smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cnn(C[C@H](NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000426719585	1126082074	/nfs/dbraw/zinc/08/20/74/1126082074.db2.gz	HSSPGXVFSIMXMQ-SFHVURJKSA-N	-1	3	426.498	3.802	20	5		IHBDHM
Cc1cc(C)n(C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000426747614	1126086508	/nfs/dbraw/zinc/08/65/08/1126086508.db2.gz	QLOHZMKMLLQLCY-SFHVURJKSA-N	-1	3	428.420	3.583	20	5		IHBDHM
Cc1cnn(C[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000426764652	1126089044	/nfs/dbraw/zinc/08/90/44/1126089044.db2.gz	XWWXBTOMTHBMPY-MRXNPFEDSA-N	-1	3	430.848	3.788	20	5		IHBDHM
Cc1cc(C)n(C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000426747613	1126086513	/nfs/dbraw/zinc/08/65/13/1126086513.db2.gz	QLOHZMKMLLQLCY-GOSISDBHSA-N	-1	3	428.420	3.583	20	5		IHBDHM
COc1cc(C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc(OC)c1	ZINC000426798919	1126091066	/nfs/dbraw/zinc/09/10/66/1126091066.db2.gz	JQALZKASWLCYHC-IBGZPJMESA-N	-1	3	443.481	3.521	20	5		IHBDHM
O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC001320873094	1126170888	/nfs/dbraw/zinc/17/08/88/1126170888.db2.gz	VVFXGBPGCGQMPW-INIZCTEOSA-N	-1	3	434.811	3.619	20	5		IHBDHM
COc1cc(C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc(OC)c1	ZINC000426798920	1126091140	/nfs/dbraw/zinc/09/11/40/1126091140.db2.gz	JQALZKASWLCYHC-LJQANCHMSA-N	-1	3	443.481	3.521	20	5		IHBDHM
Cc1cnn(C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000426764651	1126089067	/nfs/dbraw/zinc/08/90/67/1126089067.db2.gz	XWWXBTOMTHBMPY-INIZCTEOSA-N	-1	3	430.848	3.788	20	5		IHBDHM
Cc1cnn(C[C@@H](NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000426719584	1126082039	/nfs/dbraw/zinc/08/20/39/1126082039.db2.gz	HSSPGXVFSIMXMQ-GOSISDBHSA-N	-1	3	426.498	3.802	20	5		IHBDHM
O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC001320873095	1126170877	/nfs/dbraw/zinc/17/08/77/1126170877.db2.gz	VVFXGBPGCGQMPW-MRXNPFEDSA-N	-1	3	434.811	3.619	20	5		IHBDHM