smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000002971105	956866870	/nfs/dbraw/zinc/86/68/70/956866870.db2.gz	JTWGLVMBVIIZNN-GXDHUFHOSA-N	-1	0	340.335	2.314	50	50		EEGARM
N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)NCc1ccccc1	ZINC000015685498	957096407	/nfs/dbraw/zinc/09/64/07/957096407.db2.gz	FOGUZHURLBRQHK-YBEGLDIGSA-N	-1	0	336.347	2.373	50	50		EEGARM
Cn1cc(/C=C(\C#N)C(=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1	ZINC000015661394	957096810	/nfs/dbraw/zinc/09/68/10/957096810.db2.gz	CJLXGFKJJWWYGO-KPKJPENVSA-N	-1	0	325.324	2.240	50	50		EEGARM
N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)Nc1nccs1	ZINC000002632721	956867263	/nfs/dbraw/zinc/86/72/63/956867263.db2.gz	WIDOHBYMFRRKFK-XFFZJAGNSA-N	-1	0	329.337	2.152	50	50		EEGARM
CC(C)(CC(=O)[O-])CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000016481015	957099935	/nfs/dbraw/zinc/09/99/35/957099935.db2.gz	AOCYFVOIHPLLNR-UHFFFAOYSA-N	-1	0	336.432	2.241	50	50		EEGARM
N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)Nc1nccs1	ZINC000025436188	957161802	/nfs/dbraw/zinc/16/18/02/957161802.db2.gz	WIDOHBYMFRRKFK-YRNVUSSQSA-N	-1	0	329.337	2.152	50	50		EEGARM