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(OCCCl)N1CCc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2C1	ZINC001164737960	720662163	/nfs/dbraw/zinc/66/21/63/720662163.db2.gz	IATDDYVZYXNSHV-GJZGRUSLSA-N	0	1	494.383	1.995	20	50		JDGDMN
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2C1	ZINC001164737965	720663577	/nfs/dbraw/zinc/66/35/77/720663577.db2.gz	IATDDYVZYXNSHV-LSDHHAIUSA-N	0	1	494.383	1.995	20	50		JDGDMN
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2C1	ZINC001164737963	720662727	/nfs/dbraw/zinc/66/27/27/720662727.db2.gz	IATDDYVZYXNSHV-HUUCEWRRSA-N	0	1	494.383	1.995	20	50		JDGDMN
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2C1	ZINC001164737957	720663796	/nfs/dbraw/zinc/66/37/96/720663796.db2.gz	IATDDYVZYXNSHV-CABCVRRESA-N	0	1	494.383	1.995	20	50		JDGDMN