smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CCCSc3nc4sc(C)c(C)c4c(=O)[n-]3)CC2)cc1	ZINC000027657221	563045352	/nfs/dbraw/zinc/04/53/52/563045352.db2.gz	WPDBZZBPSUZBDG-UHFFFAOYSA-N	-1	3	444.626	3.914	1	10		IHCFHM
COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)CC(=O)[O-])(c1ccccc1)C2=O	ZINC000028571782	563059418	/nfs/dbraw/zinc/05/94/18/563059418.db2.gz	TUEGQSDTELQDFR-OAQYLSRUSA-N	-1	3	436.291	3.726	1	10		IHCFHM
CC(=O)Nc1cc([O-])c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl	ZINC000035242383	563089582	/nfs/dbraw/zinc/08/95/82/563089582.db2.gz	BYCRLWZYHCYFOZ-UHFFFAOYSA-N	-1	3	427.766	3.888	1	10		IHCFHM
O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc3cccnc3c2[O-])CC1	ZINC000053230289	563141407	/nfs/dbraw/zinc/14/14/07/563141407.db2.gz	POIXTGWLWWVOEX-UHFFFAOYSA-N	-1	3	433.533	3.600	1	10		IHCFHM
CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3[O-])CC2)cc1	ZINC000053293691	563141745	/nfs/dbraw/zinc/14/17/45/563141745.db2.gz	VCVXLQKBVZFQCM-UHFFFAOYSA-N	-1	3	425.554	3.570	1	10		IHCFHM
CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000013491742	562990573	/nfs/dbraw/zinc/99/05/73/562990573.db2.gz	LVYNCTNJHNBWOC-UHFFFAOYSA-N	-1	3	444.539	3.980	1	10		IHCFHM
CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000013491742	562990575	/nfs/dbraw/zinc/99/05/75/562990575.db2.gz	LVYNCTNJHNBWOC-UHFFFAOYSA-N	-1	3	444.539	3.980	1	10		IHCFHM
CCOC(=O)COc1ccc(C(=O)c2ccc([O-])c(CN(C)C)c2)c(Cl)c1Cl	ZINC000029348168	563078797	/nfs/dbraw/zinc/07/87/97/563078797.db2.gz	KXVGJDPIJCJCFK-UHFFFAOYSA-N	-1	3	426.296	3.934	1	10		IHCFHM
O=C([O-])c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1	ZINC000013582471	562994797	/nfs/dbraw/zinc/99/47/97/562994797.db2.gz	JPOCGVCFCLUQHP-UHFFFAOYSA-N	-1	3	435.524	3.782	1	10		IHCFHM
COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)CC(=O)[O-])(c1ccccc1)C2=O	ZINC000028571783	563059409	/nfs/dbraw/zinc/05/94/09/563059409.db2.gz	TUEGQSDTELQDFR-NRFANRHFSA-N	-1	3	436.291	3.726	1	10		IHCFHM
O=S(=O)(c1cccc2ccccc21)N1CCN(Cc2ccc3cccnc3c2[O-])CC1	ZINC000053295966	563141849	/nfs/dbraw/zinc/14/18/49/563141849.db2.gz	GGIPYWAQEINZFD-UHFFFAOYSA-N	-1	3	433.533	3.600	1	10		IHCFHM
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3[O-])CC2)cc1	ZINC000053246835	563141609	/nfs/dbraw/zinc/14/16/09/563141609.db2.gz	HIAJIEWZOVDVLO-UHFFFAOYSA-N	-1	3	439.581	3.744	1	10		IHCFHM