smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)OC[C@H](O)COP(=O)([O-])[O-]	ZINC000004096252	560193956	/nfs/dbraw/zinc/19/39/56/560193956.db2.gz	CKTQNSWWNVYDSI-CIUDSAMLSA-N	-2	1	461.386	-3.277	10	30	in-vitro	JAEEML
[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)OC[C@@H](O)COP(=O)([O-])[O-]	ZINC000004096253	560193976	/nfs/dbraw/zinc/19/39/76/560193976.db2.gz	CKTQNSWWNVYDSI-VGMNWLOBSA-N	-2	1	461.386	-3.277	10	30	in-vitro	JAEEML
CN(C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12	ZINC000004262012	522091009	/nfs/dbraw/zinc/09/10/09/522091009.db2.gz	IWVCMVBTMGNXQD-DVJPNYBFSA-N	-2	1	460.439	-1.244	10	30	in-vitro	JAEEML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3[C@@H](O)[C@@H]12	ZINC000008602941	522035456	/nfs/dbraw/zinc/03/54/56/522035456.db2.gz	IWVCMVBTMGNXQD-YBIRIINDSA-N	-2	1	460.439	-1.244	10	30		JAEEML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3[C@@H](O)[C@@H]12	ZINC000008602942	522035136	/nfs/dbraw/zinc/03/51/36/522035136.db2.gz	IWVCMVBTMGNXQD-HXLORLFTSA-N	-2	1	460.439	-1.244	10	30		JAEEML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12	ZINC000037866004	563131067	/nfs/dbraw/zinc/13/10/67/563131067.db2.gz	IWVCMVBTMGNXQD-RKLSJVJESA-N	-2	1	460.439	-1.244	10	30		JAEEML
CN(C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3[C@@H](O)[C@@H]12	ZINC000169488163	569868281	/nfs/dbraw/zinc/86/82/81/569868281.db2.gz	IWVCMVBTMGNXQD-SXHIETKFSA-N	-2	1	460.439	-1.244	10	30		JAEEML