smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc[nH+]cc2)c([N+](=O)[O-])c1Nc1cc[nH+]cc1	ZINC000100446126	570362099	/nfs/dbraw/zinc/36/20/99/570362099.db2.gz	VMHTZVQITDAJSN-UHFFFAOYSA-N	2	0	397.307	3.688	50	5		GHBARP
c1ccc2c(c1)c(C[NH+]1CCOCC1)c1ccccc1c2C[NH+]1CCOCC1	ZINC000019287760	207113674	/nfs/dbraw/zinc/11/36/74/207113674.db2.gz	VLLFXWZDQHOGLC-UHFFFAOYSA-N	2	0	376.500	3.657	50	5	in-vitro	GHBARP
C[N+](C)(C)CCSC(=O)CCCCCCCC(=O)SCC[N+](C)(C)C	ZINC000004813607	571033817	/nfs/dbraw/zinc/03/38/17/571033817.db2.gz	WFFNDMAGAHIYQU-UHFFFAOYSA-N	2	0	392.675	3.649	50	5		GHBARP