smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](N[C@@H](CCc1cccc2ccccc21)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000026852088	581094829	/nfs/dbraw/zinc/09/48/29/581094829.db2.gz	CTHFSMGTKMPAKM-MDASCCDHSA-N	-2	1	398.459	2.279	1	0		GEAFML
O=C([O-])CC[C@H](NC(=O)c1ccc(C=C2SC(=S)[N-]C2=O)cc1)C(=O)[O-]	ZINC000043059456	205082475	/nfs/dbraw/zinc/08/24/75/205082475.db2.gz	WTDHGQVHFUZGJX-QBQSQJOESA-N	-3	1	394.430	2.064	1	0		GEAFML
CN1O[C@@H](c2ccccc2)[C@H](C(=O)c2cc(O)ccc2O)[C@H]1P(=O)([O-])[O-]	ZINC000071329585	205282370	/nfs/dbraw/zinc/28/23/70/205282370.db2.gz	QHWYHCJFDMCULK-BHYGNILZSA-N	-2	1	379.305	2.019	1	0		GEAFML
O=C([O-])CC[C@H](NC(=O)c1cccc(C=C2SC(=S)[N-]C2=O)c1)C(=O)[O-]	ZINC000072179254	205317176	/nfs/dbraw/zinc/31/71/76/205317176.db2.gz	SCUUCAIGDKOBHG-QBQSQJOESA-N	-3	1	394.430	2.064	1	0		GEAFML
C[C@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@H]1C(=O)[O-]	ZINC000253632656	581094746	/nfs/dbraw/zinc/09/47/46/581094746.db2.gz	CUKQMSYVQGXHKG-KYNGSXCRSA-N	-2	1	396.443	2.219	1	0		GEAFML
CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1OCC(=O)[O-]	ZINC000014965099	207034186	/nfs/dbraw/zinc/03/41/86/207034186.db2.gz	WJXABXZRNKBCSN-UHFFFAOYSA-N	-3	1	397.380	2.351	1	0		GEAFML
C[C@@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H]1C(=O)[O-]	ZINC000029566080	207364795	/nfs/dbraw/zinc/36/47/95/207364795.db2.gz	CUKQMSYVQGXHKG-MDASCCDHSA-N	-2	1	396.443	2.219	1	0		GEAFML
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3cccc(F)c3[O-])[n-]c12	ZINC000095588839	208236817	/nfs/dbraw/zinc/23/68/17/208236817.db2.gz	NYWABVWSBQZVDY-UHFFFAOYSA-N	-2	1	391.380	2.409	1	0		GEAFML
O=C([O-])[C@H]1CC[C@@H](n2c(=O)cc([O-])n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678131	208394979	/nfs/dbraw/zinc/39/49/79/208394979.db2.gz	AIPRKMQHUFVEPR-GXTWGEPZSA-N	-2	1	378.812	2.317	1	0		GEAFML
O=C([O-])c1sc(Br)c(Br)c1OCc1nn[n-]n1	ZINC000028886770	207351357	/nfs/dbraw/zinc/35/13/57/207351357.db2.gz	NLPCWORVKRHQFL-UHFFFAOYSA-N	-2	1	384.009	2.063	1	0		GEAFML
C[C@@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H]1C(=O)[O-]	ZINC000029566087	207364771	/nfs/dbraw/zinc/36/47/71/207364771.db2.gz	CUKQMSYVQGXHKG-NIKGAXFTSA-N	-2	1	396.443	2.219	1	0		GEAFML
C[C@H](N[C@@H](CCc1cccc2ccccc21)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000003814185	581094847	/nfs/dbraw/zinc/09/48/47/581094847.db2.gz	CTHFSMGTKMPAKM-JVPBZIDWSA-N	-2	1	398.459	2.279	1	0		GEAFML
C[C@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H]1C(=O)[O-]	ZINC000029566090	207364367	/nfs/dbraw/zinc/36/43/67/207364367.db2.gz	CUKQMSYVQGXHKG-GDIGMMSISA-N	-2	1	396.443	2.219	1	0		GEAFML
C[C@H](N[C@H](CCc1cccc2ccccc21)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000026852108	581094735	/nfs/dbraw/zinc/09/47/35/581094735.db2.gz	CTHFSMGTKMPAKM-GDIGMMSISA-N	-2	1	398.459	2.279	1	0		GEAFML
C[C@@H](N[C@H](CCc1cccc2ccccc21)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000026852100	581094823	/nfs/dbraw/zinc/09/48/23/581094823.db2.gz	CTHFSMGTKMPAKM-NIKGAXFTSA-N	-2	1	398.459	2.279	1	0		GEAFML
O=C([O-])Cc1nn(Cc2nc3cc(O)cc([O-])c3s2)c(=O)c2ccccc12	ZINC000013860786	221291486	/nfs/dbraw/zinc/29/14/86/221291486.db2.gz	KDKDGCCACGVEKM-UHFFFAOYSA-N	-2	1	383.385	2.093	1	0		GEAFML
C[C@H](N[C@H](CCc1cccc2ccccc21)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013590062	221275703	/nfs/dbraw/zinc/27/57/03/221275703.db2.gz	CTHFSMGTKMPAKM-KYNGSXCRSA-N	-2	1	398.459	2.279	1	0		GEAFML
COc1ccc([C@@H]2ON(C)[C@H](P(=O)([O-])[O-])[C@H]2C(=O)c2ccccc2O)cc1	ZINC000071318209	222180821	/nfs/dbraw/zinc/18/08/21/222180821.db2.gz	KXWJWGVSFONQTA-RYQLBKOJSA-N	-2	1	393.332	2.322	1	0		GEAFML
C[C@@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@H]1C(=O)[O-]	ZINC000036222703	581094837	/nfs/dbraw/zinc/09/48/37/581094837.db2.gz	CUKQMSYVQGXHKG-CCKFTAQKSA-N	-2	1	396.443	2.219	1	0		GEAFML
C[C@H](N[C@@H](CCc1cccc2ccccc21)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000026852096	581094799	/nfs/dbraw/zinc/09/47/99/581094799.db2.gz	CTHFSMGTKMPAKM-ZOCIIQOWSA-N	-2	1	398.459	2.279	1	0		GEAFML
O=c1c2c([O-])c(I)c([O-])cc2ncn1-c1ccc(O)cc1	ZINC000013685409	221280713	/nfs/dbraw/zinc/28/07/13/221280713.db2.gz	FUWLQYUIXLVECC-UHFFFAOYSA-N	-2	1	396.140	2.107	1	0		GEAFML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H]1C(=O)[O-]	ZINC000029566084	581094821	/nfs/dbraw/zinc/09/48/21/581094821.db2.gz	CUKQMSYVQGXHKG-ZOCIIQOWSA-N	-2	1	396.443	2.219	1	0		GEAFML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@H]1C(=O)[O-]	ZINC000036222701	581094827	/nfs/dbraw/zinc/09/48/27/581094827.db2.gz	CUKQMSYVQGXHKG-JVPBZIDWSA-N	-2	1	396.443	2.219	1	0		GEAFML