smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCc1[nH]cc(CNc2ccc(C(=O)[O-])cc2)[nH+]1	ZINC000042990004	208298012	/nfs/dbraw/zinc/29/80/12/208298012.db2.gz	XCQRFNYVNRHNKN-UHFFFAOYSA-N	0	2	371.525	5.793	1	30		FKEFLN
CCCCCCCCCCCc1[nH]c(CNc2ccc(C(=O)[O-])cc2)c[nH+]1	ZINC000042990004	208298006	/nfs/dbraw/zinc/29/80/06/208298006.db2.gz	XCQRFNYVNRHNKN-UHFFFAOYSA-N	0	2	371.525	5.793	1	30		FKEFLN
CCCCCCCCC(=O)c1ccc(O)c(-c2nc3ccc(C)cc3[nH]2)c1	ZINC000043226667	205102743	/nfs/dbraw/zinc/10/27/43/205102743.db2.gz	MARGAYDBYQRWDN-UHFFFAOYSA-N	0	2	364.489	6.177	1	30		FKEFLN
CCCCCCCCC(=O)c1ccc(O)c(-c2nc3cc(C)ccc3[nH]2)c1	ZINC000043226667	205102738	/nfs/dbraw/zinc/10/27/38/205102738.db2.gz	MARGAYDBYQRWDN-UHFFFAOYSA-N	0	2	364.489	6.177	1	30		FKEFLN
CCCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000043443041	205102499	/nfs/dbraw/zinc/10/24/99/205102499.db2.gz	PBJXAMKQGAYFMW-UHFFFAOYSA-N	0	2	366.457	5.905	1	30		FKEFLN
O/N=C(\CSc1ccc(Cl)cc1)c1cc(Cl)sc1Cl	ZINC000095579920	209082444	/nfs/dbraw/zinc/08/24/44/209082444.db2.gz	OHAVFLXUFMEEAN-MHWRWJLKSA-N	0	2	352.695	5.679	1	30		FKEFLN
CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)C(C)=C3O)cc2)s1	ZINC000101128174	209222259	/nfs/dbraw/zinc/22/22/59/209222259.db2.gz	APLFACQENWVHRX-LJQANCHMSA-N	0	2	358.484	5.024	1	30		FKEFLN
CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)C(C)=C3O)cc2)s1	ZINC000101128179	222263565	/nfs/dbraw/zinc/26/35/65/222263565.db2.gz	APLFACQENWVHRX-IBGZPJMESA-N	0	2	358.484	5.024	1	30		FKEFLN
CCCCCCCCCC[C@]1(C)SC(O)=C(Cc2ccccc2)C1=O	ZINC000101391848	209225613	/nfs/dbraw/zinc/22/56/13/209225613.db2.gz	WYBJQZNECNAVTJ-QFIPXVFZSA-N	0	2	360.563	6.604	1	30		FKEFLN
COC1CC(=O)C(=O)C(=C[C@@]2(C)[C@H]3CCCC(C)(C)[C@@]3(C)CC[C@@H]2C)C1=O	ZINC000105384982	222368148	/nfs/dbraw/zinc/36/81/48/222368148.db2.gz	ZMWPUCGPHZVIMQ-DENKBBGASA-N	0	2	374.521	5.140	1	30		FKEFLN
COC1CC(=O)C(=O)C(=C[C@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCCC3(C)C)C1=O	ZINC000195488099	206332379	/nfs/dbraw/zinc/33/23/79/206332379.db2.gz	ZMWPUCGPHZVIMQ-XBRCYRKVSA-N	0	2	374.521	5.140	1	30		FKEFLN