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(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300639	563169243	/nfs/dbraw/zinc/16/92/43/563169243.db2.gz	BLBUEPBCRMDPGM-ZDUSSCGKSA-N	2	1	460.535	2.348	1	70		JEIFMP
C[C@H](Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300641	563169341	/nfs/dbraw/zinc/16/93/41/563169341.db2.gz	BLBUEPBCRMDPGM-CYBMUJFWSA-N	2	1	460.535	2.348	1	70		JEIFMP
Cc1ccc(NC(=O)CCc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)cc1S(=O)(=O)F	ZINC000043845642	563171126	/nfs/dbraw/zinc/17/11/26/563171126.db2.gz	GHJDKMNHSDWUIM-UHFFFAOYSA-N	2	1	460.535	2.410	1	70		JEIFMP
CN(C(=O)CCc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1)c1ccc(S(=O)(=O)F)cc1	ZINC000043300458	563169290	/nfs/dbraw/zinc/16/92/90/563169290.db2.gz	GNSOFUBOMLCNAW-UHFFFAOYSA-N	2	1	460.535	2.126	1	70		JEIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307638	563169432	/nfs/dbraw/zinc/16/94/32/563169432.db2.gz	YEWWWFDZTIIRKH-UHFFFAOYSA-N	2	1	464.548	2.261	1	70		JEIFMP
COc1ccc(S(=O)(=O)F)cc1NC(=O)CCc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	ZINC000043300497	563169294	/nfs/dbraw/zinc/16/92/94/563169294.db2.gz	OQEAKECBRGOTGE-UHFFFAOYSA-N	2	1	476.534	2.110	1	70		JEIFMP
Cc1cc(NC(=O)NCc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)ccc1S(=O)(=O)F	ZINC000044201720	563171943	/nfs/dbraw/zinc/17/19/43/563171943.db2.gz	PDBGQTATRZXXMU-UHFFFAOYSA-N	2	1	461.523	2.160	1	70		JEIFMP
Cc1cc(S(=O)(=O)F)ccc1NC(=O)CCc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	ZINC000044182047	563171859	/nfs/dbraw/zinc/17/18/59/563171859.db2.gz	ZOOUXYLNCYVOPC-UHFFFAOYSA-N	2	1	460.535	2.410	1	70		JEIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043300427	563169279	/nfs/dbraw/zinc/16/92/79/563169279.db2.gz	RPFKCYAUSNGWFG-UHFFFAOYSA-N	2	1	491.549	2.121	1	70		JEIFMP
COc1cc(NC(=O)CCc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)ccc1S(=O)(=O)F	ZINC000043300637	563169231	/nfs/dbraw/zinc/16/92/31/563169231.db2.gz	GXRBERZNWIFWFT-UHFFFAOYSA-N	2	1	476.534	2.110	1	70		JEIFMP
COc1ccc(NC(=O)CCc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)cc1S(=O)(=O)F	ZINC000043845608	563171147	/nfs/dbraw/zinc/17/11/47/563171147.db2.gz	IVNVGIWGCNLABW-UHFFFAOYSA-N	2	1	476.534	2.110	1	70		JEIFMP