smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000001923996	569059619	/nfs/dbraw/zinc/05/96/19/569059619.db2.gz	QZFIWUBICHWZBP-ODCIPOBUSA-N	-2	0	417.130	6.215	50	30		HKEARL
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000001923999	569059602	/nfs/dbraw/zinc/05/96/02/569059602.db2.gz	VVOFNKQOIXMKEK-ODCIPOBUSA-N	-2	0	417.130	6.215	50	30		HKEARL
Oc1ccccc1/N=C/c1cc(Cc2ccccc2Cl)cc(Br)c1O	ZINC000001948626	569059944	/nfs/dbraw/zinc/05/99/44/569059944.db2.gz	MZHSDVMDFFQOJZ-FSJBWODESA-N	-2	0	416.702	5.855	50	30		HKEARL
CCc1ccc2oc(-c3cc(/N=C/c4c(O)ccc5ccccc54)ccc3[O-])nc2c1	ZINC000001955267	569059961	/nfs/dbraw/zinc/05/99/61/569059961.db2.gz	JQQSXZLUYVFQDU-JFLMPSFJSA-N	-2	0	408.457	6.372	50	30		HKEARL
[O-]c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1-c1nc2ccccc2s1	ZINC000002186745	557324285	/nfs/dbraw/zinc/32/42/85/557324285.db2.gz	IZPXZLMCZBJZAF-AUEPDCJTSA-N	-2	0	415.301	6.432	50	30		HKEARL
N#Cc1c([N-]C([N-]c2ccco2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2	ZINC000002315732	569373049	/nfs/dbraw/zinc/37/30/49/569373049.db2.gz	GHSYGVQWRYTHSS-UHFFFAOYSA-N	-2	0	409.355	5.436	50	30		HKEARL
CC[C@@H](C)C(=O)[N-]C([N-]c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000002345439	569379312	/nfs/dbraw/zinc/37/93/12/569379312.db2.gz	LLQCGCIAGCJYGK-MRVPVSSYSA-N	-2	0	410.280	5.101	50	30		HKEARL
CC[C@H](C)C(=O)[N-]C([N-]c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000002345441	569379318	/nfs/dbraw/zinc/37/93/18/569379318.db2.gz	LLQCGCIAGCJYGK-QMMMGPOBSA-N	-2	0	410.280	5.101	50	30		HKEARL
CCCCC(=O)[N-]C([N-]c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000003029169	560886313	/nfs/dbraw/zinc/88/63/13/560886313.db2.gz	UWXVLWGWMJISCQ-UHFFFAOYSA-N	-2	0	410.280	5.245	50	30		HKEARL
[O-]c1cc(/N=C/c2cc(Cl)cc(Cl)c2[O-])ccc1-c1nc2ccccc2s1	ZINC000003032478	569322866	/nfs/dbraw/zinc/32/28/66/569322866.db2.gz	PTQNBSCDHJKOIK-AUEPDCJTSA-N	-2	0	415.301	6.432	50	30		HKEARL
Cc1cccc2oc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3[O-])nc21	ZINC000003114176	559274157	/nfs/dbraw/zinc/27/41/57/559274157.db2.gz	PKWJZJUINOAMAL-AUEPDCJTSA-N	-2	0	423.812	5.527	50	30		HKEARL
Cc1cccc2oc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4[O-])ccc3[O-])nc21	ZINC000003114305	559274494	/nfs/dbraw/zinc/27/44/94/559274494.db2.gz	XJANARCTSDPDNZ-YSURURNPSA-N	-2	0	413.260	6.272	50	30		HKEARL
Cc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3[O-])nc2c1	ZINC000003169625	560893271	/nfs/dbraw/zinc/89/32/71/560893271.db2.gz	VIIVRVVUHAIQRJ-AUEPDCJTSA-N	-2	0	423.812	5.527	50	30		HKEARL
Cc1cc2nc(-c3cc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc3[O-])oc2cc1C	ZINC000004614994	558858875	/nfs/dbraw/zinc/85/88/75/558858875.db2.gz	MGKUBZWBSPLYHC-FOKLQQMPSA-N	-2	0	403.394	5.182	50	30		HKEARL
Cc1cc2nc(-c3cc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc3[O-])oc2c(C)c1	ZINC000004737633	559041270	/nfs/dbraw/zinc/04/12/70/559041270.db2.gz	SSONJBSDQXZOPD-FOKLQQMPSA-N	-2	0	403.394	5.182	50	30		HKEARL
CCc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc3[O-])nc2c1	ZINC000004756414	559051538	/nfs/dbraw/zinc/05/15/38/559051538.db2.gz	QQFBTAMKYUVDKQ-FSJBWODESA-N	-2	0	403.394	5.127	50	30		HKEARL
Cc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4[O-])ccc3[O-])nc2c1	ZINC000005418058	557652530	/nfs/dbraw/zinc/65/25/30/557652530.db2.gz	LBEAELUFJVSNDE-YSURURNPSA-N	-2	0	413.260	6.272	50	30		HKEARL
Cc1cc2nc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4[O-])ccc3[O-])oc2cc1C	ZINC000005541732	560607321	/nfs/dbraw/zinc/60/73/21/560607321.db2.gz	SYJQMDFRFMFLEG-FOKLQQMPSA-N	-2	0	403.394	5.182	50	30		HKEARL
O=C([O-])c1cc(NN=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)ccc1Cl	ZINC000013583962	558545747	/nfs/dbraw/zinc/54/57/47/558545747.db2.gz	OEYULIWTDFITKX-LSFURLLWSA-N	-2	0	419.220	5.096	50	30		HKEARL
CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)([O-])[O-]	ZINC000017654921	558827628	/nfs/dbraw/zinc/82/76/28/558827628.db2.gz	BCSUWOZFWWBYSX-MDZDMXLPSA-N	-2	0	405.516	5.249	50	30	in-vitro	HKEARL
CCCCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])[O-]	ZINC000032839034	519996799	/nfs/dbraw/zinc/99/67/99/519996799.db2.gz	HUUYDUFSUADEJQ-OAQYLSRUSA-N	-2	0	424.559	5.735	50	30	endogenous,in-man	HKEARL
Cc1cccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc(C)c4[O-])ccc3[O-])nc21	ZINC000036011506	524994627	/nfs/dbraw/zinc/99/46/27/524994627.db2.gz	GLZDURZFJMTJNI-FOKLQQMPSA-N	-2	0	403.394	5.182	50	30		HKEARL
[O-]c1c(F)cc(C(c2cc(F)c([O-])c(F)c2)(C(F)(F)F)C(F)(F)F)cc1F	ZINC000095708032	559088040	/nfs/dbraw/zinc/08/80/40/559088040.db2.gz	GNEPQVKRIYTVIE-UHFFFAOYSA-N	-2	0	408.191	5.065	50	30		HKEARL
CCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)[O-])S(=O)(=O)[O-]	ZINC000100053483	571317799	/nfs/dbraw/zinc/31/77/99/571317799.db2.gz	SYJBSUCZJWZJDZ-NRFANRHFSA-N	-2	0	420.656	6.759	50	30		HKEARL
CCCCCCCCCCCCCCCCCCCC[C@H](C(=O)[O-])S(=O)(=O)[O-]	ZINC000100053487	571317806	/nfs/dbraw/zinc/31/78/06/571317806.db2.gz	SYJBSUCZJWZJDZ-OAQYLSRUSA-N	-2	0	420.656	6.759	50	30		HKEARL
CCCCCCCCCCCCCCCCCc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000101463397	560794929	/nfs/dbraw/zinc/79/49/29/560794929.db2.gz	ZEFPIJHDEATTCW-UHFFFAOYSA-N	-2	0	404.591	7.497	50	30		HKEARL
N#CC(N=Nc1cc(Cl)cc(Cl)c1[O-])=N[N-]c1cc(Cl)cc(Cl)c1[O-]	ZINC000242538940	569369886	/nfs/dbraw/zinc/36/98/86/569369886.db2.gz	JIVDOFLPGFPRRU-UHFFFAOYSA-N	-3	0	419.055	5.744	50	30		HKEARL
Cc1ccc2nc(-c3ccc(N=Cc4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3[O-])oc2c1	ZINC000252619984	569303980	/nfs/dbraw/zinc/30/39/80/569303980.db2.gz	LVLOOMYLJSHFRR-UHFFFAOYSA-N	-2	0	423.812	5.527	50	30		HKEARL