smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000067923752	717132857	/nfs/dbraw/zinc/13/28/57/717132857.db2.gz	YTOBUTQXJPRYPH-XQIGCQGXSA-N	2	0	571.823	4.978	10	30		KJEERP
C/C=C/C[C@@H](C)[C@@H](OC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)C(C)C)[C@@H]([NH2+]C)C(=O)CCCCCCC	ZINC000072399965	553651492	/nfs/dbraw/zinc/65/14/92/553651492.db2.gz	WPQBWMHHEXUOHJ-ZLZVSRSTSA-N	2	0	509.776	4.793	10	30	in-vitro	KJEERP
C/C=C/C[C@@H](C)[C@@H](OC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)C(C)C)[C@H]([NH2+]C)C(=O)CCCCCCC	ZINC000072399966	553651504	/nfs/dbraw/zinc/65/15/04/553651504.db2.gz	WPQBWMHHEXUOHJ-FUUVOOAESA-N	2	0	509.776	4.793	10	30	in-vitro	KJEERP