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](Cc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300639	563169244	/nfs/dbraw/zinc/16/92/44/563169244.db2.gz	BLBUEPBCRMDPGM-ZDUSSCGKSA-N	1	3	460.535	2.348	1	70		JEIFHO
C[C@H](Cc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300641	563169342	/nfs/dbraw/zinc/16/93/42/563169342.db2.gz	BLBUEPBCRMDPGM-CYBMUJFWSA-N	1	3	460.535	2.348	1	70		JEIFHO
Cc1ccc(NC(=O)CCc2ccc(N3C(=[NH2+])NC(=N)NC3(C)C)cc2)cc1S(=O)(=O)F	ZINC000043845642	563171127	/nfs/dbraw/zinc/17/11/27/563171127.db2.gz	GHJDKMNHSDWUIM-UHFFFAOYSA-N	1	3	460.535	2.410	1	70		JEIFHO
COc1ccc(S(=O)(=O)F)cc1NC(=O)CCc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1	ZINC000043300497	563169295	/nfs/dbraw/zinc/16/92/95/563169295.db2.gz	OQEAKECBRGOTGE-UHFFFAOYSA-N	1	3	476.534	2.110	1	70		JEIFHO
Cc1cc(NC(=O)NCc2ccc(N3C(=[NH2+])NC(=N)NC3(C)C)cc2)ccc1S(=O)(=O)F	ZINC000044201720	563171944	/nfs/dbraw/zinc/17/19/44/563171944.db2.gz	PDBGQTATRZXXMU-UHFFFAOYSA-N	1	3	461.523	2.160	1	70		JEIFHO
Cc1cc(S(=O)(=O)F)ccc1NC(=O)CCc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1	ZINC000044182047	563171860	/nfs/dbraw/zinc/17/18/60/563171860.db2.gz	ZOOUXYLNCYVOPC-UHFFFAOYSA-N	1	3	460.535	2.410	1	70		JEIFHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043300427	563169281	/nfs/dbraw/zinc/16/92/81/563169281.db2.gz	RPFKCYAUSNGWFG-UHFFFAOYSA-N	1	3	491.549	2.121	1	70		JEIFHO
COc1cc(NC(=O)CCc2ccc(N3C(=[NH2+])NC(=N)NC3(C)C)cc2)ccc1S(=O)(=O)F	ZINC000043300637	563169232	/nfs/dbraw/zinc/16/92/32/563169232.db2.gz	GXRBERZNWIFWFT-UHFFFAOYSA-N	1	3	476.534	2.110	1	70		JEIFHO
COc1ccc(NC(=O)CCc2ccc(N3C(=[NH2+])NC(=N)NC3(C)C)cc2)cc1S(=O)(=O)F	ZINC000043845608	563171149	/nfs/dbraw/zinc/17/11/49/563171149.db2.gz	IVNVGIWGCNLABW-UHFFFAOYSA-N	1	3	476.534	2.110	1	70		JEIFHO