smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[N-]NC(=O)CN2CCN(C(=O)[O-])CC2=O)n[nH]1	ZINC000829956184	604927532	/nfs/dbraw/zinc/92/75/32/604927532.db2.gz	DJGNRQSJBPVQMB-UHFFFAOYSA-N	-2	1	324.297	-1.699	20	50		DAGDML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cn1	ZINC001599617125	994030905	/nfs/dbraw/zinc/03/09/05/994030905.db2.gz	JWJWGFWUNKTKHB-UHFFFAOYSA-N	-3	1	304.284	-1.333	20	50		DAGDML
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-]	ZINC000833935966	605390969	/nfs/dbraw/zinc/39/09/69/605390969.db2.gz	TYGFZDLKWSMVOR-UHFFFAOYSA-N	-4	1	321.267	-1.137	20	50		DAGDML
O=C([O-])NCC(=O)NNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000834202761	605407072	/nfs/dbraw/zinc/40/70/72/605407072.db2.gz	AFAZTRNTKIXZFO-UHFFFAOYSA-N	-2	1	305.250	-1.048	20	50		DAGDML
O=C([O-])CN1CCC[C@@H](C(=O)N[N-]C(=O)c2cc[nH]n2)C1=O	ZINC001595082808	951702022	/nfs/dbraw/zinc/70/20/22/951702022.db2.gz	LQYSAZGOMDMQPS-ZETCQYMHSA-N	-2	1	309.282	-1.506	20	50		DAGDML
O=C([O-])CN1CCC[C@H](C(=O)N[N-]C(=O)c2cc[nH]n2)C1=O	ZINC001595082806	951701761	/nfs/dbraw/zinc/70/17/61/951701761.db2.gz	LQYSAZGOMDMQPS-SSDOTTSWSA-N	-2	1	309.282	-1.506	20	50		DAGDML
Cn1c(Cl)ncc1S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-]	ZINC000833943723	605390983	/nfs/dbraw/zinc/39/09/83/605390983.db2.gz	OKFVZRPIBYDXFG-UHFFFAOYSA-N	-3	1	311.707	-1.349	20	50		DAGDML
O=C([O-])Cn1cccc(C(=O)N[N-]C(=O)c2ccnnc2)c1=O	ZINC001606355231	973808685	/nfs/dbraw/zinc/80/86/85/973808685.db2.gz	MNBCCBGVNDCGSU-UHFFFAOYSA-N	-2	1	317.261	-1.202	20	50		DAGDML
Cn1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])nc1Cl	ZINC000833949986	605391018	/nfs/dbraw/zinc/39/10/18/605391018.db2.gz	CMEOJXAVKLWREK-UHFFFAOYSA-N	-3	1	311.707	-1.349	20	50		DAGDML
O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cn[nH]n1	ZINC000738137064	945239304	/nfs/dbraw/zinc/23/93/04/945239304.db2.gz	QXDIZNHMBQDLGM-UHFFFAOYSA-N	-2	1	300.242	-1.545	20	50		DAGDML
O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cn[nH]n1	ZINC000738137064	945239312	/nfs/dbraw/zinc/23/93/12/945239312.db2.gz	QXDIZNHMBQDLGM-UHFFFAOYSA-N	-2	1	300.242	-1.545	20	50		DAGDML
COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])o1	ZINC000833880837	605391745	/nfs/dbraw/zinc/39/17/45/605391745.db2.gz	ORLVDKCRMQABMG-UHFFFAOYSA-N	-3	1	321.267	-1.357	20	50		DAGDML
Cc1ccc(C(=O)[N-]NC(=O)Cn2cnc(-c3nn[n-]n3)n2)o1	ZINC000822226190	946004213	/nfs/dbraw/zinc/00/42/13/946004213.db2.gz	GWYBLGCUIZMCSQ-UHFFFAOYSA-N	-2	1	317.269	-1.179	20	50		DAGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000834204038	605393933	/nfs/dbraw/zinc/39/39/33/605393933.db2.gz	SPGXPFYGTWLEJW-UHFFFAOYSA-N	-3	1	317.279	-1.008	20	50		DAGDML
Cn1cnc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])c1Cl	ZINC000833958432	605390932	/nfs/dbraw/zinc/39/09/32/605390932.db2.gz	GHJRPYZRXKCGDB-UHFFFAOYSA-N	-3	1	311.707	-1.349	20	50		DAGDML