smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2S1(=O)=O	ZINC000003592726	569454598	/nfs/dbraw/zinc/45/45/98/569454598.db2.gz	FVBMLTFPLDIRHD-SCVCMEIPSA-N	-1	0	433.420	-0.930	40	5		IBBBRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2S1(=O)=O	ZINC000005822380	562944839	/nfs/dbraw/zinc/94/48/39/562944839.db2.gz	FVBMLTFPLDIRHD-JFGNBEQYSA-N	-1	0	433.420	-0.930	40	5		IBBBRM
CC1(C)[C@@H](C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2S1(=O)=O	ZINC000008665732	569469823	/nfs/dbraw/zinc/46/98/23/569469823.db2.gz	FVBMLTFPLDIRHD-FOGDFJRCSA-N	-1	0	433.420	-0.930	40	5		IBBBRM
CC1(C)[C@@H](C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2S1(=O)=O	ZINC000008665733	569469772	/nfs/dbraw/zinc/46/97/72/569469772.db2.gz	FVBMLTFPLDIRHD-CKYFFXLPSA-N	-1	0	433.420	-0.930	40	5		IBBBRM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](C)n3cc([N+](=O)[O-])cn3)[C@H]2SC1	ZINC000008715756	569470991	/nfs/dbraw/zinc/47/09/91/569470991.db2.gz	AJGSPZCTZVQHKB-KNNPRRDISA-N	-1	0	439.406	-0.346	40	5		IBBBRM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)[C@H]2SC1	ZINC000008715757	569471015	/nfs/dbraw/zinc/47/10/15/569471015.db2.gz	AJGSPZCTZVQHKB-JHQDUNDWSA-N	-1	0	439.406	-0.346	40	5		IBBBRM
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)no1	ZINC000408652282	569583820	/nfs/dbraw/zinc/58/38/20/569583820.db2.gz	CCQHIEFDVRGMJM-LLVKDONJSA-N	-1	0	431.361	0.566	40	5		IBBBRM
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)no1	ZINC000408652283	569583866	/nfs/dbraw/zinc/58/38/66/569583866.db2.gz	CCQHIEFDVRGMJM-NSHDSACASA-N	-1	0	431.361	0.566	40	5		IBBBRM