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](NC(=O)CCl)C(=O)[O-]	2030295	948766084	/nfs/dbraw/zinc/76/60/84/948766084.db2.gz	HTAQFYLADZNZHZ-GSVOUGTGSA-N	-1	0	165.576	-0.186	50	50	in-vitro	ABGARM
COC(=O)NNC(=O)CCC(=O)[O-]	4141370	948768881	/nfs/dbraw/zinc/76/88/81/948768881.db2.gz	MIQCCWBQWYWUKG-UHFFFAOYSA-N	-1	0	190.155	-0.762	50	50		ABGARM
O=C([O-])CNC(=O)CCl	1236711	956862449	/nfs/dbraw/zinc/86/24/49/956862449.db2.gz	DLDTUYIGYMNERN-UHFFFAOYSA-N	-1	0	151.549	-0.574	50	50	in-vitro	ABGARM
O=C([O-])CCNC(=O)CCl	2168921	956864294	/nfs/dbraw/zinc/86/42/94/956864294.db2.gz	BEJUGFDJTBNLPO-UHFFFAOYSA-N	-1	0	165.576	-0.184	50	50		ABGARM
NNC(=O)c1cccc(C(=O)[O-])c1	75848480	957746961	/nfs/dbraw/zinc/74/69/61/957746961.db2.gz	QPUVFEMYORGPAE-UHFFFAOYSA-N	-1	0	180.163	-0.012	50	50		ABGARM
CC(CCC(=O)[O-])=NNC(N)=O	254708402	961321994	/nfs/dbraw/zinc/32/19/94/961321994.db2.gz	FMVMFABHHLRSFT-UHFFFAOYSA-N	-1	0	173.172	-0.105	50	50		ABGARM
O=C(CCl)Nc1nn[n-]n1	5380631	1423342912	/nfs/dbraw/zinc/34/29/12/1423342912.db2.gz	HAZFRPCINVUQFY-UHFFFAOYSA-N	-1	0	161.552	-0.623	50	50		ABGARM
C[C@H](NC(=O)CCl)C(=O)[O-]	163863	967492685	/nfs/dbraw/zinc/49/26/85/967492685.db2.gz	HTAQFYLADZNZHZ-VKHMYHEASA-N	-1	0	165.576	-0.186	50	50	in-vitro	ABGARM