smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc([O-])c2c(=O)cc(-c3ccccc3Cl)oc12	ZINC000013879129	563013668	/nfs/dbraw/zinc/01/36/68/563013668.db2.gz	XKYBPHWVOXMRHI-UHFFFAOYSA-N	-2	0	446.868	4.225	3	10		IICFRL
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)[O-])c(C)c2)o1	ZINC000040410115	563101652	/nfs/dbraw/zinc/10/16/52/563101652.db2.gz	NCHHIRDRTWMYQV-NDENLUEZSA-N	-2	0	430.416	4.458	1	10		IICFRL
COc1cc2oc3cc([O-])c(O)c(CCC(C)(C)O)c3c([O-])c-2c(=O)c1CC=C(C)C	ZINC000053299038	563142000	/nfs/dbraw/zinc/14/20/00/563142000.db2.gz	HPBDPXPBIKIIJO-UHFFFAOYSA-N	-2	0	428.481	4.284	1	10		IICFRL
Cc1cc(=O)n(C(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2[O-])[n-]1	ZINC000098082121	563200507	/nfs/dbraw/zinc/20/05/07/563200507.db2.gz	WHRDLHWZHJQQLF-UHFFFAOYSA-N	-2	0	428.473	4.479	1	10		IICFRL
O=C([O-])c1cc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)ccc1Cl	ZINC000036151620	563091345	/nfs/dbraw/zinc/09/13/45/563091345.db2.gz	KPJFDQSBTSOUHJ-YBEGLDIGSA-N	-2	0	443.242	4.413	1	10		IICFRL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)cc1Cl	ZINC000008435428	562949427	/nfs/dbraw/zinc/94/94/27/562949427.db2.gz	XVLQZWSQEMKEIL-YBEGLDIGSA-N	-2	0	443.242	4.413	1	10		IICFRL
O=C([O-])c1ccccc1C(=O)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1[O-]	ZINC000028468031	563055354	/nfs/dbraw/zinc/05/53/54/563055354.db2.gz	VWRZYKPEJGVWKP-WEVVVXLNSA-N	-2	0	427.412	4.451	1	10		IICFRL
O=C([O-])c1ccc(C(=O)c2ccc3ccc(/C=C/c4ccc(O)c(O)c4)nc3c2[O-])cc1	ZINC000028455678	563054721	/nfs/dbraw/zinc/05/47/21/563054721.db2.gz	ARINVWUCCKZCAL-XLUWADSXSA-N	-2	0	427.412	4.451	1	10		IICFRL
O=C([O-])c1cccc(C(=O)c2ccc3ccc(/C=C/c4ccc(O)c(O)c4)nc3c2[O-])c1	ZINC000028463907	563055182	/nfs/dbraw/zinc/05/51/82/563055182.db2.gz	QNGSYSFXRJMKLB-XBXARRHUSA-N	-2	0	427.412	4.451	1	10		IICFRL