smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C([S-])NN=C1c2cc(S(=O)(=O)N3CCOCC3)ccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc21	ZINC000008686523	553115332	/nfs/dbraw/zinc/11/53/32/553115332.db2.gz	JCALOUXLTTVDSF-UHFFFAOYSA-N	-1	1	551.672	0.706	50	30		KCEAMM
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009302835	553236429	/nfs/dbraw/zinc/23/64/29/553236429.db2.gz	PXCZSJVVULHTFL-BBLCHGJFSA-N	-1	1	522.587	0.973	50	30		KCEAMM
COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	ZINC000013831533	553493124	/nfs/dbraw/zinc/49/31/24/553493124.db2.gz	NIFKBBMCXCMCAO-UHFFFAOYSA-N	-1	1	503.515	0.044	50	30		KCEAMM
COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)N=C([O-])Nc1nc(OC)cc(OC)n1	ZINC000013831533	553493121	/nfs/dbraw/zinc/49/31/21/553493121.db2.gz	NIFKBBMCXCMCAO-UHFFFAOYSA-N	-1	1	503.515	0.044	50	30		KCEAMM
CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](OC3=C([O-])c4ccccc4C(=O)C3=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000085867291	553687675	/nfs/dbraw/zinc/68/76/75/553687675.db2.gz	UWFFHFCGOLUSSJ-ZLOCGXGDSA-N	-1	1	808.695	0.472	50	30	biogenic	KCEAMM
C=CCn1c([O-])c(C(=O)C=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)c(=O)[nH]c1=O	ZINC000097968152	553928341	/nfs/dbraw/zinc/92/83/41/553928341.db2.gz	MKPSYMKAHVOLKY-LHUXKHBRSA-N	-1	1	533.541	0.886	50	30		KCEAMM
C=CCn1c([O-])c(C(=O)C=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)c(=O)[nH]c1=O	ZINC000097968153	553928267	/nfs/dbraw/zinc/92/82/67/553928267.db2.gz	MKPSYMKAHVOLKY-RQMBKDMJSA-N	-1	1	533.541	0.886	50	30		KCEAMM