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+](C)(C)CC(O)C[N+](C)(C)C	1987	168692498	/nfs/dbraw/zinc/69/24/98/168692498.db2.gz	SEOAESNTVSJYIF-UHFFFAOYSA-N	2	0	176.304	-0.240	50	5	in-man	ABBARP
C[N+](C)(C)[NH3+]	1665818	168693124	/nfs/dbraw/zinc/69/31/24/168693124.db2.gz	ZSXLAJUILPSSLE-UHFFFAOYSA-N	2	0	75.135	-0.434	50	5	in-vitro	ABBARP
C[N+]12CC[N+](C)(CC1)CC2	1706737	171001162	/nfs/dbraw/zinc/00/11/62/171001162.db2.gz	SESBXFAPJKDPLA-UHFFFAOYSA-N	2	0	142.246	-0.093	50	5		ABBARP
C[N+](C)(C)CC[NH3+]	4714898	342994549	/nfs/dbraw/zinc/99/45/49/342994549.db2.gz	QMRGNVUDLXOZPG-UHFFFAOYSA-N	2	0	103.189	-0.349	50	5	in-vitro	ABBARP
C[N+](C)(C)CCNC(N)=[NH2+]	2013699	571790220	/nfs/dbraw/zinc/79/02/20/571790220.db2.gz	DDXMWRZVEXEGTE-UHFFFAOYSA-N	2	0	145.230	-0.824	50	5		ABBARP