smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000001550716	562921230	/nfs/dbraw/zinc/92/12/30/562921230.db2.gz	VIXZBRNAXCGCCC-UHFFFAOYSA-N	-2	0	480.385	3.822	1	5		JHBFRL
CCCc1c2nc(C(=O)[O-])cc([S@@](=O)Oc3ccccc3)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029230734	563099041	/nfs/dbraw/zinc/09/90/41/563099041.db2.gz	LUJNMYODVBPGOO-MGBGTMOVSA-N	-2	0	467.455	3.792	1	5		JHBFRL
C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)CNc1ccc([N+](=O)[O-])cc1	ZINC000033917559	563111305	/nfs/dbraw/zinc/11/13/05/563111305.db2.gz	UYGWTXKKVFWKKS-NCLYQNMFSA-N	-3	0	450.321	3.906	1	5		JHBFRL
CC(=O)Nc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000013580654	562975717	/nfs/dbraw/zinc/97/57/17/562975717.db2.gz	UREVCBHMCDVYLI-UHFFFAOYSA-N	-2	0	479.401	3.994	1	5		JHBFRL
CC[C@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3cc4c(c([O-])c3c2o1)C(=O)CC[C@@H]4OC(C)=O	ZINC000013890085	560220776	/nfs/dbraw/zinc/22/07/76/560220776.db2.gz	OBQDKVJMMATTQP-CUAXAMRHSA-N	-2	0	480.469	3.884	1	5	in-vitro	JHBFRL
CCCc1c2nc(C(=O)[O-])cc([S@](=O)Oc3ccccc3)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029230740	563099059	/nfs/dbraw/zinc/09/90/59/563099059.db2.gz	LUJNMYODVBPGOO-XIFFEERXSA-N	-2	0	467.455	3.792	1	5		JHBFRL
CC[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3cc4c(c([O-])c3c2o1)C(=O)CC[C@@H]4OC(C)=O	ZINC000013890087	560220780	/nfs/dbraw/zinc/22/07/80/560220780.db2.gz	OBQDKVJMMATTQP-DFXHWTJYSA-N	-2	0	480.469	3.884	1	5	in-vitro	JHBFRL
CCCc1c2nc(C(=O)[O-])cc(S(=O)(=O)c3ccccc3)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029547889	563106079	/nfs/dbraw/zinc/10/60/79/563106079.db2.gz	SMSHMPOQDMPODO-UHFFFAOYSA-N	-2	0	467.455	3.523	1	5		JHBFRL