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-])CCC(=O)N(Cc1cccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000072107289	562721247	/nfs/dbraw/zinc/72/12/47/562721247.db2.gz	ZKNKTHGTLIQCTD-PQDCBLBRSA-N	-4	1	599.643	2.621	1	10		KFCFML
O=C([O-])CC[C@@H](NC(=O)c1cc(CNc2ccc(C=C3SC(=S)[N-]C3=O)cc2)ccc1O)C(=O)[O-]	ZINC000072109736	562721581	/nfs/dbraw/zinc/72/15/81/562721581.db2.gz	OPVCBNUZCZGGGQ-LTKMBJGESA-N	-3	1	515.569	2.541	1	10		KFCFML
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4-c4ccc5ccccc5c4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000085507084	560074364	/nfs/dbraw/zinc/07/43/64/560074364.db2.gz	XBUPGKIZFLZOBN-SQQOACJHSA-N	-2	1	588.521	2.668	1	10	biogenic,in-vitro	KFCFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)CCCS(N)(=O)=O)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539405	562755027	/nfs/dbraw/zinc/75/50/27/562755027.db2.gz	QRNRXSBSRXYRDB-KRILQTMBSA-N	-2	1	804.872	2.654	1	10		KFCFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)CS(C)(=O)=O)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539541	562755100	/nfs/dbraw/zinc/75/51/00/562755100.db2.gz	QKQFJSWIVTUZTJ-KGXZHFCSSA-N	-2	1	775.830	2.630	1	10		KFCFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)CNC(C)=O)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539559	562755150	/nfs/dbraw/zinc/75/51/50/562755150.db2.gz	CNKSLFPCEXWKAX-KRILQTMBSA-N	-2	1	754.790	2.722	1	10		KFCFML