diff options
Diffstat (limited to 'cv/data/csv/FHM.csv')
| -rw-r--r-- | cv/data/csv/FHM.csv | 536 |
1 files changed, 536 insertions, 0 deletions
diff --git a/cv/data/csv/FHM.csv b/cv/data/csv/FHM.csv new file mode 100644 index 0000000..a6c3c0f --- /dev/null +++ b/cv/data/csv/FHM.csv @@ -0,0 +1,536 @@ +STRUCTURE_SMILES,LOGINV_TD50_mmol +NC1=CC=C(CCCCCCCCCC)C=C1,3.57511836336893 +C=CC=O,3.51855737149769 +CCCCCCCCCCCCCN,3.48412615628832 +Cl\C(Cl)=C(Cl)/C(Cl)=C(Cl)\Cl,3.46218090492673 +[H][C@]1(CC2)C(C)(C)CCC[C@@](C)1[C@@H](CC[C@@](O)(C)C=C)C2=C,3.3840499483436 +C1=CC=CC=C1SSC2=CC=CC=C2,3.29756946355447 +CCCCCCCCCCCCN,3.25492520841794 +NC1=CC=C(CCCCCCCC)C=C1,3.2335871528876 +CCCCCCCCCC1=CC=C(O)C=C1,3.19722627470802 +C1=CC=C2C(=C1)C(=O)C(C)=CC2=O,3.1944991418416 +ClC1=CC=C(SCSP(=S)(OCC)OCC)C=C1,3.15490195998574 +ClC1=C([N+]([O-])=O)C(Cl)=C([N+]([O-])=O)C(Cl)=C1,3.08724669632868 +S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC,3.0423927129399 +N1=C(C2=CC=CC=C2)C=CC=C1C3=CC=CC=C3,3.04191415147891 +OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,3.04000516167158 +BrC(Br)C1=C(C(Br)Br)C=CC=C1,2.98296666070122 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