smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc([N-]N=C3C(=O)[N-]C(=O)NC3=O)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000002520868	194162136	/nfs/dbraw/zinc/16/21/36/194162136.db2.gz	UEABLHMLTZBUCF-UHFFFAOYSA-N	-2	3	474.437	-0.231	50	30		JBEAHL
Cn1c2nc([N-]N=C3C(=O)[N-]C(=O)NC3=O)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O	ZINC000009244058	527123517	/nfs/dbraw/zinc/12/35/17/527123517.db2.gz	RQRRZVIIBPPGAV-UHFFFAOYSA-N	-2	3	460.410	-0.241	50	30		JBEAHL
Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C	ZINC000010272109	527076531	/nfs/dbraw/zinc/07/65/31/527076531.db2.gz	JRBWHZHSXANRKE-UHFFFAOYSA-N	-2	3	458.822	-0.731	50	30		JBEAHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(C[C@@H]12)[C@](C)(O)c1c(Cl)ccc([O-])c1C3=O	ZINC000015290514	522034265	/nfs/dbraw/zinc/03/42/65/522034265.db2.gz	ZWVGXYMEBVFNGR-GUQUGOGCSA-N	-2	3	476.869	-0.124	50	30	in-vitro	JBEAHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C(C[C@@H]12)[C@](C)(O)c1c(Cl)ccc([O-])c1C3=O	ZINC000015290514	522034252	/nfs/dbraw/zinc/03/42/52/522034252.db2.gz	ZWVGXYMEBVFNGR-GUQUGOGCSA-N	-2	3	476.869	-0.124	50	30	in-vitro	JBEAHL
COc1c([C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])cc(=O)c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000021992923	521882614	/nfs/dbraw/zinc/88/26/14/521882614.db2.gz	OBVZFHXNNMIIRJ-HBCLNWRISA-N	-2	3	460.391	-0.272	50	30		JBEAHL
CN(C)c1cc(N)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000022016970	522122193	/nfs/dbraw/zinc/12/21/93/522122193.db2.gz	LRNDAPDRSWLZSE-IRDJJEOVSA-N	-2	3	472.498	-0.231	50	30		JBEAHL
CN(C)c1cc(N)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000022016970	522122182	/nfs/dbraw/zinc/12/21/82/522122182.db2.gz	LRNDAPDRSWLZSE-IRDJJEOVSA-N	-2	3	472.498	-0.231	50	30		JBEAHL
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000095616382	569728263	/nfs/dbraw/zinc/72/82/63/569728263.db2.gz	USMLMJGLDDOVEI-LFJSWFSZSA-N	-2	3	459.455	-0.765	50	30		JBEAHL
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000095616383	569728202	/nfs/dbraw/zinc/72/82/02/569728202.db2.gz	USMLMJGLDDOVEI-QOULFKOMSA-N	-2	3	459.455	-0.765	50	30		JBEAHL
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000095616384	569728254	/nfs/dbraw/zinc/72/82/54/569728254.db2.gz	USMLMJGLDDOVEI-PLYBKPSTSA-N	-2	3	459.455	-0.765	50	30		JBEAHL
C[C@H]1c2ccc(N)c(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000095616385	569728239	/nfs/dbraw/zinc/72/82/39/569728239.db2.gz	USMLMJGLDDOVEI-HQBWBSHNSA-N	-2	3	459.455	-0.765	50	30		JBEAHL