smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(Cl)cc3)S[C@@H]21	ZINC000020504125	526319562	/nfs/dbraw/zinc/31/95/62/526319562.db2.gz	GTGPIYPPDWOZPZ-FLXSYLCISA-N	1	2	454.980	0.591	10	30		JCEELO
Cc1ccc(NC2=N[C@@H]3[C@H](S2)[C@@H](C(=O)NCC[NH+]2CCOCC2)C[C@@H](O)[C@@H]3O)cc1Cl	ZINC000020504130	525970350	/nfs/dbraw/zinc/97/03/50/525970350.db2.gz	ADSROXMWHAQKDA-YCVVXREPSA-N	1	2	469.007	0.900	10	30		JCEELO
C[NH+](C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)c3[nH]nc-2c31	ZINC000022066166	522238175	/nfs/dbraw/zinc/23/81/75/522238175.db2.gz	MQKZTYSCFGLAOV-SNSZBMKHSA-N	1	2	453.499	0.506	10	30	in-vitro	JCEELO
COc1ccc(-n2c(=O)/c(=C/c3ccccn3)s/c2=C(/C#N)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000033581486	523308659	/nfs/dbraw/zinc/30/86/59/523308659.db2.gz	LFBDKTRMRHUIJR-XITLWQRKSA-N	1	2	461.547	0.580	10	30		JCEELO