Datasets:
HR-machine
/
HIV

Dataset card Data Studio Files
xet
 Community
smiles
stringlengths
4
580
activity
stringclasses
3 values
HIV_active
int64
0
1
NCCCS(=O)(=O)O
CI
0
NC(=S)NN=CNN=CNNC(N)=S
CI
0
O=S(=O)(O)CN(CCN(CS(=O)(=O)O)CS(=O)(=O)O)CS(=O)(=O)O
CI
0
CCOC(=O)C(CC#N)(NC(C)=O)C(=O)OCC
CI
0
CCOC(=O)CC(NCCSS(=O)(=O)O)C(=O)OCC
CI
0
O=S(=O)(O)SCCNCC(O)C(O)CNCCSS(=O)(=O)O
CI
0
CC(C)C(=O)C(C)(C)C(=O)C(C)(C)C(=O)OC(C)(C)C
CI
0
CCOC(=O)C(C#N)C(C)CC
CI
0
CC(C)CC(C#N)C(N)=O
CI
0
CC(C)CC(C#N)C(=O)O
CI
0
CC(C)(S)C(N)C(=O)O
CI
0
CC(C(=O)O)C(C)(C)C(=O)O
CI
0
CC(F)(C(N)=O)C(N)=O
CI
0
NC(=O)CCC(F)(C(N)=O)C(N)=O
CI
0
CC(C)CC(F)(C(N)=O)C(N)=O
CI
0
CCOC(C)C(C=NNC(N)=S)=NNC(N)=S
CI
0
N=C(N)SCCNCC(O)C(O)CNCCSC(=N)N
CI
0
CCCCCCCCCCCCCCC=CC(CC(=O)O)C(=O)O
CI
0
NNC(=O)NNC(=O)NN
CI
0
NC(CSCC(N)C(=O)O)C(=O)O
CI
0
C[Si](C)(C)CCCS(=O)(=O)O
CI
0
O=C(O)CCCO
CI
0
O=S(=O)(O)CCCO
CI
0
N=C(NNC(=N)C(F)(F)F)C(F)(F)F
CI
0
NC(=S=O)C(F)(F)C(F)(F)C(F)(F)F
CM
1
C=CC(CCCCCCCC(=O)O)S(=O)(=O)O
CI
0
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
CI
0
CCC(F)(C(N)=O)C(=O)O
CI
0
CC(C)C(F)(C(N)=O)C(=O)O
CI
0
CC(C)(SSC(C)(C)C(N)C(=O)O)C(N)C(=O)O
CI
0
CCCS(=O)(=O)O
CI
0
CCOC(=O)C(F)(F)C(=O)OCC
CI
0
NC(=O)C(F)C(N)=O
CI
0
NC(=O)C(F)(F)C(N)=O
CI
0
CCOP(=O)(N=C(C(C)C)N(C)C)OCC
CI
0
CCOC(=O)NCC(OS(C)(=O)=O)C(CNC(=O)OCC)OS(C)(=O)=O
CI
0
CCCOP(=S)(NC(=N)N)OCCC
CI
0
CC(=O)NCCCCCCNC(C)=O
CI
0
O=C(O)C(CSSCC(NC(=O)C(F)(F)F)C(=O)O)NC(=O)C(F)(F)F
CI
0
CC(=CC(=O)O)CCC=C(C)C(=O)O
CI
0
CCC(COCC(CC)C(=O)O)C(=O)O
CI
0
CCOCCOCCOCOCCOCCOCC
CI
0
CCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)O
CI
0
CCN(CC)C(=S)SCCCS(=O)(=O)O
CI
0
OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO
CI
0
CC[N+](CC)(CCNCC(N)=O)CC(N)=O
CI
0
CCOC(=O)CC(C#N)(CC(=O)OCC)C(=O)OCC
CI
0
CCCCOP(=O)(N=COC(C)C)OCCCC
CI
0
NCCN(CCN)CCN
CI
0
CCOC(=O)C=CCP(=O)(OCC)OCC
CI
0
NC(CC(=O)N=CNO)C(=O)O
CI
0
COC(=O)CC(=O)C(=CCC(C=C(C(=O)CC(=O)OC)C(=O)OC)OC)C(=O)OC
CI
0
CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC
CI
0
C[N+](C)(C)CCCS(=O)(=O)O
CI
0
CS(=O)(=O)OCCCNCCCOS(C)(=O)=O
CI
0
CCOC(=O)NC(NC(=O)OCC)C(NC(=O)OCC)NC(=O)OCC
CI
0
OC(OCC(COC(O)C(Br)Br)(COC(O)C(Br)Br)COC(O)C(Br)Br)C(Br)Br
CI
0
NNC(=O)NP(=O)(NC(=O)NN)NC(=O)NN
CI
0
CCOC(=O)NP(=O)(NC(=O)OCC)NC(=O)OCC
CI
0
CCC(=O)OCNC(=O)NNC(=O)CCCC(=O)NNC(=O)NCOC(=O)CC
CI
0
O=[N+]([O-])OCC(O[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-]
CI
0
CNC(=S)NNC(=O)NP(=O)(NC(=O)NNC(=S)NC)NC(=O)NNC(=S)NC
CI
0
CNNC(=O)NP(=O)(NC(=O)NNC)NC(=O)NNC
CI
0
COC(=O)C(NC(=O)C(C)NC(=O)OC(C)(C)C)C(C)O
CI
0
CS(=O)(=O)OCCCS(=O)(=O)O
CI
0
CC(=O)CC(C)(C)S(=O)(=O)O
CI
0
CC(O)C(O)C(N)CC=O
CI
0
CC(=O)NC(CS)C(=O)O
CI
0
O=C(O)CCCC(=O)CCCC(=O)O
CI
0
CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OC(CCl)CCl
CI
0
CONC(=O)NP(=O)(NC(=O)NOC)NC(=O)NOC
CI
0
CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC
CI
0
CCOC(=O)NNC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC
CI
0
CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)NOC
CI
0
CC(=O)O
CI
0
CCOC(=O)NNC(=O)NP(=O)(NC(=O)NNC(=O)OCC)NC(=O)NNC(=O)OCC
CI
0
O=C(O)C=CC(=O)NCCCNC(=O)C=CC(=O)O
CI
0
O=C(O)CCC(=O)NCCNC(=O)CC(=O)O
CI
0
CCCCNC(=N)NC(=N)N
CI
0
O=S(=O)(O)CCS
CI
0
CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O
CI
0
CC(=CC=C(C)C(=O)O)C(=O)O
CI
0
O=C(O)C(=O)O
CM
1
NCCSSSSCCN
CI
0
CC(CCN)(CCN)[N+](=O)[O-]
CI
0
CCOP(=O)(OCC)C(C)=NO
CI
0
CCOP(=O)(OCC)C(N)C(C)C
CI
0
CCOP(=O)(OCC)C(N)C(C)CC
CI
0
CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC(=O)OCC)NC(=S)NNC(=O)OCC
CI
0
CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC
CI
0
COC(=O)C(N=O)C(=O)OC
CI
0
O=C(CBr)OCCCS(=O)(=O)O
CI
0
N=C(N)NCCCC(N)C(=O)O.NC(CCC(=O)O)C(=O)O
CI
0
O=C(O)C=CS(=O)(=O)O
CI
0
CCOC(OCC)C(C)=N[N+](C)(C)C
CI
0
O=C(CBr)OCS(=O)(=O)O
CI
0
CS(=O)(=O)OCCNCC(O)C(O)CNCCOS(C)(=O)=O
CI
0
CC(C)(C)SS(=O)C(C)(C)C
CI
0
CC(C)(C)NP(=O)(NC(C)(C)C)NC(C)(C)C
CI
0
CCCCCCCCCCCCCCCCSS(C)(=O)=O
CI
0