smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(NC(=S)NCCO)ccc1-c1c2ccc([O-])cc2oc2cc(=O)ccc1-2	ZINC000028862468	563083260	/nfs/dbraw/zinc/08/32/60/563083260.db2.gz	RVDKKVUJQIHRCB-UHFFFAOYSA-N	-2	0	450.472	3.247	1	5		JGBFRL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4[N+](=O)[O-])c3[O-])nc2c1	ZINC000014955449	563007412	/nfs/dbraw/zinc/00/74/12/563007412.db2.gz	PFMNUTNXLWAKMB-CQSZACIVSA-N	-2	0	489.444	3.438	1	5		JGBFRL
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000002014078	562924603	/nfs/dbraw/zinc/92/46/03/562924603.db2.gz	UJDJNIQBILGFRO-NRFANRHFSA-N	-2	0	488.500	3.045	1	5		JGBFRL
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s4)cc3c2c(=O)[nH]1	ZINC000013735348	562985824	/nfs/dbraw/zinc/98/58/24/562985824.db2.gz	HUVYGVTXIYXRCU-KRWDZBQOSA-N	-2	0	494.529	3.106	1	5		JGBFRL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4[N+](=O)[O-])c3[O-])nc2c1	ZINC000014956833	563007674	/nfs/dbraw/zinc/00/76/74/563007674.db2.gz	PFMNUTNXLWAKMB-AWEZNQCLSA-N	-2	0	489.444	3.438	1	5		JGBFRL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000025248324	563020521	/nfs/dbraw/zinc/02/05/21/563020521.db2.gz	CIEUJIMBMJNLDF-UHFFFAOYSA-N	-2	0	491.503	3.203	3	5		JGBFRL