smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000005823006	557676472	/nfs/dbraw/zinc/67/64/72/557676472.db2.gz	NOQUXNGPYJBCQT-CRFOPFCFSA-N	0	1	414.396	-2.794	40	30		HAEBMN
O=c1[nH]cnc2c1nc(N=NCc1ccc(O)cc1O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000016385594	558789254	/nfs/dbraw/zinc/78/92/54/558789254.db2.gz	CIUUMJYYBRFAAP-HBZUNWIUSA-N	0	1	418.366	-1.412	40	30		HAEBMN
O=c1[nH]cnc2c1nc(NN=Cc1ccccc1O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000016449061	558791978	/nfs/dbraw/zinc/79/19/78/558791978.db2.gz	HGURKZSDYMOJJD-SNEZMTJISA-N	0	1	402.367	-1.117	40	30		HAEBMN
O=C1NC(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C/[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000016958905	558810435	/nfs/dbraw/zinc/81/04/35/558810435.db2.gz	NOQUXNGPYJBCQT-JRPMOLIRSA-N	0	1	414.396	-2.794	40	30		HAEBMN
O=C1NC(=O)/C(=C\c2ccc(S(=O)(=O)N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000031871303	527045991	/nfs/dbraw/zinc/04/59/91/527045991.db2.gz	NOQUXNGPYJBCQT-SUVDIHDUSA-N	0	1	414.396	-2.794	40	30		HAEBMN
O=C1NC(=O)/C(=C\c2ccc(S(=O)(=O)N/N=C/[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000031871305	527046693	/nfs/dbraw/zinc/04/66/93/527046693.db2.gz	NOQUXNGPYJBCQT-SLKRICTHSA-N	0	1	414.396	-2.794	40	30		HAEBMN