Datasets:
HR-machine
/
HIV

Dataset card Data Studio Files
xet
 Community
smiles
stringlengths
4
580
activity
stringclasses
3 values
HIV_active
int64
0
1
CS(=O)(=O)SCCCS(=O)(=O)O
CI
0
CCCCCCCCCCCCCCCCSS(=O)(=O)CCCCCCCC
CI
0
COC(=S)NP(=O)(NC(=S)OC)NC(=S)OC
CI
0
CCOC(=S)NP(=O)(NC(=S)OCC)NC(=S)OCC
CI
0
NC(=S)NP(=O)(NC(N)=S)NC(N)=S
CI
0
O=S(=O)(O)CC(O)CSSCC(O)CS(=O)(=O)O
CI
0
C=CCC(C=CCC)(C(=O)O)C(=O)O
CI
0
CCC=C(C)C(CCC)(CN=O)C(=O)OCC
CI
0
CCCCCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
CI
0
CCOC(=O)C(C)(C)C(OP(=O)(CC)OCC)=C(C)C
CI
0
CCOC(=O)C(C)(C)C(OP(OCC)OCC)=C(C)C
CI
0
COC(=O)C(C)(C)C(OP(=S)(N(C)C)N(C)C)=C(C)C
CI
0
COC(=O)C(C)(C)C(=O)C(C)(C)P(C)(=O)OC
CI
0
COC(=O)C(C)(C)C(OP(=O)(OC)OC)=C(C)C
CI
0
CCCOC(=O)C(C)(C)C(OP(OCCC)OCCC)=C(C)C
CI
0
CC(=O)NC(C)(C)C
CI
0
NC(CCCCCC(N)C(=O)O)C(=O)O
CI
0
COC(=O)C(C)(C)C(OP(C)(=O)OC)=C(C)C
CI
0
CCOC(=O)C(C)(C)C(OP(=S)(OCC)OCC)=C(C)C
CI
0
CCCOC(=O)C(C)(C)C(OP(=O)(OCCC)OCCC)=C(C)C
CI
0
COC(=O)C(C)(C)C(OP(=S)(OC)OC)=C(C)C
CI
0
CC(C)=C(OP(C)(I)(N(C)C)N(C)C)C(C)(C)C(=O)N(C)C
CI
0
CC(C)P(=O)(N(C)C)N(C)C
CI
0
CCCCCCC(C)S(=O)(=O)O
CI
0
COC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
CI
0
O=S(=O)(O)SCCCNCCCNCCCSS(=O)(=O)O
CI
0
CCCC(O)S(=O)(=O)O
CI
0
CN(CCSSCCN(C)C(N)=S)C(N)=S
CI
0
COC(OC(CO)C(O)S(=O)(=O)O)C(O)S(=O)(=O)O
CI
0
N=C(CSS(=O)(=O)O)NCCSS(=O)(=O)O
CI
0
O=S(=O)(O)SCCCNCCCCCCCCNCCCSS(=O)(=O)O
CI
0
O=S(=O)(O)SCCCNCCCCCCNCCCSS(=O)(=O)O
CI
0
CN(C)C(=O)N=NC(=O)N(C)C
CM
1
CCCCCCCCCCCCS(=O)(=O)O.CCC[N+](C)(C)C
CI
0
C=CCNC(=O)C(O)C(O)C(=O)NCC=C
CI
0
[BH3-][N+](C)(C)CC[N+]([BH3-])(C)C
CI
0
NN.O=S(=O)(O)O
CI
0
NC(CN(O)N=O)C(=O)O
CI
0
CCOC(=O)CC(C(=O)OCC)S(=O)(=O)O
CI
0
CCCCCC(C(O)C#N)C(O)(C(F)(F)F)C(F)(F)F
CI
0
O=C(CC(=O)CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F
CI
0
CN(C)CCCNC(CC#N)CCC#N
CI
0
NCCSSCC(N)C(=O)O
CI
0
NC(CSS(=O)(=O)CC(N)C(=O)O)C(=O)O
CI
0
CNCCSSCCN
CI
0
NC(CSC=CC(=O)O)C(=O)O
CI
0
O=C(O)C=CSCCCC(=O)O
CI
0
O=C(O)C=CSCCC(=O)O
CI
0
COC(=O)CCSC=CC(=O)O
CI
0
CCOC(=O)C=CSCCCC(=O)O
CI
0
C=CCCCCCCCCC(=O)NC(C)C(C)(C)C
CI
0
C=CCCCCCCCCC(=O)NC(C)COC
CI
0
Cl[Cu]Cl
CI
0
O=C(O)C=CC(=O)NCCCCCCNC(=O)C=CC(=O)O
CI
0
O=S(=O)(O)CCN(CCO)CCO
CI
0
NC(=O)CNCCS(=O)(=O)O
CI
0
CC(CS(=O)(=O)O)NC(CO)(CO)CO
CI
0
CC(C)(C)NC(=O)CCC(CC(=O)NC(C)(C)C)S(=O)(=O)O
CI
0
N#CCCC(CC#N)S(=O)(=O)O
CI
0
CC(C)N(C=C(C#N)C#N)C(C)C
CI
0
CCCCN(CCCC)P(=S)(OCC)OCC
CI
0
CCCCCSP(=S)(C(C)C)C(C)C
CI
0
CCOP(=S)(OCC)SC(C)(C)C
CI
0
CCCCNC(=O)OCC(C)(CCC)COC(N)=O
CI
0
CCCCCCCCCCNC(C)=O
CI
0
CCNC(=N)SCCS(=O)(=O)O
CI
0
COC(=O)C(C)S(=O)(=O)O
CI
0
CCOC(=O)C(C)S(=O)(=O)O
CI
0
C[SH](C)(=O)CCCS(=O)(=O)O
CI
0
C[S+](C)CCS(=O)(=O)O
CI
0
Cl[Ho](Cl)Cl
CI
0
O=CC(NC(=O)N(CCCl)N=O)C(O)C(O)C(O)CO
CI
0
CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O
CI
0
NCCCNCCNCCCN
CI
0
CCCC[Sn](Cl)(CCCC)SC(=S)NCCNC(=S)S[Sn](Cl)(CCCC)CCCC
CI
0
CC(C)NC(=N)CSS(=O)(=O)O
CI
0
CCNC(=N)C(C)SS(=O)(=O)O
CI
0
CN(C)C(=N)CSS(=O)(=O)O
CM
1
CCNC(=N)CSS(=O)(=O)O
CI
0
O=S(=O)(O)CCC(O)S(=O)(=O)O
CI
0
CCC(=O)ON[N+](=O)[O-]
CI
0
CCN(CC)C(=O)SCCSC(=O)N(CC)CC
CI
0
CCCCCCCCCNC(=N)CSSCC(=N)NCCCCCCCCC
CI
0
CC(C)(C)OP(=O)(S)OC(C)(C)C.CCN
CI
0
CC(SC(=N)N)C(=N)N
CI
0
CCCCCCCCCCNC(=N)CSSCC(=N)NCCCCCCCCCC
CI
0
CCCCCCCNC(=N)CSSCC(=N)NCCCCCCC
CI
0
CN(C)CCCNC(=N)CSP(=O)(O)O
CI
0
N=C(CSS(=O)(=O)O)NCCCCNC(=N)CSS(=O)(=O)O
CI
0
CC(=O)NC(CSSCC(NC(C)=O)C(=O)O)C(=O)O
CI
0
CS(=O)(=O)NOCCCCONS(C)(=O)=O
CI
0
C=COCCC(C(=O)OCC)C(=O)OCC
CI
0
O=C(O)CC(NC(=O)CP(=O)(O)O)C(=O)O.[NaH]
CI
0
O=C(O)C=CC=CC(=O)O
CI
0
CS(=O)(=O)C(CC(S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O
CI
0
CCCCCCCCCC=C(CC(=O)O)C(=O)O
CI
0
O=C(O)C(CS(=O)(=O)O)S(=O)(=O)O
CI
0
CC(C)(C)C(=O)CS(=O)(=O)O
CI
0
O=S(=O)(O)CCCCS(=O)(=O)O
CI
0
CC(C)C(N)S(=O)(=O)O
CI
0