smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](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	522090983	/nfs/dbraw/zinc/09/09/83/522090983.db2.gz	IWVCMVBTMGNXQD-DVJPNYBFSA-N	-1	0	460.439	-1.244	10	30	in-vitro	JAEERM
C[NH+](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	522035446	/nfs/dbraw/zinc/03/54/46/522035446.db2.gz	IWVCMVBTMGNXQD-YBIRIINDSA-N	-1	0	460.439	-1.244	10	30		JAEERM
C[NH+](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	522035124	/nfs/dbraw/zinc/03/51/24/522035124.db2.gz	IWVCMVBTMGNXQD-HXLORLFTSA-N	-1	0	460.439	-1.244	10	30		JAEERM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O	ZINC000028567060	563069798	/nfs/dbraw/zinc/06/97/98/563069798.db2.gz	CHPCUEVDLWQUFT-CNEMSGBDSA-N	-1	0	465.448	-1.428	10	30		JAEERM
C[NH+](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	563131064	/nfs/dbraw/zinc/13/10/64/563131064.db2.gz	IWVCMVBTMGNXQD-RKLSJVJESA-N	-1	0	460.439	-1.244	10	30		JAEERM
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1	ZINC000040163263	563137026	/nfs/dbraw/zinc/13/70/26/563137026.db2.gz	XSPUSVIQHBDITA-KXDGEKGBSA-N	-1	0	479.504	-1.190	10	30		JAEERM
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)C[S@](=O)[C@H]12)c1csc(N)n1	ZINC000040163272	563137037	/nfs/dbraw/zinc/13/70/37/563137037.db2.gz	MMQXRUYUBYWTDP-ICXGKRFYSA-N	-1	0	471.473	-1.607	10	30	in-man	JAEERM
C=C1[C@H](CO[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C[C@@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000077292063	569705660	/nfs/dbraw/zinc/70/56/60/569705660.db2.gz	MCUVCQZONGVYQH-XLVBJRJESA-N	-1	0	453.408	-2.911	10	30	in-vitro	JAEERM
C[NH+](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	569868280	/nfs/dbraw/zinc/86/82/80/569868280.db2.gz	IWVCMVBTMGNXQD-SXHIETKFSA-N	-1	0	460.439	-1.244	10	30		JAEERM