smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@@H]2C(=O)N(C(C)C)C(=O)[C@H]21	ZINC000004581195	204056265	/nfs/dbraw/zinc/05/62/65/204056265.db2.gz	IJYFMNFZBZDEML-MMMWYMCRSA-N	-1	3	392.477	1.623	10	10		GDCEHM
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000004199977	204032447	/nfs/dbraw/zinc/03/24/47/204032447.db2.gz	LXVLZXGVQUQIKJ-IAGYGMIVSA-N	-1	3	380.400	1.681	10	10		GDCEHM
CSCC[C@@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(C(C)C)C(=O)[C@H]21	ZINC000004581197	204055430	/nfs/dbraw/zinc/05/54/30/204055430.db2.gz	IJYFMNFZBZDEML-NXEZDXNNSA-N	-1	3	392.477	1.623	10	10		GDCEHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O	ZINC000004991176	204101244	/nfs/dbraw/zinc/10/12/44/204101244.db2.gz	YOFDHOWPGULAQF-WSVYEEACSA-N	-1	3	398.367	1.182	10	10		GDCEHM
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000019972700	207173583	/nfs/dbraw/zinc/17/35/83/207173583.db2.gz	LXVLZXGVQUQIKJ-DLRJPAPCSA-N	-1	3	380.400	1.681	10	10		GDCEHM
[O-]c1ccc(Br)cc1CN1CCN(c2ccc3nncn3n2)CC1	ZINC000120463770	530941323	/nfs/dbraw/zinc/94/13/23/530941323.db2.gz	ODHLRKKLDINECG-UHFFFAOYSA-N	-1	3	389.257	1.915	10	10		GDCEHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1C[C@@H](O)CN1C(C)=O	ZINC000189283932	530911276	/nfs/dbraw/zinc/91/12/76/530911276.db2.gz	BQXJWORWCUXSDB-ZIAGYGMSSA-N	-1	3	385.258	1.485	10	10		GDCEHM