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-])[C@H](Cc1c[nH]cn1)N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000019118071	471977072	/nfs/dbraw/zinc/97/70/72/471977072.db2.gz	AIDQXOORIDVFHA-DNIHCHEOSA-N	-2	0	328.155	2.537	40	30		EFEBRL
O=C([O-])[C@@H](Cc1c[nH]cn1)N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000019118067	212000677	/nfs/dbraw/zinc/00/06/77/212000677.db2.gz	AIDQXOORIDVFHA-FYEKIPRVSA-N	-2	0	328.155	2.537	40	30		EFEBRL
COc1cccc(/C=N/c2ccc(C(=O)[O-])cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409232036	476980866	/nfs/dbraw/zinc/98/08/66/476980866.db2.gz	GSDDBRDIWXPYMI-VSMYLPJWSA-N	-2	0	343.335	2.996	40	30		EFEBRL
COc1cccc(/C=N/c2cccc(C(=O)[O-])c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409240995	476980878	/nfs/dbraw/zinc/98/08/78/476980878.db2.gz	MSLHWQMCXQYLID-VSMYLPJWSA-N	-2	0	343.335	2.996	40	30		EFEBRL
COc1cc(/C=N/c2cccc(C(=O)[O-])c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409010522	476976913	/nfs/dbraw/zinc/97/69/13/476976913.db2.gz	KUNDXZTTXYAIOR-VURRPDKYSA-N	-2	0	343.335	2.996	40	30		EFEBRL
Cc1ccc(C(=O)[N-]S(=O)(=O)[N-]C(=O)c2ccc(C)cc2)cc1	ZINC000028294070	472221299	/nfs/dbraw/zinc/22/12/99/472221299.db2.gz	CJDHNQQABIQXQL-UHFFFAOYSA-N	-2	0	332.381	2.858	40	30		EFEBRL
C[C@@H](Oc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc1)C(=O)[O-]	ZINC000059248685	472623132	/nfs/dbraw/zinc/62/31/32/472623132.db2.gz	HFLMISIPAWJDDC-IYPWXLATSA-N	-2	0	330.296	2.903	40	30		EFEBRL
O=C1C(=O)C(C2=C([O-])C(=O)c3ccccc3C2=O)=C([O-])c2ccccc21	ZINC000100004914	472524317	/nfs/dbraw/zinc/52/43/17/472524317.db2.gz	ISTBADQWZSTTOA-UHFFFAOYSA-N	-2	0	346.294	2.769	40	30		EFEBRL
C[C@@H](Oc1ccc(/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408854572	296208340	/nfs/dbraw/zinc/20/83/40/296208340.db2.gz	IPCRTVKTOVVSML-PQQLAPNWSA-N	-2	0	329.308	2.693	40	30		EFEBRL
CCCCCCCCCC[C@H](C(=O)[O-])[C@@](O)(CCC(=O)[O-])C(=O)[O-]	ZINC000008219470	471672879	/nfs/dbraw/zinc/67/28/79/471672879.db2.gz	QFOFNCNFUGQWTO-DYVFJYSZSA-N	-3	0	346.420	2.899	40	30	biogenic,in-vitro	EFEBRL
O=C([O-])c1cc(/C=C/C(=O)c2ccccc2[O-])c2c(c1)COCO2	ZINC000004023220	210101119	/nfs/dbraw/zinc/10/11/19/210101119.db2.gz	SYNGTKATEQGTES-AATRIKPKSA-N	-2	0	326.304	2.853	40	30	biogenic	EFEBRL
[O-]/N=C1\CC/C(=N\[O-])c2nn(-c3ccc(Cl)cc3Cl)nc21	ZINC000100639716	303517092	/nfs/dbraw/zinc/51/70/92/303517092.db2.gz	SWHTVRNGLVFMQL-YPOGWSRFSA-N	-2	0	326.143	2.725	40	30		EFEBRL
COc1cc(/C=N/c2cccc(C(=O)[O-])c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409010520	476977038	/nfs/dbraw/zinc/97/70/38/476977038.db2.gz	KUNDXZTTXYAIOR-VSMYLPJWSA-N	-2	0	343.335	2.996	40	30		EFEBRL
C[C@H](Oc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc1)C(=O)[O-]	ZINC000059248683	472622441	/nfs/dbraw/zinc/62/24/41/472622441.db2.gz	HFLMISIPAWJDDC-VJCPFXPRSA-N	-2	0	330.296	2.903	40	30		EFEBRL
N=c1[n-]nc(-c2cccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])c2)s1	ZINC000408718304	476972286	/nfs/dbraw/zinc/97/22/86/476972286.db2.gz	RAMRFMURHPZHAW-CAOOACKPSA-N	-2	0	341.352	2.982	40	30		EFEBRL
COc1cccc(/C=N/c2cccc(C(=O)[O-])c2)c1O[C@H](C)C(=O)[O-]	ZINC000409240996	476981182	/nfs/dbraw/zinc/98/11/82/476981182.db2.gz	MSLHWQMCXQYLID-VURRPDKYSA-N	-2	0	343.335	2.996	40	30		EFEBRL
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]	ZINC000004102241	205686938	/nfs/dbraw/zinc/68/69/38/205686938.db2.gz	NJEWNTGSXKRWKA-MJPABCAUSA-N	-2	0	348.439	2.932	40	30	biogenic,in-vitro	EFEBRL
COc1cccc(/C=N/c2ccc(C(=O)[O-])cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409232038	476980804	/nfs/dbraw/zinc/98/08/04/476980804.db2.gz	GSDDBRDIWXPYMI-VURRPDKYSA-N	-2	0	343.335	2.996	40	30		EFEBRL
O=C([O-])COc1ccc(/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000408858997	476973240	/nfs/dbraw/zinc/97/32/40/476973240.db2.gz	UXORBWCCHWYBNU-WSVATBPTSA-N	-2	0	349.726	2.958	40	30		EFEBRL
N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000028249219	472220537	/nfs/dbraw/zinc/22/05/37/472220537.db2.gz	FVBKHWKSCPZIAH-UHFFFAOYSA-N	-2	0	342.332	2.803	40	30		EFEBRL
C[C@H](Oc1ccc(/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408854571	476973992	/nfs/dbraw/zinc/97/39/92/476973992.db2.gz	IPCRTVKTOVVSML-OAOMGELKSA-N	-2	0	329.308	2.693	40	30		EFEBRL
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000008703995	527617813	/nfs/dbraw/zinc/61/78/13/527617813.db2.gz	JJHDNEDNEKFBML-LREOWRDNSA-N	-2	0	343.291	2.660	40	30		EFEBRL