smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([NH+]2CCCCC2)cc1C(=O)[O-]	ZINC000014000362	536670733	/nfs/dbraw/zinc/67/07/33/536670733.db2.gz	IICPEBHWLVCILJ-UHFFFAOYSA-N	0	2	235.283	2.384	50	10		BECALN
COC(=O)c1scc(Br)c1O	ZINC000000082393	173922849	/nfs/dbraw/zinc/92/28/49/173922849.db2.gz	UFTXASQYKJFRKI-UHFFFAOYSA-N	0	2	237.074	2.003	50	10		BECALN
Nc1ccc(Oc2cc[nH+]c(C(=O)[O-])c2)cc1	ZINC000091301739	181723468	/nfs/dbraw/zinc/72/34/68/181723468.db2.gz	GNHAPVOOPOBNLE-UHFFFAOYSA-N	0	2	230.223	2.154	50	10		BECALN
Nc1[nH][nH]c(=O)c1N=Nc1ccccc1F	ZINC000004649642	342749861	/nfs/dbraw/zinc/74/98/61/342749861.db2.gz	SUKROSFHSYJIFW-OUKQBFOZSA-N	0	2	221.195	2.252	50	10		BECALN
CCOc1ccc(N=Nc2c(N)[nH][nH]c2=O)cc1	ZINC000252607603	521045147	/nfs/dbraw/zinc/04/51/47/521045147.db2.gz	HDAXRXYMBWSCML-UHFFFAOYSA-N	0	2	247.258	2.099	50	10		BECALN
Nc1[nH][nH]c(=O)c1N=Nc1cccc(Cl)c1	ZINC000252589343	527421863	/nfs/dbraw/zinc/42/18/63/527421863.db2.gz	AJECZIHJOITQNZ-UHFFFAOYSA-N	0	2	237.650	2.354	50	10		BECALN
O=C(C(=O)c1ccccc1O)c1ccccc1O	ZINC000038392758	384084542	/nfs/dbraw/zinc/08/45/42/384084542.db2.gz	AGAURCCLJKMAEJ-UHFFFAOYSA-N	0	2	242.230	2.163	50	10		BECALN