smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCC[NH2+][C@H](Cc1ccccc1)C1CCCCC1	ZINC000159698929	538110845	/nfs/dbraw/zinc/11/08/45/538110845.db2.gz	ZLZVAFLAQCDGSO-MRXNPFEDSA-N	1	0	247.382	2.760	50	70		BFIARO
Cc1ccc(C)c2sc(NCC[NH+](C)C)nc21	ZINC000217428496	388372736	/nfs/dbraw/zinc/37/27/36/388372736.db2.gz	FFRHTVLBAHDYLV-UHFFFAOYSA-N	1	0	249.383	2.887	50	70		BFIARO
OCC[NH2+][C@@H](Cc1ccccc1)C1CCCCC1	ZINC000159698808	538878635	/nfs/dbraw/zinc/87/86/35/538878635.db2.gz	ZLZVAFLAQCDGSO-INIZCTEOSA-N	1	0	247.382	2.760	50	70		BFIARO
Cc1cc(NCCOc2ccccc2)cc[nH+]1	ZINC000160914218	178161186	/nfs/dbraw/zinc/16/11/86/178161186.db2.gz	YTIUJPKMFBETAT-UHFFFAOYSA-N	1	0	228.295	2.881	50	70		BFIARO
C([NH2+][C@@H]1CCCOC1)C1C2CC3CC(C2)CC1C3	ZINC000217128059	490430384	/nfs/dbraw/zinc/43/03/84/490430384.db2.gz	SQEWITRZQRPOQI-BAPHQMLMSA-N	1	0	249.398	2.827	50	70		BFIARO
C([NH2+][C@H]1CCCOC1)C1C2CC3CC(C2)CC1C3	ZINC000217128049	490429590	/nfs/dbraw/zinc/42/95/90/490429590.db2.gz	SQEWITRZQRPOQI-CGAUPDFVSA-N	1	0	249.398	2.827	50	70		BFIARO