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@H](C)N[P@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000026379654	563031329	/nfs/dbraw/zinc/03/13/29/563031329.db2.gz	UPNCHRMHMZDUHN-LNFKQOIKSA-N	-1	0	431.346	-0.347	1	10		IBCFRM
CNC(=O)[C@H](C)N[P@](=O)([O-])OC[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000026379659	563031349	/nfs/dbraw/zinc/03/13/49/563031349.db2.gz	UPNCHRMHMZDUHN-ZDCRXTMVSA-N	-1	0	431.346	-0.347	1	10		IBCFRM
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc21	ZINC000031430412	565107932	/nfs/dbraw/zinc/10/79/32/565107932.db2.gz	ASQHVCDULHERIH-JNHRPPPUSA-N	-1	0	432.381	-0.810	1	10	biogenic,in-vitro	IBCFRM
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c1C2=O	ZINC000033830908	565108531	/nfs/dbraw/zinc/10/85/31/565108531.db2.gz	UBVJENDWBOVRBS-JNHRPPPUSA-N	-1	0	432.381	-0.640	1	10	biogenic,in-vitro	IBCFRM
COc1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc1c2c43	ZINC000045284355	563127999	/nfs/dbraw/zinc/12/79/99/563127999.db2.gz	ZHUIRVBXBXMQPS-ZDLAQBPYSA-N	-1	0	448.336	-0.272	1	10		IBCFRM
NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053242950	563141447	/nfs/dbraw/zinc/14/14/47/563141447.db2.gz	ZRVXJMLLABFRDT-FVPDLXMVSA-N	-1	0	431.405	-0.994	1	10		IBCFRM
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)[O-])NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053296548	563141898	/nfs/dbraw/zinc/14/18/98/563141898.db2.gz	KPXLYFZTGJKBGJ-FVPDLXMVSA-N	-1	0	431.405	-0.994	1	10		IBCFRM
Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1C2=O	ZINC000059586158	565115516	/nfs/dbraw/zinc/11/55/16/565115516.db2.gz	DQELNFBVUJJFQU-LNCSSOGTSA-N	-1	0	432.381	-0.640	1	10	biogenic,in-vitro	IBCFRM
O=C([O-])c1cc(O)c2c(c1)C(=O)c1cccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1C2=O	ZINC000085532012	291308528	/nfs/dbraw/zinc/30/85/28/291308528.db2.gz	WYKUTTFFZMQCGO-RXVDJBPWSA-N	-1	0	446.364	-0.956	1	10	biogenic,in-vitro	IBCFRM
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc(O)c1C2=O	ZINC000095911179	560058280	/nfs/dbraw/zinc/05/82/80/560058280.db2.gz	UBVJENDWBOVRBS-GMIXLPSWSA-N	-1	0	432.381	-0.640	1	10	biogenic,in-vitro	IBCFRM