smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(Br)cc(/C=N\c2cccc([O-])c2)c1[O-]	ZINC000409108882	564010230	/nfs/dbraw/zinc/01/02/30/564010230.db2.gz	YPHRJAQDKGXIQA-CHHVJCJISA-N	-2	3	337.129	3.519	40	30		EHEBHL
C=CCc1cc(/C=N/[O-])cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409063417	564009338	/nfs/dbraw/zinc/00/93/38/564009338.db2.gz	BKFGXCZIZIRZDI-RGVLZGJSSA-N	-2	3	341.363	3.509	40	30		EHEBHL
O=S(=O)([O-])c1ccc(-c2ccc(C=Nc3ccc([O-])cc3)o2)cc1	ZINC000245228233	564124118	/nfs/dbraw/zinc/12/41/18/564124118.db2.gz	KURAPZICTDPRKS-UHFFFAOYSA-N	-2	3	343.360	3.650	40	30		EHEBHL
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccccc2[O-])c1[O-]	ZINC000034206816	564050253	/nfs/dbraw/zinc/05/02/53/564050253.db2.gz	GZUIWZKZQWFGMM-CHHVJCJISA-N	-2	3	337.129	3.519	40	30		EHEBHL
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc([O-])cc2)c1	ZINC000003196039	257868960	/nfs/dbraw/zinc/86/89/60/257868960.db2.gz	XNDHUCRXAPISGQ-VIZOYTHASA-N	-2	3	337.129	3.519	40	30		EHEBHL
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccccc2[O-])c1	ZINC000113858312	564019737	/nfs/dbraw/zinc/01/97/37/564019737.db2.gz	LZVIOLJVLGZWGU-CHHVJCJISA-N	-2	3	337.129	3.519	40	30		EHEBHL
N=C1SC(=Cc2cc(Cl)ccc2[O-])C([O-])=C1c1nccs1	ZINC000033608362	564050184	/nfs/dbraw/zinc/05/01/84/564050184.db2.gz	SAJAMBUXNPCJOO-JHLMFHBZSA-N	-2	3	336.825	3.920	40	30		EHEBHL
Cc1ccc(O)c(/C(CC/C(=N\[O-])c2cc(O)ccc2C)=N/[O-])c1	ZINC000005541879	525331478	/nfs/dbraw/zinc/33/14/78/525331478.db2.gz	GVNBBUTYEQIKQF-VQZJLROISA-N	-2	3	328.368	3.552	40	30		EHEBHL
C=CCc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc(OCC)c1[O-]	ZINC000059678881	564050954	/nfs/dbraw/zinc/05/09/54/564050954.db2.gz	LZKAFIOVVLZGBE-YBFXNURJSA-N	-2	3	342.351	3.884	40	30		EHEBHL
[O-]/N=C(\CC([O-])(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1	ZINC000017249167	563841383	/nfs/dbraw/zinc/84/13/83/563841383.db2.gz	GVPYPKOPSXHWPD-UFWORHAWSA-N	-2	3	335.631	3.764	40	30		EHEBHL
[O-]/N=C(/CC([O-])(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1	ZINC000101210852	219119045	/nfs/dbraw/zinc/11/90/45/219119045.db2.gz	GVPYPKOPSXHWPD-UWVJOHFNSA-N	-2	3	335.631	3.764	40	30		EHEBHL
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])cc2)cc(OCC)c1[O-]	ZINC000059248876	564050555	/nfs/dbraw/zinc/05/05/55/564050555.db2.gz	SHJCERLMMBIXDW-UDWIEESQSA-N	-2	3	325.364	3.968	40	30		EHEBHL
O=S(=O)([O-])c1ccc(-c2ccc(/C=N\c3ccc([O-])cc3)o2)cc1	ZINC000016429577	564086603	/nfs/dbraw/zinc/08/66/03/564086603.db2.gz	KURAPZICTDPRKS-WQRHYEAKSA-N	-2	3	343.360	3.650	40	30		EHEBHL
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000002762401	564013438	/nfs/dbraw/zinc/01/34/38/564013438.db2.gz	KZKHTPRKJLYLHI-DJKKODMXSA-N	-2	3	349.770	3.824	40	30		EHEBHL
Cc1oc(/N=C/c2cc(Br)c([O-])cc2[O-])c(C#N)c1C	ZINC000408719129	563615496	/nfs/dbraw/zinc/61/54/96/563615496.db2.gz	JPJVRWNWJXUXLN-UBKPWBPPSA-N	-2	3	335.157	3.692	40	30		EHEBHL
C=CCc1cc(/C=N/c2cccc(C(=O)[O-])c2)cc(OCC)c1[O-]	ZINC000408849749	564007616	/nfs/dbraw/zinc/00/76/16/564007616.db2.gz	YLXFUMNBEVAQGW-UDWIEESQSA-N	-2	3	325.364	3.968	40	30		EHEBHL
COc1cc([N+](=O)[O-])cc(/C=N/c2c([O-])ccc3ccccc32)c1[O-]	ZINC000005357163	563528433	/nfs/dbraw/zinc/52/84/33/563528433.db2.gz	QUQNQQBIUVJMCF-VXLYETTFSA-N	-2	3	338.319	3.918	40	30		EHEBHL
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2cccc([O-])c2)c1	ZINC000409071195	564009502	/nfs/dbraw/zinc/00/95/02/564009502.db2.gz	FVDKNZRMXTWRKK-CHHVJCJISA-N	-2	3	337.129	3.519	40	30		EHEBHL
O=C1c2ccccc2[N-]/C1=C1/[N-]c2cc(Br)ccc2C1=O	ZINC000004293427	210162029	/nfs/dbraw/zinc/16/20/29/210162029.db2.gz	PMUIAXBFQHYSSX-BUHFOSPRSA-N	-2	3	341.164	3.577	40	30		EHEBHL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000000344748	563991423	/nfs/dbraw/zinc/99/14/23/563991423.db2.gz	DZNKLPFCQDXFGN-CAOOACKPSA-N	-2	3	334.169	3.912	40	30		EHEBHL
O=S(=O)([O-])c1ccc(-c2ccc(/C=N/c3ccc([O-])cc3)o2)cc1	ZINC000006242610	564083197	/nfs/dbraw/zinc/08/31/97/564083197.db2.gz	KURAPZICTDPRKS-WOJGMQOQSA-N	-2	3	343.360	3.650	40	30		EHEBHL
N=C1SC(=Cc2cc(Cl)ccc2[O-])C([O-])=C1c1nccs1	ZINC000138678261	564130049	/nfs/dbraw/zinc/13/00/49/564130049.db2.gz	SAJAMBUXNPCJOO-MPFDYLAPSA-N	-2	3	336.825	3.920	40	30		EHEBHL