smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1C[C@H](O)C1	ZINC000218154178	189713589	/nfs/dbraw/zinc/71/35/89/189713589.db2.gz	ANLINYDKCGHBQO-UBHAPETDSA-N	-1	1	283.755	2.325	50	70		CEIAMM
CCN(CC1CCOCC1)C(=O)c1ccc([O-])c(F)c1	ZINC000218180125	189713607	/nfs/dbraw/zinc/71/36/07/189713607.db2.gz	YPDRJSSGASAWON-UHFFFAOYSA-N	-1	1	281.327	2.420	50	70		CEIAMM
CN(CCc1cnn(C)c1)C(=O)c1ccc(Cl)cc1[O-]	ZINC000217215105	400307243	/nfs/dbraw/zinc/30/72/43/400307243.db2.gz	LICSKAWPXNFHSG-UHFFFAOYSA-N	-1	1	293.754	2.094	50	70		CEIAMM
O=C(N[C@@H]1CCOC1)c1c([O-])ccc2ccccc21	ZINC000217164312	400306811	/nfs/dbraw/zinc/30/68/11/400306811.db2.gz	WJGTZJDXDJTPRU-LLVKDONJSA-N	-1	1	257.289	2.064	50	70		CEIAMM
O=C(N[C@H]1CCOC1)c1c([O-])ccc2ccccc21	ZINC000217164320	400306967	/nfs/dbraw/zinc/30/69/67/400306967.db2.gz	WJGTZJDXDJTPRU-NSHDSACASA-N	-1	1	257.289	2.064	50	70		CEIAMM
COC(=O)C[C@@H](c1ccccc1)c1c([O-])cc(C)oc1=O	ZINC000218067587	400308614	/nfs/dbraw/zinc/30/86/14/400308614.db2.gz	ZWSIWHQVFBSRPN-LBPRGKRZSA-N	-1	1	288.299	2.349	50	70		CEIAMM
COC(=O)C[C@H](c1ccccc1)c1c([O-])cc(C)oc1=O	ZINC000218067514	540414517	/nfs/dbraw/zinc/41/45/17/540414517.db2.gz	ZWSIWHQVFBSRPN-GFCCVEGCSA-N	-1	1	288.299	2.349	50	70		CEIAMM
CN(CC1(CO)CCCC1)C(=O)c1ccc(F)c([O-])c1	ZINC000218084197	370205547	/nfs/dbraw/zinc/20/55/47/370205547.db2.gz	QMSWNNZEGDUMGI-UHFFFAOYSA-N	-1	1	281.327	2.156	50	70		CEIAMM
CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1C[C@H](O)C1	ZINC000218154253	370206597	/nfs/dbraw/zinc/20/65/97/370206597.db2.gz	ANLINYDKCGHBQO-XRNSZHNASA-N	-1	1	283.755	2.325	50	70		CEIAMM