smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=N/c2cc(Cl)ccc2[O-])c([O-])c(Br)c1C	ZINC000004414249	204138321	/nfs/dbraw/zinc/13/83/21/204138321.db2.gz	ADNISEKQXMTLAN-CNHKJKLMSA-N	-2	3	354.631	4.881	40	30		FJEBHL
Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408955279	570702450	/nfs/dbraw/zinc/70/24/50/570702450.db2.gz	XXFXPNMYTCBBAT-JJFYIABZSA-N	-2	3	368.820	4.902	40	30		FJEBHL
Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059678392	571092268	/nfs/dbraw/zinc/09/22/68/571092268.db2.gz	MTNNADKSGADGKE-SSDVNMTOSA-N	-2	3	368.820	4.902	40	30		FJEBHL
Cc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1[O-]	ZINC000005548809	524155513	/nfs/dbraw/zinc/15/55/13/524155513.db2.gz	UATGBOBOLCJAQT-LPYMAVHISA-N	-2	3	362.385	4.656	40	30		FJEBHL
CCCCCCCCCCCCCCCCN(CC(=O)[O-])CC(=O)[O-]	ZINC000100069858	209209197	/nfs/dbraw/zinc/20/91/97/209209197.db2.gz	AFPRBBQKUYJMJD-UHFFFAOYSA-N	-2	3	357.535	4.939	40	30		FJEBHL
C/C(=N\c1cccc([O-])c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643563	222249209	/nfs/dbraw/zinc/24/92/09/222249209.db2.gz	BUPZUZGTXCHIFF-BUVRLJJBSA-N	-2	3	370.408	4.543	40	30		FJEBHL
Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408956724	570702854	/nfs/dbraw/zinc/70/28/54/570702854.db2.gz	ZNBWVVAOVLWWKT-SSDVNMTOSA-N	-2	3	368.820	4.902	40	30		FJEBHL
O=C(/C=C/c1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1)c1ccc([O-])cc1	ZINC000031870826	263392512	/nfs/dbraw/zinc/39/25/12/263392512.db2.gz	BHUYEFNOZGAZPA-OPCYYNASSA-N	-2	3	370.404	4.890	40	30		FJEBHL
O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1)c1ccc([O-])cc1	ZINC000005822396	527653748	/nfs/dbraw/zinc/65/37/48/527653748.db2.gz	BHUYEFNOZGAZPA-KNBRTIFXSA-N	-2	3	370.404	4.890	40	30		FJEBHL
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc(OCC)c1[O-]	ZINC000408842871	570691300	/nfs/dbraw/zinc/69/13/00/570691300.db2.gz	CMVGICHAMBEIPD-SRZZPIQSSA-N	-2	3	359.809	4.622	40	30		FJEBHL
CCOc1ccc(Br)c(/C=N/c2cc(Cl)ccc2[O-])c1[O-]	ZINC000005673358	207112527	/nfs/dbraw/zinc/11/25/27/207112527.db2.gz	YRAWSHVCKWKDIV-QGMBQPNBSA-N	-2	3	370.630	4.663	40	30		FJEBHL
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000037501406	208181335	/nfs/dbraw/zinc/18/13/35/208181335.db2.gz	JRQYJPYPGWICEA-MTJSOVHGSA-N	-2	3	360.442	4.657	40	30		FJEBHL
Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408845351	570691687	/nfs/dbraw/zinc/69/16/87/570691687.db2.gz	GEDBOLXVUFNEES-JJFYIABZSA-N	-2	3	368.820	4.902	40	30		FJEBHL
C=CCc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)cc(OCC)c1[O-]	ZINC000059247891	571088502	/nfs/dbraw/zinc/08/85/02/571088502.db2.gz	MXTBJFYKPLNJIQ-SRZZPIQSSA-N	-2	3	359.809	4.622	40	30		FJEBHL