smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000015722934	507056529	/nfs/dbraw/zinc/05/65/29/507056529.db2.gz	XIYSVWVNIXUXMI-GDNBJRDFSA-N	-1	2	366.329	2.657	50	10		FFCALM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1	ZINC000096431514	968891206	/nfs/dbraw/zinc/89/12/06/968891206.db2.gz	ZPDFOHDCGABSDT-AUWJEWJLSA-N	-1	2	367.317	2.805	50	10		FFCALM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O	ZINC000015659754	1021940398	/nfs/dbraw/zinc/94/03/98/1021940398.db2.gz	RNLGHTGJAREYND-DHDCSXOGSA-N	-1	2	367.317	2.805	50	10		FFCALM
Cc1cc(C)c(NS(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])c1	ZINC000058266977	507397238	/nfs/dbraw/zinc/39/72/38/507397238.db2.gz	SNLNRANGZVXNFF-UHFFFAOYSA-N	-1	2	363.420	2.807	50	10		FFCALM
Cc1ccc(N2NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000022108423	507278663	/nfs/dbraw/zinc/27/86/63/507278663.db2.gz	XRODALWPPVLWDX-SDQBBNPISA-N	-1	2	373.752	2.724	50	10		FFCALM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1Cl	ZINC000040158021	506477521	/nfs/dbraw/zinc/47/75/21/506477521.db2.gz	PRBOKUPIESYTMH-UHFFFAOYSA-N	-1	2	369.811	2.844	50	10		FFCALM
O=C([O-])COc1cccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1	ZINC000027522769	507662234	/nfs/dbraw/zinc/66/22/34/507662234.db2.gz	SJUMQJDIMODIMF-GDNBJRDFSA-N	-1	2	366.329	2.657	50	10		FFCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC(=O)[O-])c3)C2=O)cc1	ZINC000004704233	506389744	/nfs/dbraw/zinc/38/97/44/506389744.db2.gz	SDHIXCDUIMYOPA-GDNBJRDFSA-N	-1	2	366.329	2.718	50	10		FFCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000022170628	507281475	/nfs/dbraw/zinc/28/14/75/507281475.db2.gz	REEFZOZNVZTUQC-MHWRWJLKSA-N	-1	2	364.357	2.668	50	10		FFCALM
COC(=O)c1sc(SCC(=O)[O-])c(NC(=O)c2ccccc2)c1O	ZINC000041155025	506493671	/nfs/dbraw/zinc/49/36/71/506493671.db2.gz	UDZLBTBPXOUGJB-UHFFFAOYSA-N	-1	2	367.404	2.669	50	10		FFCALM
Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)s1	ZINC000013752060	506955987	/nfs/dbraw/zinc/95/59/87/506955987.db2.gz	MBFVAYNTFXKXKZ-JYRVWZFOSA-N	-1	2	356.359	2.626	50	10		FFCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000004704494	506389263	/nfs/dbraw/zinc/38/92/63/506389263.db2.gz	REEFZOZNVZTUQC-YBEGLDIGSA-N	-1	2	364.357	2.668	50	10		FFCALM
CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc21	ZINC000225577229	509378728	/nfs/dbraw/zinc/37/87/28/509378728.db2.gz	KLBJHAXRUSYPAM-UHFFFAOYSA-N	-1	2	363.420	2.753	50	10		FFCALM
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000009042807	210251039	/nfs/dbraw/zinc/25/10/39/210251039.db2.gz	NMXUZBJHFNVAKJ-OQLLNIDSSA-N	-1	2	366.329	2.900	50	10		FFCALM
O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000000754758	219318656	/nfs/dbraw/zinc/31/86/56/219318656.db2.gz	NAGCNIXZISTDLA-UHFFFAOYSA-N	-1	2	369.811	2.844	50	10		FFCALM