smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc2cc(CCc3cc4c(o3)C(=O)c3c(O)c(OC)cc(OC)c3C4=O)c([O-])c(O)c2c(=O)o1	ZINC000002020125	561680503	/nfs/dbraw/zinc/68/05/03/561680503.db2.gz	LQNGOIZVRFNQLO-UHFFFAOYSA-N	-1	1	536.445	2.867	1	10	in-vitro	KFCFMM
O=C(c1ccc(OC(F)F)cc1)N1CCC(Oc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2F)CC1	ZINC000095573399	562769701	/nfs/dbraw/zinc/76/97/01/562769701.db2.gz	AFYBKIQOAFZCQK-UHFFFAOYSA-N	-1	1	503.433	2.860	1	10		KFCFMM
O=C(c1ccc(OC(F)F)cc1)N1CCC(Oc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2F)CC1	ZINC000095573399	562769700	/nfs/dbraw/zinc/76/97/00/562769700.db2.gz	AFYBKIQOAFZCQK-UHFFFAOYSA-N	-1	1	503.433	2.860	1	10		KFCFMM
O=C(c1cccc2c1OC(F)(F)O2)N1CCC(Oc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2F)CC1	ZINC000095574611	562770007	/nfs/dbraw/zinc/77/00/07/562770007.db2.gz	UXKKEEGNEDOSOQ-UHFFFAOYSA-N	-1	1	517.416	2.580	1	10		KFCFMM
O=C(c1cccc2c1OC(F)(F)O2)N1CCC(Oc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2F)CC1	ZINC000095574611	562770006	/nfs/dbraw/zinc/77/00/06/562770006.db2.gz	UXKKEEGNEDOSOQ-UHFFFAOYSA-N	-1	1	517.416	2.580	1	10		KFCFMM
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4c(O)c([O-])ccc34)nn2)CC1	ZINC000103297594	562824593	/nfs/dbraw/zinc/82/45/93/562824593.db2.gz	VYQAHJQQZWXTTK-UHFFFAOYSA-N	-1	1	533.632	2.915	1	10		KFCFMM
CN1CCN(c2ccc3c(c2)CN(C(=O)O[C@@H]2C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C2)C3)CC1	ZINC000150602360	562847304	/nfs/dbraw/zinc/84/73/04/562847304.db2.gz	BWTUKNYCHPQZHQ-NHHJTYAMSA-N	-1	1	812.003	2.757	1	10		KFCFMM