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]([NH2+][C@@H]2CC[C@H]([N+](=O)[O-])C[C@@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000033714197	553969856	/nfs/dbraw/zinc/96/98/56/553969856.db2.gz	UCPFDBPCKOQFIK-ZHHSRHCRSA-N	1	2	519.460	-0.498	40	5		KBBBLO
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H]([NH2+][C@@H]2CC[C@H]([N+](=O)[O-])C[C@@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000033714198	553969808	/nfs/dbraw/zinc/96/98/08/553969808.db2.gz	UCPFDBPCKOQFIK-YSKUOOHISA-N	1	2	519.460	-0.498	40	5		KBBBLO
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CC[C@H]([N+](=O)[O-])C[C@@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000037246040	554231032	/nfs/dbraw/zinc/23/10/32/554231032.db2.gz	UCPFDBPCKOQFIK-RWCSFIAYSA-N	1	2	519.460	-0.498	40	5		KBBBLO