F)F
CC(CC1CCC1)[NH2+]CC(=O)N1CCCCC1
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc(Cl)cc1
C[NH+]=C(NCC[NH+]1CCOCC1)NCc1cccnc1Oc1cccc(F)c1
C[Si]1(CC[Si]2(C)C(c3ccccn3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccn2)C(c2ccccn2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccn1
CCOCc1ccc(CO)o1
CCCOCC1(C(F)(F)F)c2cc(Cl)ccc2Nc2c1cc[nH]c2=O
O=C(CCc1nnc(c2cccnc2)o1)Nc1cccc(F)c1
Cc1nc(c2cccc(NC(=O)CC(C)C[NH3+])c2)cs1
C#CCN1CC(C[NH3+])CC1=O
CS(=O)(=O)N1CC(C(=O)N2CCN(C=O)CC2)C1
Cc1cc(N)cc(C)c1OCC(=O)NCC1CC1
O=C(CCSc1ccc(Br)cc1)NCCCN1CC[NH2+]CC1
COCCCC[NH2+]CC(=O)Nc1cc(Cl)ccc1C
CCOP(=O)(OCC(C)(C)COC(=O)c1ccc(C(=O)OCC(C)(C)CO)cc1)OCC(C)(C)COC(=O)c1ccc(C(=O)OCC(C)(C)COC)cc1
C[NH2+]C(CN1CCOCC1(C)C)(C(=O)OC)C1CC1
CC(Cn1cc(Br)cn1)[NH2+]CC(C)(O)c1cccs1
Cc1cccc(CC(=O)NCCc2ccsc2)c1
CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(c4cccnc4)c3C)C2=O)cc1
O=C(CCCn1cncn1)Nc1cc(C(F)(F)F)c[nH]c1=O
CCc1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1
NC(=O)c1cccc2nc(OC(F)F)oc12
CC1=[NH+]CCCN1c1cccnn1
O=C(Nc1ccccc1NC(=O)N1CCCC1)c1csc(c2cccc(Cl)c2)n1
Cn1cnc(C(=O)Nc2c(Br)cc(Br)cc2C(=O)[O-])c1
Cc1ncc(C[NH+]2CCC(Oc3ccc(N4c5ccccc5Sc5ccccc54)cc3)CC2)s1
CCc1nc2c(N)nc3cc(OCC(=O)c4ccsc4)ccc3c2s1
CC(C)CCc1noc(C2C[NH2+]C2)n1
CCn1ncc(S(=O)(=O)NC2CCCC2)c1N
S=C(SB1C2CCCC1CCC2)c1ccc(C(=S)SB2C3CCCC2CCC3)cc1
CC(C)(C)n1c(CO)cc(=O)c([O-])c1C[NH+]1CCCC1
COCCC[NH+]1CCC(Nc2ccc3c(Cl)ccc(C)c3n2)CC1
N#Cc1ccc(Nc2ncccc2C(N)=O)cc1OCc1ccccc1
COc1ccc(OC)c(C=CC(=O)Nc2cccc(O)c2)c1
COC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1
CCC(CC)(OP(OCCNC(=O)c1ccc(OC)cc1)N(C(C)C)C(C)C)C(COC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)(C(=O)[O-])C(=O)[O-]
CC(NC(=O)c1sccc1C1CC1)c1ccc2c(c1)CC(=O)N2
[NH3+]CC(COc1cccnc1)Cc1cccs1
Nc1ccc(OCCCC(F)(F)F)c2cccnc12
CC1Sc2ccc(S(=O)(=O)N3CCn4c3nc3ccccc34)cc2NC1=O
CC(C)OC(=O)NN(C(=O)OC(C)C)C1CC=CC1C=Cc1ccccc1
Cc1c(Cl)nc(C2CC2)nc1N1CCCC(CCO)C1
Cc1ccccc1OCCC(=O)NNC(=O)c1cccs1
CC[NH+](Cc1cccc(N)c1)CC1Cc2ccccc21
COc1cc(OC)nc(NCc2ccsc2)n1
Cc1cnccc1CNc1cc(C#N)c2cc(Cl)ccc2n1
Cc1nc2cc(NC3(CO)CCC3)c(N)cc2s1
Cc1cc(N)c(NCCc2ccccn2)cc1C
Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC(C)C(C)CO
COCc1c(Cl)cc(C2(N=C=O)CC2)cc1Br
C[NH2+]CC(C)(O)c1ccc(C(C)C)cc1
CCCCNC(=O)C1(C[NH3+])COC1
C[NH+](CC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCCC1CC2(C)C(O)CCC2C2CCc3cc(O)ccc3C12
Cc1ccc(C(Cl)C(N)=O)c(C)c1
O=C(OC(I)C(Cl)(Cl)Cl)C1CCCCC1
CC[NH2+]Cc1cc(S(=O)(=O)NC)c(C)cc1C
O=C(CSc1ncnc2nc[nH]c12)c1ccccc1F
CC(=O)N1CC[NH+]2CCc3c4n(c5ccccc35)C(O)CC1C42
Cc1ccc(C([NH3+])CC2CCCC(F)(F)C2)s1
OC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
c1ccc2c3c([nH]c2c1)CCOC31CCC(Nc2cc[nH+]cc2)CC1
Cc1cccc(C(=O)NCC(=O)NCCC[NH+]2CCCCC2C)c1
Cn1cnc2[nH]c(N3CCCCC3)nc(=O)c21
CCC(CS)COCCOCCOCCOC
Cc1cc(Oc2ccc(Br)cc2C(C)C)ncc1[N+](=O)[O-]
Cc1cc(C2CC[NH2+]C2CC[NH3+])ccc1F
CCOCCCNC(=O)NC1CCCC1C
CCCCCC(C)NC(=O)CCc1nnc(c2ccc(C)cc2)o1
CC(C)C[NH2+]CC(C)NCc1n[nH]c2c1CCCCC2
COC(=O)Cc1ccc(CC(C)=O)cc1
CCc1ccsc1c1nc2cc(N)ccc2o1
O=C(CC1CCCCC1)C1OCCc2ccccc21
Cc1cccc(NC(C)C(=O)OC(C)(C)C)c1Br
CC(C)N(Cc1cnc[nH]1)c1cccc(C(F)(F)F)n1