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@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[N@@H+](C)C1	ZINC000077301846	208038448	/nfs/dbraw/zinc/03/84/48/208038448.db2.gz	DZSDDKNXMARQMJ-ODSACRAUSA-N	1	1	392.518	-1.247	10	0	in-vitro	GAAEMO
CC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[N@@H+](C)C1	ZINC000077301849	211128740	/nfs/dbraw/zinc/12/87/40/211128740.db2.gz	DZSDDKNXMARQMJ-CSEXQPIXSA-N	1	1	392.518	-1.247	10	0	in-vitro	GAAEMO
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	ZINC000261952206	530111157	/nfs/dbraw/zinc/11/11/57/530111157.db2.gz	OLAXSLQVLCAJJL-KGLIPLIRSA-N	1	1	375.495	-2.000	10	0		GAAEMO
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000262006893	637350641	/nfs/dbraw/zinc/35/06/41/637350641.db2.gz	VCYLORNNZQKSCE-AGIUHOORSA-N	1	1	395.503	-1.976	10	0		GAAEMO
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000262006894	637350699	/nfs/dbraw/zinc/35/06/99/637350699.db2.gz	VCYLORNNZQKSCE-UPJWGTAASA-N	1	1	395.503	-1.976	10	0		GAAEMO