smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(O)c1[O-]	ZINC000392597909	790567605	/nfs/dbraw/zinc/56/76/05/790567605.db2.gz	BVQYTGCWSMUFGF-UHFFFAOYSA-N	-2	3	250.214	-0.149	20	10		CBCDHL
O=C(NCc1nc(=O)o[n-]1)c1cccc(O)c1[O-]	ZINC001324918843	804210892	/nfs/dbraw/zinc/21/08/92/804210892.db2.gz	KHNCKDCDYMYFSW-UHFFFAOYSA-N	-2	3	251.198	-0.296	20	10		CBCDHL
O=C([O-])CCC(=O)CNC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148590094	814952899	/nfs/dbraw/zinc/95/28/99/814952899.db2.gz	BNPXHUWIRYUUOV-UHFFFAOYSA-N	-2	3	283.236	-0.033	20	10		CBCDHL
O=C(N[C@H]1SC(=O)[N-]C1=O)c1cc(O)c([O-])c(O)c1	ZINC001148586049	814951160	/nfs/dbraw/zinc/95/11/60/814951160.db2.gz	GLAHVTDSFYABMC-VIFPVBQESA-N	-2	3	284.249	-0.158	20	10		CBCDHL
O=C(NCS(=O)(=O)[O-])c1cc(O)c([O-])c(O)c1	ZINC001148590151	814952834	/nfs/dbraw/zinc/95/28/34/814952834.db2.gz	XTCBTQWRBOGBPU-UHFFFAOYSA-N	-2	3	263.227	-0.622	20	10		CBCDHL
CS(=O)(=O)c1nc(NC(=O)c2cccc(O)c2[O-])n[n-]1	ZINC000790597798	582391154	/nfs/dbraw/zinc/39/11/54/582391154.db2.gz	FUYVJDAVVIUFJI-UHFFFAOYSA-N	-2	3	298.280	-0.128	20	10		CBCDHL
CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(O)c2[O-])n1	ZINC000790597798	582391155	/nfs/dbraw/zinc/39/11/55/582391155.db2.gz	FUYVJDAVVIUFJI-UHFFFAOYSA-N	-2	3	298.280	-0.128	20	10		CBCDHL
CCO[N-]C(=O)CNC(=O)c1cccc(O)c1[O-]	ZINC000846493166	583366214	/nfs/dbraw/zinc/36/62/14/583366214.db2.gz	PZQHKCMTISTQEJ-UHFFFAOYSA-N	-2	3	254.242	-0.105	20	10		CBCDHL
O=C(Cc1nnn[n-]1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001176846003	820469004	/nfs/dbraw/zinc/46/90/04/820469004.db2.gz	WDVLRTYGAKVSBZ-UHFFFAOYSA-N	-2	3	277.240	-0.848	20	10		CBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)[O-])c1	ZINC000739998933	597028499	/nfs/dbraw/zinc/02/84/99/597028499.db2.gz	BAIQGPVDYPOZOF-UHFFFAOYSA-N	-2	3	288.281	-0.422	20	10		CBCDHL
O=C(CNS(=O)(=O)c1ncc[n-]1)c1ccc([O-])c(O)c1	ZINC001190748587	823847036	/nfs/dbraw/zinc/84/70/36/823847036.db2.gz	DQYHYNIONQHQQU-UHFFFAOYSA-N	-2	3	297.292	-0.018	20	10		CBCDHL
O=C([O-])CNC(=O)CNCc1cc(F)cc(F)c1[O-]	ZINC001262163848	826646162	/nfs/dbraw/zinc/64/61/62/826646162.db2.gz	JWLVNNYTYQHFGV-UHFFFAOYSA-N	-2	3	274.223	-0.039	20	10		CBCDHL
O=C(NCCOP(=O)([O-])[O-])c1cccc(O)c1[O-]	ZINC001148220028	814935234	/nfs/dbraw/zinc/93/52/34/814935234.db2.gz	LSPUWVRBPQWMTK-UHFFFAOYSA-N	-3	3	277.169	-0.063	20	10		CBCDHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([O-])cs1	ZINC000834324921	583120404	/nfs/dbraw/zinc/12/04/04/583120404.db2.gz	NRCJSVXYXYFBGM-UHFFFAOYSA-N	-2	3	292.338	-0.351	20	10		CBCDHL
O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cc(O)c([O-])c(O)c1	ZINC001148586048	814951400	/nfs/dbraw/zinc/95/14/00/814951400.db2.gz	GLAHVTDSFYABMC-SECBINFHSA-N	-2	3	284.249	-0.158	20	10		CBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nnn[n-]2)c1	ZINC000769871947	582337022	/nfs/dbraw/zinc/33/70/22/582337022.db2.gz	MFAVALJAZFODTQ-UHFFFAOYSA-N	-2	3	298.284	-0.471	20	10		CBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nn[n-]n2)c1	ZINC000769871947	582337023	/nfs/dbraw/zinc/33/70/23/582337023.db2.gz	MFAVALJAZFODTQ-UHFFFAOYSA-N	-2	3	298.284	-0.471	20	10		CBCDHL
O=C(NCCc1nc(=O)o[n-]1)c1cccc(O)c1[O-]	ZINC000392261467	790565260	/nfs/dbraw/zinc/56/52/60/790565260.db2.gz	RUEFIWSBHDRWKK-UHFFFAOYSA-N	-2	3	265.225	-0.253	20	10		CBCDHL