smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(c(=O)[n-]1)CCN(Cc1ccc3c(c1)CCCN3C)C2	ZINC000019576611	401822463	/nfs/dbraw/zinc/82/24/63/401822463.db2.gz	ZPKIXWAKMVBWCB-UHFFFAOYSA-N	-1	3	324.428	2.431	40	10		DECBHM
Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC000012222730	282007154	/nfs/dbraw/zinc/00/71/54/282007154.db2.gz	OUGXXFULJWLBCV-UHFFFAOYSA-N	-1	3	324.428	2.237	40	10		DECBHM
COc1cc(C(=O)C(=O)c2ccc(O)c(OC)c2)ccc1[O-]	ZINC000001747299	401710580	/nfs/dbraw/zinc/71/05/80/401710580.db2.gz	MJHMXBDRUWSJOS-UHFFFAOYSA-N	-1	3	302.282	2.181	40	10		DECBHM
COc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000069158127	134813168	/nfs/dbraw/zinc/81/31/68/134813168.db2.gz	LKKAUKIOAKKPKI-UHFFFAOYSA-N	-1	3	312.369	2.363	40	10		DECBHM
Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc3c(c1)CCCN3C)CC2	ZINC000012145339	401780453	/nfs/dbraw/zinc/78/04/53/401780453.db2.gz	FVKDLBKHXDGSII-UHFFFAOYSA-N	-1	3	324.428	2.019	40	10		DECBHM
CCCc1c([O-])n2c3cc(C)ccc3nc(N(C)C)n2c1=O	ZINC000002019585	276046567	/nfs/dbraw/zinc/04/65/67/276046567.db2.gz	MPHPHYZQRGLTBO-NSHDSACASA-N	-1	3	300.362	2.064	40	10	world	DECBHM
CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OC	ZINC000408761973	528197809	/nfs/dbraw/zinc/19/78/09/528197809.db2.gz	IVXSLAWFSJGNGN-JYRVWZFOSA-N	-1	3	320.370	2.200	40	10		DECBHM
CCOc1ccc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc1OC	ZINC000408756927	528370799	/nfs/dbraw/zinc/37/07/99/528370799.db2.gz	YIKYQWUELWJOLT-JYRVWZFOSA-N	-1	3	320.370	2.200	40	10		DECBHM
CCCCCc1n[n-]c(C(=O)OC)c1N=NN1CCOCC1	ZINC000104119093	402198372	/nfs/dbraw/zinc/19/83/72/402198372.db2.gz	AAKAOEQFXCFXKB-ISLYRVAYSA-N	-1	3	309.370	2.260	40	10		DECBHM
CCCCCc1[n-]nc(C(=O)OC)c1N=NN1CCOCC1	ZINC000104119093	402198374	/nfs/dbraw/zinc/19/83/74/402198374.db2.gz	AAKAOEQFXCFXKB-ISLYRVAYSA-N	-1	3	309.370	2.260	40	10		DECBHM
O=C1c2c([O-])ccc(O)c2C(=O)c2c(F)c(F)c(F)c(F)c21	ZINC000004974078	285013771	/nfs/dbraw/zinc/01/37/71/285013771.db2.gz	PKJLMPNJHMHOIE-UHFFFAOYSA-N	-1	3	312.174	2.430	40	10		DECBHM
Cn1nc(CNCc2ccc(O)cc2[O-])cc1C(F)(F)F	ZINC000256054620	402699988	/nfs/dbraw/zinc/69/99/88/402699988.db2.gz	XAVHXBNMXKLMIP-UHFFFAOYSA-N	-1	3	301.268	2.140	40	10		DECBHM
CCCc1c([O-])n2c3cc(C)ccc3nc(N(C)C)n2c1=O	ZINC000000005349	276026866	/nfs/dbraw/zinc/02/68/66/276026866.db2.gz	MPHPHYZQRGLTBO-LLVKDONJSA-N	-1	3	300.362	2.064	40	10	world	DECBHM
COc1ccc2cc3n(cc-2c1=O)CCc1cc([O-])c(O)cc1-3	ZINC000685936001	542767849	/nfs/dbraw/zinc/76/78/49/542767849.db2.gz	AWADIQNNYPZANL-UHFFFAOYSA-O	-1	3	310.329	2.476	40	10		DECBHM
COc1ccc(C(=O)C(=O)c2ccc([O-])c(OC)c2)cc1OC	ZINC000001595860	401709026	/nfs/dbraw/zinc/70/90/26/401709026.db2.gz	UKAOQGQKJJRFOX-UHFFFAOYSA-N	-1	3	316.309	2.484	40	10		DECBHM
COc1ccc(Cl)cc1/C=C1\SC([N-]C(C)=O)=NC1=O	ZINC000409025202	533833223	/nfs/dbraw/zinc/83/32/23/533833223.db2.gz	ROANJVPZZZMBFW-WDZFZDKYSA-N	-1	3	310.762	2.455	40	10		DECBHM
COc1ccc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc1Cl	ZINC000409026943	227249382	/nfs/dbraw/zinc/24/93/82/227249382.db2.gz	JBBIBGQFRUESRY-WDZFZDKYSA-N	-1	3	310.762	2.455	40	10		DECBHM
[O-]c1cc(O)ccc1CNCc1ccn(CC(F)(F)F)n1	ZINC000256054756	402699866	/nfs/dbraw/zinc/69/98/66/402699866.db2.gz	XPPVXZITBYLAMO-UHFFFAOYSA-N	-1	3	301.268	2.146	40	10		DECBHM
O=C([O-])c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1	ZINC000096530267	402099109	/nfs/dbraw/zinc/09/91/09/402099109.db2.gz	SGDFRSJAZBYKEC-UHFFFAOYSA-N	-1	3	312.369	2.413	40	10		DECBHM
CCCCCc1n[n-]c(C(=O)OC)c1N=NN1CCOCC1	ZINC000016932196	182065014	/nfs/dbraw/zinc/06/50/14/182065014.db2.gz	AAKAOEQFXCFXKB-ZCXUNETKSA-N	-1	3	309.370	2.260	40	10		DECBHM
CCCCCc1[n-]nc(C(=O)OC)c1N=NN1CCOCC1	ZINC000016932196	182065016	/nfs/dbraw/zinc/06/50/16/182065016.db2.gz	AAKAOEQFXCFXKB-ZCXUNETKSA-N	-1	3	309.370	2.260	40	10		DECBHM