smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(C(=O)OC)=C1SCn2c(nc3c2c(=O)n(C)c(=O)n3C)S1	ZINC000048546582	570251484	/nfs/dbraw/zinc/25/14/84/570251484.db2.gz	MNKWQCBBPYISBZ-UHFFFAOYSA-N	0	2	398.422	-0.212	10	0		GBAELN
CS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCN(c2ncccn2)CC1	ZINC000067870864	291095722	/nfs/dbraw/zinc/09/57/22/291095722.db2.gz	KVKGRHOLHZFAKC-YESZJQIVSA-N	0	2	394.545	-0.142	10	0	biogenic	GBAELN
CC1(C)S[C@H]([C@@H](NC(=O)[C@@H]([NH3+])c2ccc(O)cc2)C(=O)[O-])[NH2+][C@H]1C(=O)[O-]	ZINC000077271563	205357228	/nfs/dbraw/zinc/35/72/28/205357228.db2.gz	LHHKJQFIKHAUIA-SRRSOLGSSA-N	0	2	383.426	-0.144	10	0	in-vitro	GBAELN