smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cn1cnc(-c2nn[nH]n2)n1	ZINC000824108383	609397802	/nfs/dbraw/zinc/39/78/02/609397802.db2.gz	FHMJLRKJBQXNSY-UHFFFAOYSA-N	0	1	366.342	-1.870	20	50		FAGDMN
CNC(=O)[C@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C	ZINC000826050787	608533822	/nfs/dbraw/zinc/53/38/22/608533822.db2.gz	DQAGCGYVBGLCMS-CYBMUJFWSA-N	0	1	374.405	-1.012	20	50		FAGDMN
CNC(=O)[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C	ZINC000826050788	608533837	/nfs/dbraw/zinc/53/38/37/608533837.db2.gz	DQAGCGYVBGLCMS-ZDUSSCGKSA-N	0	1	374.405	-1.012	20	50		FAGDMN
O=C([O-])N1CC[NH+](CCCNC(=O)NNC(=O)[C@H]2COCCO2)CC1	ZINC000831675550	604010728	/nfs/dbraw/zinc/01/07/28/604010728.db2.gz	FGSKEWOYZDCPDL-LLVKDONJSA-N	0	1	359.383	-1.582	20	50		FAGDMN
O=C([O-])N1CC[NH+](CCCNC(=O)NNC(=O)[C@@H]2COCCO2)CC1	ZINC000831675552	604010294	/nfs/dbraw/zinc/01/02/94/604010294.db2.gz	FGSKEWOYZDCPDL-NSHDSACASA-N	0	1	359.383	-1.582	20	50		FAGDMN
CCCNC(=O)C[NH+]1CCC(NC(=O)NNC(=O)CNC(=O)[O-])CC1	ZINC000833855945	605503374	/nfs/dbraw/zinc/50/33/74/605503374.db2.gz	RYLQOIGIQXXSLG-UHFFFAOYSA-N	0	1	358.399	-1.425	20	50		FAGDMN