smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2c(C)nn(-c3ccc(F)cc3)c2C)c1	ZINC000555852591	939307003	/nfs/dbraw/zinc/30/70/03/939307003.db2.gz	KEAZAWOQHGBFDQ-NRFANRHFSA-N	-1	0	438.459	4.140	20	30		IIEDRM
C=CCc1cc(CNC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc(OC)c1OC	ZINC000797717147	939178340	/nfs/dbraw/zinc/17/83/40/939178340.db2.gz	KUJVUWSNJFYXGH-JOCHJYFZSA-N	-1	0	434.492	4.211	20	30		IIEDRM
C=CCc1cc(CNC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc(OC)c1OC	ZINC000797717148	939178326	/nfs/dbraw/zinc/17/83/26/939178326.db2.gz	KUJVUWSNJFYXGH-QFIPXVFZSA-N	-1	0	434.492	4.211	20	30		IIEDRM
C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2c(C)nn(-c3ccc(F)cc3)c2C)c1	ZINC000555852592	939307190	/nfs/dbraw/zinc/30/71/90/939307190.db2.gz	KEAZAWOQHGBFDQ-OAQYLSRUSA-N	-1	0	438.459	4.140	20	30		IIEDRM
C=CCc1cc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc(OC)c1OC	ZINC000581348207	939777551	/nfs/dbraw/zinc/77/75/51/939777551.db2.gz	IWSQDVLZOBTCQC-JOCHJYFZSA-N	-1	0	434.492	4.211	20	30		IIEDRM
CC(C)(C)OC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC000028126890	563051208	/nfs/dbraw/zinc/05/12/08/563051208.db2.gz	HFPSHBJXWIRRPK-UHFFFAOYSA-N	-1	0	437.345	4.286	20	30		IIEDRM
C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(Br)c2)c1	ZINC000684747623	939049904	/nfs/dbraw/zinc/04/99/04/939049904.db2.gz	CIUBXIIAGHZLPJ-GOSISDBHSA-N	-1	0	449.301	4.360	20	30		IIEDRM
C=CCc1cc(CNC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc(OC)c1OC	ZINC000581348208	939777511	/nfs/dbraw/zinc/77/75/11/939777511.db2.gz	IWSQDVLZOBTCQC-QFIPXVFZSA-N	-1	0	434.492	4.211	20	30		IIEDRM
C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(Br)c2)c1	ZINC000684747625	939050064	/nfs/dbraw/zinc/05/00/64/939050064.db2.gz	CIUBXIIAGHZLPJ-SFHVURJKSA-N	-1	0	449.301	4.360	20	30		IIEDRM