smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1)C(=NN=C1NC(=O)C(CC(=O)NCC(=O)[O-])S1)C(=O)N2	ZINC000002668748	570294545	/nfs/dbraw/zinc/29/45/45/570294545.db2.gz	KMIJKWIZCKVADS-JTQLQIEISA-N	-1	2	389.393	-0.170	40	30		GBEBLM
Cc1ccc2c(c1)C(=NN=C1NC(=O)[C@H](CC(=O)NCC(=O)[O-])S1)C(=O)N2	ZINC000002668748	570294539	/nfs/dbraw/zinc/29/45/39/570294539.db2.gz	KMIJKWIZCKVADS-JTQLQIEISA-N	-1	2	389.393	-0.170	40	30		GBEBLM
O=C([O-])CNC(=O)CC1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057041	570874129	/nfs/dbraw/zinc/87/41/29/570874129.db2.gz	FQMGKBQELOWNKT-VIFPVBQESA-N	-1	2	375.366	-0.479	40	30		GBEBLM
O=C([O-])CNC(=O)C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057041	570874126	/nfs/dbraw/zinc/87/41/26/570874126.db2.gz	FQMGKBQELOWNKT-VIFPVBQESA-N	-1	2	375.366	-0.479	40	30		GBEBLM
O=C([O-])CNC(=O)CC1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057044	570874058	/nfs/dbraw/zinc/87/40/58/570874058.db2.gz	FQMGKBQELOWNKT-SECBINFHSA-N	-1	2	375.366	-0.479	40	30		GBEBLM
O=C([O-])CNC(=O)C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O	ZINC000015057044	570874056	/nfs/dbraw/zinc/87/40/56/570874056.db2.gz	FQMGKBQELOWNKT-SECBINFHSA-N	-1	2	375.366	-0.479	40	30		GBEBLM
Cc1ccc2c(c1)/C(=N\N=C1/NC(=O)C(CC(=O)NCC(=O)[O-])S1)C(=O)N2	ZINC000016713055	570931579	/nfs/dbraw/zinc/93/15/79/570931579.db2.gz	KMIJKWIZCKVADS-SNVBAGLBSA-N	-1	2	389.393	-0.170	40	30		GBEBLM
Cc1ccc2c(c1)/C(=N\N=C1/NC(=O)[C@@H](CC(=O)NCC(=O)[O-])S1)C(=O)N2	ZINC000016713055	570931575	/nfs/dbraw/zinc/93/15/75/570931575.db2.gz	KMIJKWIZCKVADS-SNVBAGLBSA-N	-1	2	389.393	-0.170	40	30		GBEBLM