smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2ccc(O)c(O)c2)C(=O)Nc2ccccc21	ZINC000009058995	556243623	/nfs/dbraw/zinc/24/36/23/556243623.db2.gz	GMTLGGOKWONVCH-HTIQSUCMSA-N	1	0	437.452	0.707	40	10		ICCBRO
COCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)c(O)c3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000009058997	556243644	/nfs/dbraw/zinc/24/36/44/556243644.db2.gz	GMTLGGOKWONVCH-LPSTTYAQSA-N	1	0	437.452	0.707	40	10		ICCBRO
C[NH+]1CCN(c2ccc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1	ZINC000218331331	557193518	/nfs/dbraw/zinc/19/35/18/557193518.db2.gz	GAXQWDFGFTVVOA-UHFFFAOYSA-N	1	0	428.514	0.899	40	10		ICCBRO