smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)cc1	ZINC001219963227	1069543726	/nfs/dbraw/zinc/54/37/26/1069543726.db2.gz	SQXAXWNKUYCOQT-RXVVDRJESA-N	2	0	474.606	-0.222	20	10		JBCDRP
O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@@H]21)N1CCOCC1	ZINC001235549238	1069620949	/nfs/dbraw/zinc/62/09/49/1069620949.db2.gz	DUZWPHXOARVDHY-DBXWQHBBSA-N	2	0	465.572	-0.032	20	10		JBCDRP
O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@@H]21)N1CCOCC1	ZINC001235549243	1069621282	/nfs/dbraw/zinc/62/12/82/1069621282.db2.gz	DUZWPHXOARVDHY-WAOWUJCRSA-N	2	0	465.572	-0.032	20	10		JBCDRP
O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]21)N1CCOCC1	ZINC001235549259	1069621096	/nfs/dbraw/zinc/62/10/96/1069621096.db2.gz	FBYYLXZNFPFEAX-KCZVDYSFSA-N	2	0	478.615	-0.104	20	10		JBCDRP
O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]21)N1CCOCC1	ZINC001235549261	1069621063	/nfs/dbraw/zinc/62/10/63/1069621063.db2.gz	FBYYLXZNFPFEAX-TUNNFDKTSA-N	2	0	478.615	-0.104	20	10		JBCDRP
CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O)C(=O)NCC(N)=O	ZINC001235881389	1069621989	/nfs/dbraw/zinc/62/19/89/1069621989.db2.gz	FHZMUMSJFNZNFU-PMACEKPBSA-N	2	0	474.606	-0.101	20	10		JBCDRP
CN1CCN(c2ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(S(C)(=O)=O)c2)CC1	ZINC001236310756	1069622038	/nfs/dbraw/zinc/62/20/38/1069622038.db2.gz	ADFYYJHCZKBBEP-UHFFFAOYSA-N	2	0	454.641	-0.542	20	10		JBCDRP