smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccco1)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]31C	ZINC000049113140	563202649	/nfs/dbraw/zinc/20/26/49/563202649.db2.gz	NEHYALXUSWVOLY-DNQXCXABSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccco1)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]31C	ZINC000049113140	563202650	/nfs/dbraw/zinc/20/26/50/563202650.db2.gz	NEHYALXUSWVOLY-DNQXCXABSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccco1)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]31C	ZINC000049113140	563202651	/nfs/dbraw/zinc/20/26/51/563202651.db2.gz	NEHYALXUSWVOLY-DNQXCXABSA-N	-1	2	496.428	2.177	1	30		JEEFLM
Cc1ccc(S(=O)(=O)Nn2c([O-])c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1	ZINC000001650971	562922442	/nfs/dbraw/zinc/92/24/42/562922442.db2.gz	BSYFZGDIRGEGPL-UHFFFAOYSA-N	-1	2	451.420	2.113	1	30		JEEFLM
CS(=O)(=O)N(c1cc(C(F)(F)[P@@](=O)([O-])O)ccc1C#Cc1ccccc1)S(C)(=O)=O	ZINC000027623524	563047358	/nfs/dbraw/zinc/04/73/58/563047358.db2.gz	VDEMAQCMUKMKFV-UHFFFAOYSA-N	-1	2	479.419	2.039	1	30		JEEFLM
CS(=O)(=O)N(c1cc(C(F)(F)[P@](=O)([O-])O)ccc1C#Cc1ccccc1)S(C)(=O)=O	ZINC000027623524	563047359	/nfs/dbraw/zinc/04/73/59/563047359.db2.gz	VDEMAQCMUKMKFV-UHFFFAOYSA-N	-1	2	479.419	2.039	1	30		JEEFLM
CO[C@@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccoc1)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]31C	ZINC000049070019	563201112	/nfs/dbraw/zinc/20/11/12/563201112.db2.gz	XMGJUUVNLUTCNM-DNQXCXABSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccoc1)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]31C	ZINC000049070019	563201113	/nfs/dbraw/zinc/20/11/13/563201113.db2.gz	XMGJUUVNLUTCNM-DNQXCXABSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccoc1)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]31C	ZINC000049070019	563201114	/nfs/dbraw/zinc/20/11/14/563201114.db2.gz	XMGJUUVNLUTCNM-DNQXCXABSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccoc1)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]31C	ZINC000049070021	563201166	/nfs/dbraw/zinc/20/11/66/563201166.db2.gz	XMGJUUVNLUTCNM-BJKOFHAPSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccoc1)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]31C	ZINC000049070021	563201167	/nfs/dbraw/zinc/20/11/67/563201167.db2.gz	XMGJUUVNLUTCNM-BJKOFHAPSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccoc1)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]31C	ZINC000049070021	563201168	/nfs/dbraw/zinc/20/11/68/563201168.db2.gz	XMGJUUVNLUTCNM-BJKOFHAPSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccco1)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]31C	ZINC000049113141	563202610	/nfs/dbraw/zinc/20/26/10/563202610.db2.gz	NEHYALXUSWVOLY-BJKOFHAPSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccco1)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]31C	ZINC000049113141	563202611	/nfs/dbraw/zinc/20/26/11/563202611.db2.gz	NEHYALXUSWVOLY-BJKOFHAPSA-N	-1	2	496.428	2.177	1	30		JEEFLM
CO[C@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccco1)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]31C	ZINC000049113141	563202612	/nfs/dbraw/zinc/20/26/12/563202612.db2.gz	NEHYALXUSWVOLY-BJKOFHAPSA-N	-1	2	496.428	2.177	1	30		JEEFLM