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)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H](C(=O)[O-])[C@@H]3C(=O)O	ZINC000004682967	557581033	/nfs/dbraw/zinc/58/10/33/557581033.db2.gz	PXYRCOIAFZBLBN-WOUIPQPXSA-N	-2	2	418.530	4.298	40	0	in-vitro	HIABLL
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccn2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000004914257	560736607	/nfs/dbraw/zinc/73/66/07/560736607.db2.gz	LZOCLKDOANVSAS-JOCHJYFZSA-N	-2	2	410.433	4.228	40	0		HIABLL
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000004914271	560736532	/nfs/dbraw/zinc/73/65/32/560736532.db2.gz	LZOCLKDOANVSAS-QFIPXVFZSA-N	-2	2	410.433	4.228	40	0		HIABLL
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H](C(=O)[O-])[C@@H]3C(=O)O	ZINC000003953867	557503728	/nfs/dbraw/zinc/50/37/28/557503728.db2.gz	PXYRCOIAFZBLBN-GBLBNPSVSA-N	-2	2	418.530	4.298	40	0	in-vitro	HIABLL