smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC1CC[NH+](C)CC1)c1cccc(OCc2ccccc2)c1	ZINC000161414515	525292821	/nfs/dbraw/zinc/29/28/21/525292821.db2.gz	NMVNQQUMLSWVAB-KRWDZBQOSA-N	1	3	324.468	4.010	20	70		DIIDHO
C[C@@H](NC1CC[NH+](C)CC1)c1cccc(OCc2ccccc2)c1	ZINC000161414639	525403174	/nfs/dbraw/zinc/40/31/74/525403174.db2.gz	NMVNQQUMLSWVAB-QGZVFWFLSA-N	1	3	324.468	4.010	20	70		DIIDHO
CCS[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1	ZINC000159371214	332080065	/nfs/dbraw/zinc/08/00/65/332080065.db2.gz	GCNVTMSVSHVOIV-HKUYNNGSSA-N	1	3	324.578	4.437	20	70		DIIDHO
C[C@H]1CC[C@@H](NCc2ccc(C[NH+](C)C)cc2)c2ccccc21	ZINC000160882362	333677552	/nfs/dbraw/zinc/67/75/52/333677552.db2.gz	JIEZIVQQPLOHNK-HRAATJIYSA-N	1	3	308.469	4.476	20	70		DIIDHO
CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1	ZINC000159371462	332080023	/nfs/dbraw/zinc/08/00/23/332080023.db2.gz	GCNVTMSVSHVOIV-MJGOQNOKSA-N	1	3	324.578	4.437	20	70		DIIDHO
C[C@@H]1CC[C@H](NCc2ccc(C[NH+](C)C)cc2)c2ccccc21	ZINC000160881984	333677433	/nfs/dbraw/zinc/67/74/33/333677433.db2.gz	JIEZIVQQPLOHNK-IERDGZPVSA-N	1	3	308.469	4.476	20	70		DIIDHO
CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1	ZINC000159371337	332079982	/nfs/dbraw/zinc/07/99/82/332079982.db2.gz	GCNVTMSVSHVOIV-IEBWSBKVSA-N	1	3	324.578	4.437	20	70		DIIDHO
C[C@H]1CC[C@H](NCc2ccc(C[NH+](C)C)cc2)c2ccccc21	ZINC000160882112	333677381	/nfs/dbraw/zinc/67/73/81/333677381.db2.gz	JIEZIVQQPLOHNK-KKSFZXQISA-N	1	3	308.469	4.476	20	70		DIIDHO
CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1	ZINC000159371086	332080030	/nfs/dbraw/zinc/08/00/30/332080030.db2.gz	GCNVTMSVSHVOIV-PKOBYXMFSA-N	1	3	324.578	4.437	20	70		DIIDHO