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[C@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000002560970	136213020	/nfs/dbraw/zinc/21/30/20/136213020.db2.gz	WIHFMPVINVRCJZ-WDSKDSINSA-N	-2	3	228.204	-1.619	40	30		BAEBHL
N[C@@H](CC(=O)N/C=N/C(=O)[O-])C(=O)[O-]	ZINC000005411199	342763389	/nfs/dbraw/zinc/76/33/89/342763389.db2.gz	TUIVWWKEWUYZAG-VKHMYHEASA-N	-2	3	203.154	-1.389	40	30		BAEBHL
N[C@H](CC(=O)N/C=N/C(=O)[O-])C(=O)[O-]	ZINC000005411455	342763318	/nfs/dbraw/zinc/76/33/18/342763318.db2.gz	TUIVWWKEWUYZAG-GSVOUGTGSA-N	-2	3	203.154	-1.389	40	30		BAEBHL
O=C1CCC([O-])=C1C1(O)C(=O)[N-]C(=O)NC1=O	ZINC000005464704	342764239	/nfs/dbraw/zinc/76/42/39/342764239.db2.gz	UDWZOTOVGWAXMB-UHFFFAOYSA-N	-2	3	240.171	-1.742	40	30		BAEBHL
O=C([O-])/C(Cc1nc([O-])cc(=O)[n-]1)=N/O	ZINC000017376414	409666978	/nfs/dbraw/zinc/66/69/78/409666978.db2.gz	IMBLJXFCGAIPFY-XCVCLJGOSA-N	-3	3	213.149	-1.067	40	30		BAEBHL
C#CC[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000127634755	411499000	/nfs/dbraw/zinc/49/90/00/411499000.db2.gz	WIHFMPVINVRCJZ-RITPCOANSA-N	-2	3	228.204	-1.619	40	30		BAEBHL
C#CC[C@@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000127634920	411499074	/nfs/dbraw/zinc/49/90/74/411499074.db2.gz	WIHFMPVINVRCJZ-PHDIDXHHSA-N	-2	3	228.204	-1.619	40	30		BAEBHL
C#CC[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000127635164	411499274	/nfs/dbraw/zinc/49/92/74/411499274.db2.gz	WIHFMPVINVRCJZ-NTSWFWBYSA-N	-2	3	228.204	-1.619	40	30		BAEBHL