smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843642	720650057	/nfs/dbraw/zinc/65/00/57/720650057.db2.gz	WYOYJTHPWIOTLG-FGTMMUONSA-N	0	3	465.551	2.101	20	70		JEIDHN
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843674	720650719	/nfs/dbraw/zinc/65/07/19/720650719.db2.gz	WYOYJTHPWIOTLG-OKZBNKHCSA-N	0	3	465.551	2.101	20	70		JEIDHN
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)N3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843677	720650377	/nfs/dbraw/zinc/65/03/77/720650377.db2.gz	WYOYJTHPWIOTLG-RCCFBDPRSA-N	0	3	465.551	2.101	20	70		JEIDHN
O=S(=O)(F)c1ccc(N2CC[C@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)nn1	ZINC001164751355	720914565	/nfs/dbraw/zinc/91/45/65/720914565.db2.gz	LOIPEPFOTQUELI-KNQAVFIVSA-N	0	3	461.563	2.285	20	70		JEIDHN
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)N3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843670	720650027	/nfs/dbraw/zinc/65/00/27/720650027.db2.gz	WYOYJTHPWIOTLG-KZNAEPCWSA-N	0	3	465.551	2.101	20	70		JEIDHN
O=S(=O)(F)c1ccc(N2CC[C@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)nn1	ZINC001164751359	720913684	/nfs/dbraw/zinc/91/36/84/720913684.db2.gz	LOIPEPFOTQUELI-UGKGYDQZSA-N	0	3	461.563	2.285	20	70		JEIDHN
O=S(=O)(F)c1ccc(N2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)nn1	ZINC001164751357	720914334	/nfs/dbraw/zinc/91/43/34/720914334.db2.gz	LOIPEPFOTQUELI-SIKLNZKXSA-N	0	3	461.563	2.285	20	70		JEIDHN
O=S(=O)(F)c1ccc(N2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)nn1	ZINC001164751353	720913655	/nfs/dbraw/zinc/91/36/55/720913655.db2.gz	LOIPEPFOTQUELI-DENIHFKCSA-N	0	3	461.563	2.285	20	70		JEIDHN