smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C([N+]#N)=C(O)Nn1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)nn1	ZINC000008713736	483727919	/nfs/dbraw/zinc/72/79/19/483727919.db2.gz	KXCRHVUGNHPTJE-HTQZYQBOSA-N	1	2	366.407	-1.450	50	10		FACALO
CNC(=O)C([N+]#N)=C(O)Nn1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)nn1	ZINC000016949425	220198436	/nfs/dbraw/zinc/19/84/36/220198436.db2.gz	KXCRHVUGNHPTJE-YUMQZZPRSA-N	1	2	366.407	-1.450	50	10		FACALO
CNC(=O)C([N+]#N)=C(O)Nn1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)nn1	ZINC000016949427	482648008	/nfs/dbraw/zinc/64/80/08/482648008.db2.gz	KXCRHVUGNHPTJE-OCAPTIKFSA-N	1	2	366.407	-1.450	50	10		FACALO
CCNC(=S)N1CC[NH+](CCNC=C2C(=O)NC(=O)NC2=O)CC1	ZINC000019359412	482546458	/nfs/dbraw/zinc/54/64/58/482546458.db2.gz	QOXPUBUTINBRQP-UHFFFAOYSA-N	1	2	354.436	-1.662	50	10		FACALO
CC(=O)N1CC[NH+](CCNC=C2C(=O)N(C)C(=S)N(C)C2=O)CC1	ZINC000020503024	482549392	/nfs/dbraw/zinc/54/93/92/482549392.db2.gz	ZNYNWWAUBVWJCW-UHFFFAOYSA-N	1	2	353.448	-1.161	50	10		FACALO
CNC(=S)N1CC[NH+](CCNC=C2C(=O)NC(=S)NC2=O)CC1	ZINC000096791721	222130902	/nfs/dbraw/zinc/13/09/02/222130902.db2.gz	RPPSTYJXXIRIDK-UHFFFAOYSA-N	1	2	356.477	-1.887	50	10		FACALO