smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](CC)(CC)CCCCCCSS(C)(=O)=O	ZINC000002379173	717094590	/nfs/dbraw/zinc/09/45/90/717094590.db2.gz	GPJSLDZJBXUZAK-UHFFFAOYSA-N	1	0	296.522	3.116	40	50	in-vitro	CGGBRO
C[N+](C)(C/C=C/CBr)Cc1ccccc1	ZINC000003207431	717095135	/nfs/dbraw/zinc/09/51/35/717095135.db2.gz	ASBOJDGTQHFZQQ-VOTSOKGWSA-N	1	0	269.206	3.214	40	50		CGGBRO
CC[N+](C)(CC)CCOC(=O)c1ccc(N=C=S)cc1	ZINC000001736528	717089245	/nfs/dbraw/zinc/08/92/45/717089245.db2.gz	PDBIPAOLKUUORO-UHFFFAOYSA-N	1	0	293.412	3.064	40	50		CGGBRO
C[N+](CCCl)(CCCl)Cc1ccc([N+](=O)[O-])cc1	ZINC000001696638	717089557	/nfs/dbraw/zinc/08/95/57/717089557.db2.gz	MBRFMTXYGMPQPW-UHFFFAOYSA-N	1	0	292.186	3.019	40	50		CGGBRO
C[N+](CCCl)(CCCl)Cc1ccccc1[N+](=O)[O-]	ZINC000001632642	717088612	/nfs/dbraw/zinc/08/86/12/717088612.db2.gz	OGMPJNQPHMGQEU-UHFFFAOYSA-N	1	0	292.186	3.019	40	50		CGGBRO
C[N+](CCCl)(CCCl)Cc1cccc([N+](=O)[O-])c1	ZINC000001635358	717088241	/nfs/dbraw/zinc/08/82/41/717088241.db2.gz	KCFHGCHZYVPALA-UHFFFAOYSA-N	1	0	292.186	3.019	40	50		CGGBRO