smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)/C(=N\Nc1ccc(C)cc1)S(=O)(=O)CS(=O)(=O)/C(=N/Nc1ccc(C)cc1)C(=O)OC	ZINC000003174233	552299612	/nfs/dbraw/zinc/29/96/12/552299612.db2.gz	UJCQVTWYTYZMCI-SIHVKLMXSA-N	0	2	524.577	1.588	40	30		KDEBLN
COC(=O)/C(=N\Nc1ccc(C)cc1)S(=O)(=O)CS(=O)(=O)/C(=N\Nc1ccc(C)cc1)C(=O)OC	ZINC000097983216	554007909	/nfs/dbraw/zinc/00/79/09/554007909.db2.gz	UJCQVTWYTYZMCI-ZFQRDYFNSA-N	0	2	524.577	1.588	40	30		KDEBLN
Oc1c(Br)cc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c(O)c1Br	ZINC000100540308	554412747	/nfs/dbraw/zinc/41/27/47/554412747.db2.gz	ABBKTIUGXAVZBT-FBHDLOMBSA-N	0	2	559.219	1.927	40	30		KDEBLN
Oc1c(Br)cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(O)c1Br	ZINC000100540308	554412746	/nfs/dbraw/zinc/41/27/46/554412746.db2.gz	ABBKTIUGXAVZBT-FBHDLOMBSA-N	0	2	559.219	1.927	40	30		KDEBLN
Cc1cc(NS(=O)(=O)c2ccc(NN=C(C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)no1	ZINC000102949517	555172420	/nfs/dbraw/zinc/17/24/20/555172420.db2.gz	RIWZZQNJQDVPEF-JJIBRWJFSA-N	0	2	503.522	1.361	40	30		KDEBLN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000408939499	1066398687	/nfs/dbraw/zinc/39/86/87/1066398687.db2.gz	BIGLCYUTGJYAGL-AYCRRAHRSA-N	0	2	529.506	1.821	40	30		KDEBLN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000408939520	1066209331	/nfs/dbraw/zinc/20/93/31/1066209331.db2.gz	BIGLCYUTGJYAGL-BSKCCMASSA-N	0	2	529.506	1.821	40	30		KDEBLN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000408939524	1066209405	/nfs/dbraw/zinc/20/94/05/1066209405.db2.gz	BIGLCYUTGJYAGL-DYDJXISFSA-N	0	2	529.506	1.821	40	30		KDEBLN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000408939527	1066399009	/nfs/dbraw/zinc/39/90/09/1066399009.db2.gz	BIGLCYUTGJYAGL-FGNLTJKTSA-N	0	2	529.506	1.821	40	30		KDEBLN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000408944054	1066398467	/nfs/dbraw/zinc/39/84/67/1066398467.db2.gz	GEXDWFMQRVABSW-KVKPUHJXSA-N	0	2	529.506	1.821	40	30		KDEBLN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000408944055	1066398073	/nfs/dbraw/zinc/39/80/73/1066398073.db2.gz	GEXDWFMQRVABSW-NYQDDRTFSA-N	0	2	529.506	1.821	40	30		KDEBLN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000408944056	1066398256	/nfs/dbraw/zinc/39/82/56/1066398256.db2.gz	GEXDWFMQRVABSW-SKRRFDRZSA-N	0	2	529.506	1.821	40	30		KDEBLN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000408944057	1066399077	/nfs/dbraw/zinc/39/90/77/1066399077.db2.gz	GEXDWFMQRVABSW-ZSQDOOEGSA-N	0	2	529.506	1.821	40	30		KDEBLN