smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c(/C=N/c2cccc(C(=O)[O-])c2)c([O-])c2ccccc21	ZINC000019418370	202006717	/nfs/dbraw/zinc/00/67/17/202006717.db2.gz	GZUIWGLPLFIUTJ-RGVLZGJSSA-N	-2	0	336.347	3.176	40	30		EGEBRL
C/C(=N\c1ccccc1C(=O)[O-])c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161200	277732169	/nfs/dbraw/zinc/73/21/69/277732169.db2.gz	BHEQJXOVDQQKFC-RGVLZGJSSA-N	-2	0	336.347	3.083	40	30		EGEBRL
CCn1c(=O)c(/C=N/c2ccc(C(=O)[O-])cc2)c([O-])c2ccccc21	ZINC000006176656	452925516	/nfs/dbraw/zinc/92/55/16/452925516.db2.gz	MWTNNCZVISROLU-RGVLZGJSSA-N	-2	0	336.347	3.176	40	30		EGEBRL
[O-]c1c(Cl)cccc1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000003897902	452787903	/nfs/dbraw/zinc/78/79/03/452787903.db2.gz	DJWLALOGGAGRSF-QGMBQPNBSA-N	-2	0	338.758	3.311	40	30		EGEBRL
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000408854162	457589014	/nfs/dbraw/zinc/58/90/14/457589014.db2.gz	YVVBDNHQSDXPPR-FGHSJCFPSA-N	-2	0	327.336	3.296	40	30		EGEBRL
O=C([O-])COc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c([O-])c1	ZINC000005669469	527617801	/nfs/dbraw/zinc/61/78/01/527617801.db2.gz	BBEZUHJQOQCINV-SOFGYWHQSA-N	-2	0	338.315	3.498	40	30		EGEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000059249471	454254138	/nfs/dbraw/zinc/25/41/38/454254138.db2.gz	FXMVXGYYEDERMN-AINDZBIGSA-N	-2	0	327.336	3.296	40	30		EGEBRL
CCn1c(=O)c(/C=N/c2ccccc2C(=O)[O-])c([O-])c2ccccc21	ZINC000019418368	212025825	/nfs/dbraw/zinc/02/58/25/212025825.db2.gz	LNIYGPGUCKUDHI-RGVLZGJSSA-N	-2	0	336.347	3.176	40	30		EGEBRL
Cc1c(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cccc1C(=O)[O-]	ZINC000059302888	257850381	/nfs/dbraw/zinc/85/03/81/257850381.db2.gz	HHHSHEIUNOOBLE-NJDFMEINSA-N	-2	0	327.336	3.296	40	30		EGEBRL
C/C(=N\c1ccc(C(=O)[O-])cc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000005725447	452897293	/nfs/dbraw/zinc/89/72/93/452897293.db2.gz	ARRRRVOBTVOJPC-RGVLZGJSSA-N	-2	0	336.347	3.083	40	30		EGEBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408742676	457587953	/nfs/dbraw/zinc/58/79/53/457587953.db2.gz	XRMFDULNNWIEKX-YFEUJDIGSA-N	-2	0	338.323	3.042	40	30		EGEBRL
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000408854163	257887614	/nfs/dbraw/zinc/88/76/14/257887614.db2.gz	YVVBDNHQSDXPPR-ZTPSMGMTSA-N	-2	0	327.336	3.296	40	30		EGEBRL
Cc1c(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cccc1C(=O)[O-]	ZINC000059302891	454256430	/nfs/dbraw/zinc/25/64/30/454256430.db2.gz	HHHSHEIUNOOBLE-AINDZBIGSA-N	-2	0	327.336	3.296	40	30		EGEBRL
O=C([O-])COc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000059303162	454257164	/nfs/dbraw/zinc/25/71/64/454257164.db2.gz	WFRRMGSNYXUSTD-QGMBQPNBSA-N	-2	0	333.727	3.252	40	30		EGEBRL
O=C([O-])c1ccc(C/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000408932368	457590462	/nfs/dbraw/zinc/59/04/62/457590462.db2.gz	WGZOVCXTXXMFLL-FYJGNVAPSA-N	-2	0	348.358	3.493	40	30		EGEBRL
O=C([O-])c1cc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1	ZINC000020457324	212132938	/nfs/dbraw/zinc/13/29/38/212132938.db2.gz	VDLUMZBLVKDMLS-RFFZPADBSA-N	-2	0	340.291	3.407	40	30		EGEBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000408741931	257889594	/nfs/dbraw/zinc/88/95/94/257889594.db2.gz	STLNRBDKWBWHQG-YFEUJDIGSA-N	-2	0	338.323	3.042	40	30		EGEBRL
CCCCCCCCCCCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000085808238	454040005	/nfs/dbraw/zinc/04/00/05/454040005.db2.gz	AVBJHQDHVYGQLS-CQSZACIVSA-N	-2	0	329.437	3.342	40	30		EGEBRL
O=C([O-])COc1ccc(/C=N/Cc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000408853146	457588975	/nfs/dbraw/zinc/58/89/75/457588975.db2.gz	MARNCCUZYGXZGC-DJKKODMXSA-N	-2	0	347.754	3.121	40	30		EGEBRL
O=C([O-])COc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000408845216	257887550	/nfs/dbraw/zinc/88/75/50/257887550.db2.gz	LONCCOKRVZGZPD-QGMBQPNBSA-N	-2	0	333.727	3.252	40	30		EGEBRL
N=C1SC(=Cc2ccc(C(=O)[O-])cc2)C([O-])=C1c1nccs1	ZINC000034805023	453921339	/nfs/dbraw/zinc/92/13/39/453921339.db2.gz	LZSNLZBGGKYETD-YHXJBOQGSA-N	-2	0	330.390	3.259	40	30		EGEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000059249468	257850591	/nfs/dbraw/zinc/85/05/91/257850591.db2.gz	FXMVXGYYEDERMN-NJDFMEINSA-N	-2	0	327.336	3.296	40	30		EGEBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408742674	457587670	/nfs/dbraw/zinc/58/76/70/457587670.db2.gz	XRMFDULNNWIEKX-XKYMITNMSA-N	-2	0	338.323	3.042	40	30		EGEBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000408741930	457587872	/nfs/dbraw/zinc/58/78/72/457587872.db2.gz	STLNRBDKWBWHQG-XKYMITNMSA-N	-2	0	338.323	3.042	40	30		EGEBRL