smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(CCOCCOCC[NH3+])CCCC1	ZINC000028639225	177487909	/nfs/dbraw/zinc/48/79/09/177487909.db2.gz	WUSBZIGDRYAHLC-UHFFFAOYSA-N	2	0	217.333	0.219	1	5		BCBFRP
C[N+](C)(C)CCC[NH2+]CCCC[C@H]([NH3+])C(=O)[O-]	ZINC000238766839	717162985	/nfs/dbraw/zinc/16/29/85/717162985.db2.gz	HDWBAPUGLGDJRY-NSHDSACASA-O	2	0	246.375	0.255	1	5		BCBFRP
C[N+](C)(C)CCOc1ccc(CC[NH3+])cc1O	ZINC000209737135	717161154	/nfs/dbraw/zinc/16/11/54/717161154.db2.gz	BCZYCYYQXZHTLX-UHFFFAOYSA-O	2	0	239.339	0.978	1	5		BCBFRP
[NH2+]=C1NC[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=[NH2+])N1	ZINC000013757826	181207204	/nfs/dbraw/zinc/20/72/04/181207204.db2.gz	OGHQRQWHTPXPFU-MRVPVSSYSA-N	2	0	247.258	0.858	1	5		BCBFRP
[NH2+]=C1NC[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=[NH2+])N1	ZINC000013757828	181207919	/nfs/dbraw/zinc/20/79/19/181207919.db2.gz	OGHQRQWHTPXPFU-QMMMGPOBSA-N	2	0	247.258	0.858	1	5		BCBFRP