smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccc3F)n[nH]2)O1	ZINC000159716138	162311657	/nfs/dbraw/zinc/31/16/57/162311657.db2.gz	UIEPIZIVYDTHMM-GZMMTYOYSA-N	0	2	290.298	2.117	10	70		CEIELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC(O)CC1	ZINC000159897539	366957828	/nfs/dbraw/zinc/95/78/28/366957828.db2.gz	GXACVSGTQITZHS-UHFFFAOYSA-N	0	2	290.146	2.296	10	70		CEIELN
c1ccc(NC[C@H]2CC[N@@H+](CCOCC3CC3)C2)[nH+]c1	ZINC000160082199	162322820	/nfs/dbraw/zinc/32/28/20/162322820.db2.gz	KWNHLQDMAZWPKH-OAHLLOKOSA-N	0	2	275.396	2.242	10	70		CEIELN
C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3F)n[nH]2)O1	ZINC000159716412	162313137	/nfs/dbraw/zinc/31/31/37/162313137.db2.gz	UIEPIZIVYDTHMM-KWQFWETISA-N	0	2	290.298	2.117	10	70		CEIELN
C[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3F)n[nH]2)O1	ZINC000159716271	162313704	/nfs/dbraw/zinc/31/37/04/162313704.db2.gz	UIEPIZIVYDTHMM-KCJUWKMLSA-N	0	2	290.298	2.117	10	70		CEIELN
c1ccc(NC[C@@H]2CC[N@@H+](CCOCC3CC3)C2)[nH+]c1	ZINC000160082105	162322540	/nfs/dbraw/zinc/32/25/40/162322540.db2.gz	KWNHLQDMAZWPKH-HNNXBMFYSA-N	0	2	275.396	2.242	10	70		CEIELN
C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccccc3F)n[nH]2)O1	ZINC000159716009	162313499	/nfs/dbraw/zinc/31/34/99/162313499.db2.gz	UIEPIZIVYDTHMM-LDYMZIIASA-N	0	2	290.298	2.117	10	70		CEIELN