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([O-])c1cccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000409102150	564009930	/nfs/dbraw/zinc/00/99/30/564009930.db2.gz	UYARRNNUFDUNGR-UDWIEESQSA-N	-2	0	334.331	3.624	40	30		EHEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000409240851	257873646	/nfs/dbraw/zinc/87/36/46/257873646.db2.gz	QFNWHQTZTOXQRZ-CIAFOILYSA-N	-2	0	348.358	3.933	40	30		EHEBRL
C[C@H](Oc1ccc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc1)C(=O)[O-]	ZINC000408857129	564007644	/nfs/dbraw/zinc/00/76/44/564007644.db2.gz	KYHVXGCAPJBBMX-XPAGJJBOSA-N	-2	0	347.754	3.641	40	30		EHEBRL
O=C([O-])c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409097855	257879637	/nfs/dbraw/zinc/87/96/37/257879637.db2.gz	HPSAJFPLVXOQBW-UDWIEESQSA-N	-2	0	334.331	3.624	40	30		EHEBRL
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccccc2O)c1[O-]	ZINC000034206816	564050252	/nfs/dbraw/zinc/05/02/52/564050252.db2.gz	GZUIWZKZQWFGMM-CHHVJCJISA-N	-2	0	337.129	3.519	40	30		EHEBRL
Cc1ccc(C(=O)[O-])cc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000059248846	564050528	/nfs/dbraw/zinc/05/05/28/564050528.db2.gz	HPTRTLISCGTILB-UFWORHAWSA-N	-2	0	347.754	3.561	40	30		EHEBRL
Cc1c(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cccc1C(=O)[O-]	ZINC000409254341	257873089	/nfs/dbraw/zinc/87/30/89/257873089.db2.gz	WXMBXQDPDVHDKJ-CIAFOILYSA-N	-2	0	348.358	3.933	40	30		EHEBRL
C[C@H](Oc1ccc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408856095	564007667	/nfs/dbraw/zinc/00/76/67/564007667.db2.gz	PHGGVEPQKBLNGA-OVNPTBDBSA-N	-2	0	347.754	3.641	40	30		EHEBRL
O=C([O-])c1ccc(-n2cccc2/C=N/c2cccc(C(=O)[O-])c2)cc1	ZINC000409244639	257873459	/nfs/dbraw/zinc/87/34/59/257873459.db2.gz	GQZLIUVBMLZDDH-UDWIEESQSA-N	-2	0	334.331	3.624	40	30		EHEBRL
Cc1ccc(C(=O)[O-])cc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409097734	257880099	/nfs/dbraw/zinc/88/00/99/257880099.db2.gz	OJQIVDPJPMBDJF-CIAFOILYSA-N	-2	0	348.358	3.933	40	30		EHEBRL
C[C@H](Oc1ccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)cc1)C(=O)[O-]	ZINC000059678345	564050963	/nfs/dbraw/zinc/05/09/63/564050963.db2.gz	AKBXYQSTJWEEAU-XPAGJJBOSA-N	-2	0	347.754	3.641	40	30		EHEBRL
CCCCCCCCCCCC(=O)N(CCC(=O)[O-])CCC(=O)[O-]	ZINC000100931348	219111607	/nfs/dbraw/zinc/11/16/07/219111607.db2.gz	PTGGHYKWHYUMDY-UHFFFAOYSA-N	-2	0	343.464	3.685	40	30		EHEBRL
CCCCCCCCSC(=S)N(CCC(=O)[O-])CCC(=O)[O-]	ZINC000100934073	219111574	/nfs/dbraw/zinc/11/15/74/219111574.db2.gz	SHEHRJBGAFYBNP-UHFFFAOYSA-N	-2	0	349.518	3.616	40	30		EHEBRL
Cc1ccc(C(=O)[O-])cc1/N=C\c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000409244627	564011294	/nfs/dbraw/zinc/01/12/94/564011294.db2.gz	GLZOHYBTPOKIMO-MTJSOVHGSA-N	-2	0	348.358	3.933	40	30		EHEBRL
O=C([O-])c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000001245856	209720005	/nfs/dbraw/zinc/72/00/05/209720005.db2.gz	UVEZPFRCKIJTKH-YVLHZVERSA-N	-2	0	330.413	3.569	40	30		EHEBRL
C[C@@H](Oc1ccc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc1)C(=O)[O-]	ZINC000408857132	564007629	/nfs/dbraw/zinc/00/76/29/564007629.db2.gz	KYHVXGCAPJBBMX-XTTRTJGBSA-N	-2	0	347.754	3.641	40	30		EHEBRL
C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408856092	564007691	/nfs/dbraw/zinc/00/76/91/564007691.db2.gz	PHGGVEPQKBLNGA-DWOMLUCJSA-N	-2	0	347.754	3.641	40	30		EHEBRL
Cc1c(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cccc1C(=O)[O-]	ZINC000409094577	564009658	/nfs/dbraw/zinc/00/96/58/564009658.db2.gz	FAAWILSHRMHQPK-CIAFOILYSA-N	-2	0	348.358	3.933	40	30		EHEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409106184	564010114	/nfs/dbraw/zinc/01/01/14/564010114.db2.gz	MJYAVRDKJULHEP-CIAFOILYSA-N	-2	0	348.358	3.933	40	30		EHEBRL
O=C([O-])c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000408933154	564008123	/nfs/dbraw/zinc/00/81/23/564008123.db2.gz	HXSBVSLLHFAFHV-UDWIEESQSA-N	-2	0	334.331	3.624	40	30		EHEBRL
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000002762401	564013437	/nfs/dbraw/zinc/01/34/37/564013437.db2.gz	KZKHTPRKJLYLHI-DJKKODMXSA-N	-2	0	349.770	3.824	40	30		EHEBRL
Cc1c(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cccc1C(=O)[O-]	ZINC000059249129	564050586	/nfs/dbraw/zinc/05/05/86/564050586.db2.gz	BYRZBLSSQZLTRJ-UFWORHAWSA-N	-2	0	347.754	3.561	40	30		EHEBRL
C[C@@H](Oc1ccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)cc1)C(=O)[O-]	ZINC000059678346	564050955	/nfs/dbraw/zinc/05/09/55/564050955.db2.gz	AKBXYQSTJWEEAU-XTTRTJGBSA-N	-2	0	347.754	3.641	40	30		EHEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000059248962	564050538	/nfs/dbraw/zinc/05/05/38/564050538.db2.gz	CPFQCLXKGYYMET-UFWORHAWSA-N	-2	0	347.754	3.561	40	30		EHEBRL
N=C1SC(=Cc2cc(Cl)ccc2O)C([O-])=C1c1nccs1	ZINC000138678261	564130047	/nfs/dbraw/zinc/13/00/47/564130047.db2.gz	SAJAMBUXNPCJOO-MPFDYLAPSA-N	-2	0	336.825	3.920	40	30		EHEBRL