smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)C[C@H]1[C@H](C[NH+](C)C)C2CC[N+]1(C)CC2	ZINC000005115324	717098522	/nfs/dbraw/zinc/09/85/22/717098522.db2.gz	QQLGITONQJBNOJ-DLOXAQCQSA-N	3	1	240.415	0.965	10	5		BCBEMP
C[NH+](C)C[C@H]1C2CC[N+](C)(CC2)[C@@H]1C[NH+](C)C	ZINC000005115328	717098750	/nfs/dbraw/zinc/09/87/50/717098750.db2.gz	QQLGITONQJBNOJ-YRTQGLMCSA-N	3	1	240.415	0.965	10	5		BCBEMP
CSCC[C@@H]([NH3+])C(=O)OCC[N+](C)(C)C	ZINC000217390103	717161396	/nfs/dbraw/zinc/16/13/96/717161396.db2.gz	MHKXYKMQSTUWFM-SECBINFHSA-N	2	1	235.373	0.316	10	5		BCBEMP
C[NH+](C)C[C@H]1C2CC[N+](C)(CC2)[C@H]1C[NH+](C)C	ZINC000005115331	717098734	/nfs/dbraw/zinc/09/87/34/717098734.db2.gz	QQLGITONQJBNOJ-CWVKQELPSA-N	3	1	240.415	0.965	10	5		BCBEMP
CSCC[C@H]([NH3+])C(=O)OCC[N+](C)(C)C	ZINC000113643812	717149619	/nfs/dbraw/zinc/14/96/19/717149619.db2.gz	MHKXYKMQSTUWFM-VIFPVBQESA-N	2	1	235.373	0.316	10	5		BCBEMP
C[NH+](C)C[C@@H]1C2CC[N+](C)(CC2)[C@@H]1C[NH+](C)C	ZINC000005115321	172485045	/nfs/dbraw/zinc/48/50/45/172485045.db2.gz	QQLGITONQJBNOJ-YXXKGXSTSA-N	3	1	240.415	0.965	10	5		BCBEMP