smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=CC(=O)c2cc(C(C)=O)c([O-])cc2[O-])cc1	ZINC000083263497	185221723	/nfs/dbraw/zinc/22/17/23/185221723.db2.gz	YUXJUMJXMFYOPQ-YVMONPNESA-N	-2	3	312.321	3.205	10	30		DGEEHL
COc1ccc(/C=C/C(=O)c2c([O-])cc([O-])cc2OC)cc1	ZINC000014726226	431595806	/nfs/dbraw/zinc/59/58/06/431595806.db2.gz	YROJPKUFDFWHAO-VMPITWQZSA-N	-2	3	300.310	3.011	10	30	biogenic,in-vitro	DGEEHL
C=CCc1cccc(C=[NH+][N-]c2nnc(SC(C)C)[n-]2)c1[O-]	ZINC000005911329	181296105	/nfs/dbraw/zinc/29/61/05/181296105.db2.gz	SCDNBDYLQCINQG-CXUHLZMHSA-N	-2	3	317.418	3.185	10	30		DGEEHL
C/C(=N\[O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000019997385	182175484	/nfs/dbraw/zinc/17/54/84/182175484.db2.gz	NVEVKRSKMCIRIE-MHWRWJLKSA-N	-2	3	324.789	3.339	10	30		DGEEHL
C=CCc1cccc(C=[NH+][N-]c2nnc(SCCC)[n-]2)c1[O-]	ZINC000006044758	181308070	/nfs/dbraw/zinc/30/80/70/181308070.db2.gz	YSESFBUXQMHENR-MHWRWJLKSA-N	-2	3	317.418	3.187	10	30		DGEEHL
COc1ccc(C=CC(=O)c2cc(C(C)=O)c([O-])cc2[O-])cc1	ZINC000033984384	431817811	/nfs/dbraw/zinc/81/78/11/431817811.db2.gz	YUXJUMJXMFYOPQ-VMPITWQZSA-N	-2	3	312.321	3.205	10	30		DGEEHL
C/C(=N\[O-])c1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1	ZINC000020009241	182177224	/nfs/dbraw/zinc/17/72/24/182177224.db2.gz	YEFNGEJNFSAHOG-GIJQJNRQSA-N	-2	3	304.733	3.496	10	30		DGEEHL
C/C(=N\[O-])c1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000020013709	182177809	/nfs/dbraw/zinc/17/78/09/182177809.db2.gz	KJIKMKHRLLIWCK-GIJQJNRQSA-N	-2	3	304.733	3.496	10	30		DGEEHL
N#Cc1ccc2ccc(/C=C/c3ccc(O)c([O-])c3)nc2c1[O-]	ZINC000003828931	181047746	/nfs/dbraw/zinc/04/77/46/181047746.db2.gz	QMYNGXWWLNNZRF-LZCJLJQNSA-N	-2	3	304.305	3.394	10	30		DGEEHL