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+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccccc1)C2	ZINC000001995694	173189908	/nfs/dbraw/zinc/18/99/08/173189908.db2.gz	KUDHVQBOLXZJRO-GASCZTMLSA-N	2	1	230.355	2.070	1	0		BEAFMP
C[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccccc1)C2	ZINC000001995694	173189910	/nfs/dbraw/zinc/18/99/10/173189910.db2.gz	KUDHVQBOLXZJRO-GASCZTMLSA-N	2	1	230.355	2.070	1	0		BEAFMP
[NH3+]CC(F)(C[NH3+])Cc1ccc2ccccc2c1	ZINC000585142211	344174709	/nfs/dbraw/zinc/17/47/09/344174709.db2.gz	KXEOSNYFCHSFJW-UHFFFAOYSA-N	2	1	232.302	2.008	2	0		BEAFMP
[NH3+]CC(F)(C[NH3+])Cc1cccc2ccccc21	ZINC000585142258	344174604	/nfs/dbraw/zinc/17/46/04/344174604.db2.gz	SCPPULCUQUUSDF-UHFFFAOYSA-N	2	1	232.302	2.008	2	0		BEAFMP
Cc1cccc2[n+]1C[C@@H]1C[C@H]2C[N@H+]2CCCC[C@H]12	ZINC000085487415	560076095	/nfs/dbraw/zinc/07/60/95/560076095.db2.gz	XYNSPFVRYARHDF-SOUVJXGZSA-N	2	1	242.366	2.128	1	0	biogenic,in-vitro	BEAFMP
C1=C2CCC[NH2+][C@H]2[C@H]2C[C@@H]1[C@H]1CCCC[N@@H+]1C2	ZINC000034432491	560087410	/nfs/dbraw/zinc/08/74/10/560087410.db2.gz	SKOLRLSBMUGVOY-LXTVHRRPSA-N	2	1	232.371	2.169	1	0	biogenic,in-vitro	BEAFMP
C1=C2CCC[NH2+][C@H]2[C@H]2C[C@@H]1[C@H]1CCCC[N@H+]1C2	ZINC000034432491	560087412	/nfs/dbraw/zinc/08/74/12/560087412.db2.gz	SKOLRLSBMUGVOY-LXTVHRRPSA-N	2	1	232.371	2.169	1	0	biogenic,in-vitro	BEAFMP