smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1nc2ccccc2s1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000217631317	211750512	/nfs/dbraw/zinc/75/05/12/211750512.db2.gz	GIOOVZZPFQEKIJ-QGZVFWFLSA-N	0	0	394.443	5.203	50	70		GKIARN
COc1ccc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc1OC	ZINC000217728150	208830573	/nfs/dbraw/zinc/83/05/73/208830573.db2.gz	DGHLVTMIRJDYKZ-RMKNXTFCSA-N	0	0	386.447	6.209	50	70	biogenic	GKIARN
O=C(Nc1ccccc1Cl)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000217633338	205940563	/nfs/dbraw/zinc/94/05/63/205940563.db2.gz	OUXSIMKAJJJDCJ-HNNXBMFYSA-N	0	0	386.826	5.638	50	70		GKIARN
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	ZINC000160358950	212161189	/nfs/dbraw/zinc/16/11/89/212161189.db2.gz	DEMNQPGBGIELQO-UHFFFAOYSA-N	0	0	399.498	5.051	50	70		GKIARN
CC(C)n1cc(CCCC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21	ZINC000218009129	209184731	/nfs/dbraw/zinc/18/47/31/209184731.db2.gz	MKKIBELFFBYQPC-QHCPKHFHSA-N	0	0	389.543	5.694	50	70	biogenic	GKIARN
CC(C)(C)c1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc(C(C)(C)C)c1O	ZINC000218327197	570331083	/nfs/dbraw/zinc/33/10/83/570331083.db2.gz	LSFAZZYOGVXDHZ-AWEZNQCLSA-N	0	0	396.483	5.157	50	70		GKIARN
O=C1C[C@@H](c2ccc(F)c(F)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218470567	570335210	/nfs/dbraw/zinc/33/52/10/570335210.db2.gz	VBPPAMGCOGCEIL-HNNXBMFYSA-N	0	0	398.405	5.074	50	70		GKIARN
O=C(NCCc1c[nH]c2ccc(F)cc12)c1sc(Cl)nc1-c1ccccc1	ZINC000218535843	570336332	/nfs/dbraw/zinc/33/63/32/570336332.db2.gz	JIYYSQUMJOMVNI-UHFFFAOYSA-N	0	0	399.878	5.056	50	70		GKIARN
COc1ccccc1-c1nc(C(=O)N2C[C@H](C)CSc3ccccc32)cs1	ZINC000159551967	212160674	/nfs/dbraw/zinc/16/06/74/212160674.db2.gz	IIJWCDIMIDKHLP-AWEZNQCLSA-N	0	0	396.537	5.207	50	70		GKIARN
O=C(c1nc2ccccc2s1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000217631410	205939859	/nfs/dbraw/zinc/93/98/59/205939859.db2.gz	GIOOVZZPFQEKIJ-KRWDZBQOSA-N	0	0	394.443	5.203	50	70		GKIARN
CC(C)(C)c1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc(C(C)(C)C)c1O	ZINC000218327285	570331226	/nfs/dbraw/zinc/33/12/26/570331226.db2.gz	LSFAZZYOGVXDHZ-CQSZACIVSA-N	0	0	396.483	5.157	50	70		GKIARN
COc1ccccc1-c1nc(C(=O)N2C[C@@H](C)CSc3ccccc32)cs1	ZINC000159551827	209246587	/nfs/dbraw/zinc/24/65/87/209246587.db2.gz	IIJWCDIMIDKHLP-CQSZACIVSA-N	0	0	396.537	5.207	50	70		GKIARN
O=C1C[C@H](c2ccc(F)c(F)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218470628	205947967	/nfs/dbraw/zinc/94/79/67/205947967.db2.gz	VBPPAMGCOGCEIL-OAHLLOKOSA-N	0	0	398.405	5.074	50	70		GKIARN
CCn1nc(C(C)C)cc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2	ZINC000217165277	570313327	/nfs/dbraw/zinc/31/33/27/570313327.db2.gz	BTHABRZMUGZAIA-REPLKXPHSA-N	0	0	383.511	5.025	50	70		GKIARN
COc1ccc(CCC(=O)N[C@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1	ZINC000218163620	222585576	/nfs/dbraw/zinc/58/55/76/222585576.db2.gz	VXZWMOSDDNVUKF-QHCPKHFHSA-N	0	0	393.531	5.072	50	70		GKIARN