smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000017020746	556653352	/nfs/dbraw/zinc/65/33/52/556653352.db2.gz	XSSGVGGOUZKLAR-DHGKCCLASA-N	0	2	443.327	-0.252	10	0	in-vitro	IBAELN
CC(C)N(C(C)C)C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000031308818	291305279	/nfs/dbraw/zinc/30/52/79/291305279.db2.gz	RVSTWRHIGKXTLG-WCXIOVBPSA-N	0	2	436.546	-0.379	10	0	biogenic,in-vitro	IBAELN
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000034609598	556579990	/nfs/dbraw/zinc/57/99/90/556579990.db2.gz	XSSGVGGOUZKLAR-KSTCHIGDSA-N	0	2	443.327	-0.252	10	0	in-vitro	IBAELN
Nc1nnc2[nH]c(=O)c(C(C(=O)c3cccs3)c3nn4c(N)nnc4[nH]c3=O)nn12	ZINC000048552250	569258336	/nfs/dbraw/zinc/25/83/36/569258336.db2.gz	OYTVLVAFTACKLX-UHFFFAOYSA-N	0	2	426.382	-0.996	10	0		IBAELN