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](NC(=O)[C@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)[O-]	ZINC000003914973	560191357	/nfs/dbraw/zinc/19/13/57/560191357.db2.gz	IJFLDLYNHBRNLJ-MXWKQRLJSA-N	-1	3	402.452	-3.102	1	0	in-vitro	HAAFHM
CC[C@@H](C)[C@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000013375804	560215526	/nfs/dbraw/zinc/21/55/26/560215526.db2.gz	GZUZMJQLRANFIY-BIMSSTTISA-N	-1	3	401.460	-1.006	1	0	in-vitro	HAAFHM
CC[C@H](C)[C@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000013375805	560215483	/nfs/dbraw/zinc/21/54/83/560215483.db2.gz	GZUZMJQLRANFIY-PCFBVTGFSA-N	-1	3	401.460	-1.006	1	0	in-vitro	HAAFHM
CC[C@@H](C)[C@@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000013375806	560215459	/nfs/dbraw/zinc/21/54/59/560215459.db2.gz	GZUZMJQLRANFIY-BGBUGSAUSA-N	-1	3	401.460	-1.006	1	0	in-vitro	HAAFHM
CC[C@H](C)[C@@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000013375807	560215511	/nfs/dbraw/zinc/21/55/11/560215511.db2.gz	GZUZMJQLRANFIY-HKMMKZAXSA-N	-1	3	401.460	-1.006	1	0	in-vitro	HAAFHM
N=C1N[C@H]2[C@@H](COC(N)=O)N(O)C(=N)N3C[C@@H](OS(=O)(=O)[O-])C(O)(O)[C@@]23N1	ZINC000014508345	291159686	/nfs/dbraw/zinc/15/96/86/291159686.db2.gz	CETRDCWBMBILAL-NUELXLSOSA-N	-1	3	411.353	-4.533	1	0	endogenous,in-man	HAAFHM
N=C1N[C@@H]2[C@H](COC(N)=O)N(O)C(=N)N3C[C@H](OS(=O)(=O)[O-])C(O)(O)[C@@]23N1	ZINC000138792825	560045380	/nfs/dbraw/zinc/04/53/80/560045380.db2.gz	CETRDCWBMBILAL-GNCACROUSA-N	-1	3	411.353	-4.743	1	0	endogenous,in-man	HAAFHM
N=C1N[C@@H]2[C@H](COC(N)=O)N(O)C(=N)N3C[C@@H](OS(=O)(=O)[O-])C(O)(O)[C@@]23N1	ZINC000138792959	560045358	/nfs/dbraw/zinc/04/53/58/560045358.db2.gz	CETRDCWBMBILAL-AFCWFEKTSA-N	-1	3	411.353	-4.743	1	0	endogenous,in-man	HAAFHM
N=C1N[C@@H]2[C@H](COC(N)=O)N(O)C(=N)N3C[C@H](OS(=O)(=O)[O-])C(O)(O)[C@]23N1	ZINC000138793099	560045373	/nfs/dbraw/zinc/04/53/73/560045373.db2.gz	CETRDCWBMBILAL-LUMVGBRKSA-N	-1	3	411.353	-4.743	1	0	endogenous,in-man	HAAFHM
N=C1N[C@@H]2[C@H](COC(N)=O)N(O)C(=N)N3C[C@@H](OS(=O)(=O)[O-])C(O)(O)[C@]23N1	ZINC000138793224	560045355	/nfs/dbraw/zinc/04/53/55/560045355.db2.gz	CETRDCWBMBILAL-JVJCOLAWSA-N	-1	3	411.353	-4.743	1	0	endogenous,in-man	HAAFHM