smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1	ZINC000217355364	562877511	/nfs/dbraw/zinc/87/75/11/562877511.db2.gz	XRGXXOHUNLUDEX-UHFFFAOYSA-N	1	2	581.570	6.318	1	70		KKIFLO
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C[NH+]3CCN(C(=O)OCc4ccccc4)CC3)cc2)n1	ZINC000218481539	562877912	/nfs/dbraw/zinc/87/79/12/562877912.db2.gz	DVDWCHHLKXYBCX-WNCULLNHSA-N	1	2	558.683	5.085	1	70		KKIFLO
Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c1Cl	ZINC000218690200	562877935	/nfs/dbraw/zinc/87/79/35/562877935.db2.gz	ZIGDZHWRACJSAI-HOLBHBGLSA-N	1	2	719.926	7.146	1	70		KKIFLO
Cc1[nH]cc(-c2cccc(-c3nc4c(n3C(C)C)[C@@H](c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)[nH+]1	ZINC000217835309	562877765	/nfs/dbraw/zinc/87/77/65/562877765.db2.gz	DPBKTMYFTUQWIW-MUUNZHRXSA-N	1	2	556.497	8.195	1	70		KKIFLO
Cc1[nH]cc(-c2cccc(-c3nc4c(n3C(C)C)[C@H](c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)[nH+]1	ZINC000217835398	562877774	/nfs/dbraw/zinc/87/77/74/562877774.db2.gz	DPBKTMYFTUQWIW-NDEPHWFRSA-N	1	2	556.497	8.195	1	70		KKIFLO
COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1	ZINC000095555593	562761551	/nfs/dbraw/zinc/76/15/51/562761551.db2.gz	LAYCEAXCAXOWSD-AREMUKBSSA-N	1	2	741.770	5.611	1	70		KKIFLO
Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1	ZINC000217355255	562877528	/nfs/dbraw/zinc/87/75/28/562877528.db2.gz	KBKJGUSEDYFZNE-UHFFFAOYSA-N	1	2	594.613	6.233	1	70		KKIFLO
COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1	ZINC000095553799	562761035	/nfs/dbraw/zinc/76/10/35/562761035.db2.gz	JANLGSJXCDTCLC-AREMUKBSSA-N	1	2	744.770	5.552	1	70		KKIFLO
Cc1ccc(C[NH+]2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1	ZINC000217353163	562877508	/nfs/dbraw/zinc/87/75/08/562877508.db2.gz	XOXPZBOIVPQGPU-UHFFFAOYSA-N	1	2	644.620	7.113	1	70		KKIFLO