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-])c1nccn1C[C@@H](O)C[NH2+]CCF	ZINC000013886458	187251261	/nfs/dbraw/zinc/25/12/61/187251261.db2.gz	PQJWOBYKYGXKRG-ZETCQYMHSA-N	1	0	232.215	-0.289	1	5		BBBFRO
Cn1c(C(=O)NCCC(N)=[NH2+])ccc1[N+](=O)[O-]	ZINC000026020660	180614588	/nfs/dbraw/zinc/61/45/88/180614588.db2.gz	LFQHJMCHEBYOMS-UHFFFAOYSA-N	1	0	239.235	-0.011	1	5		BBBFRO
C[C@H]1O[C@@H](C[N+](C)(C)C)CS1(=O)=O	ZINC000029561322	717119444	/nfs/dbraw/zinc/11/94/44/717119444.db2.gz	VBIQWYKTHHUZCP-YUMQZZPRSA-N	1	0	208.303	-0.148	1	5		BBBFRO
C[C@@H]1O[C@H](C[N+](C)(C)C)CS1(=O)=O	ZINC000029562258	176485478	/nfs/dbraw/zinc/48/54/78/176485478.db2.gz	VBIQWYKTHHUZCP-HTQZYQBOSA-N	1	0	208.303	-0.148	1	5		BBBFRO
[NH3+]CCC1=c2cc([N+](=O)[O-])ccc2=NC1	ZINC000086860044	181371740	/nfs/dbraw/zinc/37/17/40/181371740.db2.gz	MMWCKVSZSIYOBY-UHFFFAOYSA-N	1	0	205.217	-0.273	2	5		BBBFRO