smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2n(n1)C(=O)C([C@H](c1ccsc1)N1CCN(S(C)(=O)=O)CC1)S2	ZINC000218452766	568480550	/nfs/dbraw/zinc/48/05/50/568480550.db2.gz	CRZWHUAXBCKPSK-LBPRGKRZSA-N	0	2	413.550	1.533	50	70		HDIALN
COc1ccc([C@@H](C2Sc3ncnn3C2=O)N2CCOCC2)c(OC)c1OC	ZINC000218474425	568480772	/nfs/dbraw/zinc/48/07/72/568480772.db2.gz	LGQJDWWHYKNXOJ-ZDUSSCGKSA-N	0	2	406.464	1.944	50	70		HDIALN
Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)N1CCN(S(C)(=O)=O)CC1)S2	ZINC000218320391	568478321	/nfs/dbraw/zinc/47/83/21/568478321.db2.gz	LNQQUURTUHQGAA-AWEZNQCLSA-N	0	2	407.521	1.471	50	70		HDIALN
Cc1nc2n(n1)C(=O)C([C@@H](c1ccsc1)N1CCN(S(C)(=O)=O)CC1)S2	ZINC000218452677	568480585	/nfs/dbraw/zinc/48/05/85/568480585.db2.gz	CRZWHUAXBCKPSK-GFCCVEGCSA-N	0	2	413.550	1.533	50	70		HDIALN
CS(=O)(=O)N1CCN([C@@H](c2cccc(F)c2)C2Sc3ncnn3C2=O)CC1	ZINC000218481819	568480851	/nfs/dbraw/zinc/48/08/51/568480851.db2.gz	VSTKMXWBQIYHSI-ZDUSSCGKSA-N	0	2	411.484	1.302	50	70		HDIALN
CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3ccc(OC(F)(F)F)cc3c2=O)CC1	ZINC000218220433	568476520	/nfs/dbraw/zinc/47/65/20/568476520.db2.gz	WIRCHXMMRYVJEK-UHFFFAOYSA-N	0	2	419.381	1.556	50	70		HDIALN
CS(=O)(=O)N1CCN([C@H](c2cccc(F)c2)C2Sc3ncnn3C2=O)CC1	ZINC000218481889	568480895	/nfs/dbraw/zinc/48/08/95/568480895.db2.gz	VSTKMXWBQIYHSI-CYBMUJFWSA-N	0	2	411.484	1.302	50	70		HDIALN
COc1ccc([C@H](C2Sc3ncnn3C2=O)N2CCOCC2)c(OC)c1OC	ZINC000218474507	568480720	/nfs/dbraw/zinc/48/07/20/568480720.db2.gz	LGQJDWWHYKNXOJ-CYBMUJFWSA-N	0	2	406.464	1.944	50	70		HDIALN
Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)N1CCN(S(C)(=O)=O)CC1)S2	ZINC000218320312	568478373	/nfs/dbraw/zinc/47/83/73/568478373.db2.gz	LNQQUURTUHQGAA-CQSZACIVSA-N	0	2	407.521	1.471	50	70		HDIALN