smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)[C@@H]([NH3+])CO)[C@@H](O)[C@H]1O	ZINC000013542770	562992756	/nfs/dbraw/zinc/99/27/56/562992756.db2.gz	HQXFJGONGJPTLZ-YTMOPEAISA-N	0	2	433.403	-3.435	1	30	in-vivo	IAEFLN
C[C@@H](O)[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000015524571	563017906	/nfs/dbraw/zinc/01/79/06/563017906.db2.gz	UPVAPSGKXAAHBG-CKTDUXNWSA-N	0	2	447.430	-3.046	1	30	in-vivo	IAEFLN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)[C@@H]([NH3+])CS)[C@@H](O)[C@H]1O	ZINC000024951193	563027432	/nfs/dbraw/zinc/02/74/32/563027432.db2.gz	FTSDEWPMACCNGN-YTMOPEAISA-N	0	2	449.471	-2.497	1	30	in-vivo	IAEFLN
C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1OC[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000040429364	563103187	/nfs/dbraw/zinc/10/31/87/563103187.db2.gz	SSGOIKMJHOVLKU-GZCSZBLOSA-N	0	2	431.431	-2.365	1	30		IAEFLN
C[C@@H](O)[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000095596326	563191529	/nfs/dbraw/zinc/19/15/29/563191529.db2.gz	UPVAPSGKXAAHBG-QAOCGQBZSA-N	0	2	447.430	-3.046	1	30		IAEFLN