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(Nc1ccccc1)c1ccccc1/N=C\c1cc([N+](=O)[O-])ccc1O	ZINC000083327991	208307085	/nfs/dbraw/zinc/30/70/85/208307085.db2.gz	DZOYKSXPGHEGRD-BKUYFWCQSA-N	0	2	361.357	4.303	10	30		FIEELN
COc1cc(/C=C\C(=O)c2cc(Cl)c(C)cc2O)cc(OC)c1OC	ZINC000033643250	208095604	/nfs/dbraw/zinc/09/56/04/208095604.db2.gz	NWALRILOGURVOS-WAYWQWQTSA-N	0	2	362.809	4.276	10	30		FIEELN
Cc1ccc(NC(=S)N/N=C\c2cc(Cl)cc(Cl)c2O)cc1	ZINC000095938518	209086708	/nfs/dbraw/zinc/08/67/08/209086708.db2.gz	KBSHBHNOGFHWMS-LSCVHKIXSA-N	0	2	354.262	4.328	10	30		FIEELN
Cc1cc(C)c(CSc2nnc(N[NH+]=Cc3ccccc3)[n-]2)c(C)c1	ZINC000006255214	524275270	/nfs/dbraw/zinc/27/52/70/524275270.db2.gz	ZQCYNSPMESXSBQ-RGVLZGJSSA-N	0	2	351.479	4.468	10	30		FIEELN
C=CC(C)(C)c1c(O)cc(=O)c2c(O)c(OC)c(-c3ccccc3)oc1-2	ZINC000005950749	560203936	/nfs/dbraw/zinc/20/39/36/560203936.db2.gz	AFLRJCXCYQMRGE-UHFFFAOYSA-N	0	2	352.386	4.343	10	30	in-vitro	FIEELN
C=CC(C)(C)c1c(O)cc(O)c2c1oc(-c1ccccc1)c(OC)c2=O	ZINC000005950749	560203937	/nfs/dbraw/zinc/20/39/37/560203937.db2.gz	AFLRJCXCYQMRGE-UHFFFAOYSA-N	0	2	352.386	4.343	10	30	in-vitro	FIEELN
Cc1ccc(CSc2nnc(NN=Cc3c[nH]c4ccccc34)[nH]2)cc1	ZINC000006275194	524649677	/nfs/dbraw/zinc/64/96/77/524649677.db2.gz	LLYQZMJKAWCBIG-SRZZPIQSSA-N	0	2	362.462	4.333	10	30		FIEELN
Cc1ccc(CSc2nnc(N[NH+]=Cc3c[nH]c4ccccc34)[n-]2)cc1	ZINC000006275194	524649691	/nfs/dbraw/zinc/64/96/91/524649691.db2.gz	LLYQZMJKAWCBIG-SRZZPIQSSA-N	0	2	362.462	4.333	10	30		FIEELN