lazar 0.0.5 → 0.0.6

data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Rat.csv

@@ -0,0 +1,1198 @@
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+O[C@H]([C@H](O)CNCCCl)[C@H](O)[C@H](O)CNCCCl,inactive
+[Ti+2](C1=CC=CC1)C2(=CC=CC2).[Cl-].[Cl-],inactive
+O[C@@H](CO)[C@@H](O1)C(OCC)=C(O)C1=O,inactive
+OC(=O)[C@@H](N)CSCC,inactive
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+NC1=NC(N)=NC(C2=CC(Cl)=CC=C2Cl)=N1.O=C(O)/C=C\C(O)=O,inactive
+C/C=C/C1=CC=C(C=C1)OC,inactive
+O=[C@]([C@@H]1C[C@@H](O)CN1N=O)O,inactive
+C(C(F)(Cl)Cl)(F)(F)Cl,inactive
+C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO,inactive
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+O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,inactive
+O=[As](O)(O)[O-].[Na+],inactive
+CC(C=NOC(=O)NC)(SC)C,inactive