smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c(NN=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000010272098	557260429	/nfs/dbraw/zinc/26/04/29/557260429.db2.gz	UXFUDRVJAJNMIO-UHFFFAOYSA-N	0	2	404.387	-0.958	50	30		HBEALN
O=C(CO)C(O)=C(O)[C@H](O)[C@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000102313836	569363491	/nfs/dbraw/zinc/36/34/91/569363491.db2.gz	JERMDAVQYBUDDH-UXDWOICNSA-N	0	2	418.450	-0.651	50	30		HBEALN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@H]3C[C@@H]12	ZINC000103941901	568929168	/nfs/dbraw/zinc/92/91/68/568929168.db2.gz	MTCQOMXDZUULRV-ADOAZJKMSA-N	0	2	414.414	-0.036	50	30		HBEALN
O=C(CO)C(O)=C(O)[C@@H](O)[C@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000257347492	571045701	/nfs/dbraw/zinc/04/57/01/571045701.db2.gz	JERMDAVQYBUDDH-ADBPMPSASA-N	0	2	418.450	-0.651	50	30		HBEALN
O=C(CO)C(O)=C(O)[C@@H](O)[C@@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000257347493	571045708	/nfs/dbraw/zinc/04/57/08/571045708.db2.gz	JERMDAVQYBUDDH-IOKIQMMNSA-N	0	2	418.450	-0.651	50	30		HBEALN
O=C(CO)C(O)=C(O)[C@H](O)[C@@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000257347494	571045695	/nfs/dbraw/zinc/04/56/95/571045695.db2.gz	JERMDAVQYBUDDH-QTFRQSNDSA-N	0	2	418.450	-0.651	50	30		HBEALN