smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H]([NH2+]C[C@@H]([NH3+])CS)C(=O)NCc1ccccc1	ZINC000038311871	174139637	/nfs/dbraw/zinc/13/96/37/174139637.db2.gz	RUNORHGNZGGWDP-KGLIPLIRSA-N	2	2	295.452	1.318	1	30		CDEFLP
C/C(=N/O)C(=O)C(C[NH+]1CCCCC1)C[NH+]1CCCCC1	ZINC000012379009	275401305	/nfs/dbraw/zinc/40/13/05/275401305.db2.gz	DIOOSUUGLJQHEO-VKAVYKQESA-N	2	2	295.427	1.994	1	30		CDEFLP
C/C(=N\O)[C@H](C)[NH2+]CC(C)(C)C[NH2+][C@@H](C)/C(C)=N/O	ZINC000006019925	170169024	/nfs/dbraw/zinc/16/90/24/170169024.db2.gz	BPNZYADGDZPRTK-YMBLUDMBSA-N	2	2	272.393	1.669	1	30	in-man	CDEFLP