smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(Cl)ccc1Cl	ZINC000001213471	206226826	/nfs/dbraw/zinc/22/68/26/206226826.db2.gz	ZSGFWEYYSDMTEJ-UHFFFAOYSA-N	-2	1	352.626	4.153	50	10		FICAML
[O-]c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1Cl	ZINC000218275226	206369002	/nfs/dbraw/zinc/36/90/02/206369002.db2.gz	RKXZUAACMBGKBZ-UHFFFAOYSA-N	-2	1	367.748	4.295	50	10		FICAML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000016312154	570854286	/nfs/dbraw/zinc/85/42/86/570854286.db2.gz	KZNAGJJLGIUXCZ-MHWRWJLKSA-N	-2	1	355.825	4.381	50	10		FICAML
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000018996599	571125560	/nfs/dbraw/zinc/12/55/60/571125560.db2.gz	NLBZEXAXYYARLG-YBEGLDIGSA-N	-2	1	369.808	4.065	50	10		FICAML
Cc1ccc(S(=O)(=O)[N-]c2c(C)c(Cl)c([O-])c(Cl)c2C)cc1	ZINC000000823281	219326909	/nfs/dbraw/zinc/32/69/09/219326909.db2.gz	BUDMRIYKISQLLC-UHFFFAOYSA-N	-2	1	360.262	4.425	50	10		FICAML
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000015134524	211123975	/nfs/dbraw/zinc/12/39/75/211123975.db2.gz	CBOBSNRSPFNPPD-ZROIWOOFSA-N	-2	1	362.216	4.418	50	10		FICAML
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c1	ZINC000034234785	570658952	/nfs/dbraw/zinc/65/89/52/570658952.db2.gz	QNNYCICXXFUTTR-JYRVWZFOSA-N	-2	1	370.792	4.169	50	10		FICAML
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000100957116	570800951	/nfs/dbraw/zinc/80/09/51/570800951.db2.gz	QYQJBMYCPBIGIF-NTEUORMPSA-N	-2	1	362.216	4.418	50	10		FICAML
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000005442687	570656329	/nfs/dbraw/zinc/65/63/29/570656329.db2.gz	GGBLTMQJLNWJAL-XNTDXEJSSA-N	-2	1	355.825	4.381	50	10		FICAML
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c(C)c1	ZINC000034234778	568587929	/nfs/dbraw/zinc/58/79/29/568587929.db2.gz	ZNBBVIDYABDHCO-JYRVWZFOSA-N	-2	1	370.792	4.169	50	10		FICAML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000013881446	220098478	/nfs/dbraw/zinc/09/84/78/220098478.db2.gz	CJFRXCWLAMDRAA-NVNXTCNLSA-N	-2	1	372.471	4.430	50	10		FICAML