smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000009933354	132331927	/nfs/dbraw/zinc/33/19/27/132331927.db2.gz	CDFPGMNUHUVMRY-GZTJUZNOSA-N	-1	2	448.460	2.416	50	10		IECALM
COCCOc1cc(NS(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])cc1OC	ZINC000019079592	568639791	/nfs/dbraw/zinc/63/97/91/568639791.db2.gz	WNNUATZCXDFYBN-UHFFFAOYSA-N	-1	2	439.471	2.224	50	10		IECALM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002289444	132251298	/nfs/dbraw/zinc/25/12/98/132251298.db2.gz	QGPWRRWDZBGPSD-RIYZIHGNSA-N	-1	2	430.800	2.478	50	10		IECALM
O=C([O-])Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000008916608	132298009	/nfs/dbraw/zinc/29/80/09/132298009.db2.gz	KSNIQYHXSOJHPS-VIZOYTHASA-N	-1	2	433.376	2.121	50	10		IECALM
O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1	ZINC000024113468	557137741	/nfs/dbraw/zinc/13/77/41/557137741.db2.gz	GJCGVGTXFUSEAV-UHFFFAOYSA-N	-1	2	430.404	2.045	50	10		IECALM
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000013801677	535658831	/nfs/dbraw/zinc/65/88/31/535658831.db2.gz	LZUFMFPFVCOIQB-YBEGLDIGSA-N	-1	2	440.408	2.428	50	10		IECALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000008743517	132292428	/nfs/dbraw/zinc/29/24/28/132292428.db2.gz	ZNGKQLTXXYDTNC-MHWRWJLKSA-N	-1	2	440.408	2.428	50	10		IECALM