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(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2C1	ZINC001164737960	720662149	/nfs/dbraw/zinc/66/21/49/720662149.db2.gz	IATDDYVZYXNSHV-GJZGRUSLSA-N	1	0	494.383	1.995	20	50		JDGDRO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2C1	ZINC001164737965	720663560	/nfs/dbraw/zinc/66/35/60/720663560.db2.gz	IATDDYVZYXNSHV-LSDHHAIUSA-N	1	0	494.383	1.995	20	50		JDGDRO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2C1	ZINC001164737963	720662709	/nfs/dbraw/zinc/66/27/09/720662709.db2.gz	IATDDYVZYXNSHV-HUUCEWRRSA-N	1	0	494.383	1.995	20	50		JDGDRO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2C1	ZINC001164737957	720663774	/nfs/dbraw/zinc/66/37/74/720663774.db2.gz	IATDDYVZYXNSHV-CABCVRRESA-N	1	0	494.383	1.995	20	50		JDGDRO