smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N=Nc2c(C)[n-][nH]c2=O)cc1	ZINC000013523587	175050631	/nfs/dbraw/zinc/05/06/31/175050631.db2.gz	OGYRNVQTRPIILW-YPKPFQOOSA-N	-1	0	232.243	2.848	1	10		BFCFRM
Cc1ccc2c(c1C)N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000103967232	178962028	/nfs/dbraw/zinc/96/20/28/178962028.db2.gz	UORZCPZFZNBVDZ-JTNHKYCSSA-N	-1	0	243.306	2.842	1	10		BFCFRM
CC(C)(C)c1cc(=O)c2cc(O)c([O-])cc2o1	ZINC000028875430	188283720	/nfs/dbraw/zinc/28/37/20/188283720.db2.gz	ZQWUTROGYWCKJU-UHFFFAOYSA-N	-1	0	234.251	2.502	1	10		BFCFRM
CC(C)=CCc1cc(/C=C/C(=O)[O-])cc(O)c1O	ZINC000015114981	560228487	/nfs/dbraw/zinc/22/84/87/560228487.db2.gz	JVQIELYQOZIVPK-GQCTYLIASA-N	-1	0	248.278	2.704	1	10	in-vitro	BFCFRM
Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000002380406	177883563	/nfs/dbraw/zinc/88/35/63/177883563.db2.gz	AUAYMJLUZNBPQT-WDMOLILDSA-N	-1	0	243.306	2.842	1	10		BFCFRM
O=C1C=C([O-])C=CC1=NNc1cc(O)cc(O)c1	ZINC000095557945	183260812	/nfs/dbraw/zinc/26/08/12/183260812.db2.gz	CHDLCWUOLDGEGL-BUHFOSPRSA-N	-1	0	246.222	2.924	1	10		BFCFRM
O=C1C=CC(=NNc2ccc(O)cc2O)C([O-])=C1	ZINC000169310749	183267157	/nfs/dbraw/zinc/26/71/57/183267157.db2.gz	VGAKRTYIMTWFLK-BUHFOSPRSA-N	-1	0	246.222	2.924	1	10		BFCFRM