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([O-])c1ccc([C@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004168317	207005191	/nfs/dbraw/zinc/00/51/91/207005191.db2.gz	KIOLLIIPTYWXJD-QNWVGRARSA-N	-1	0	367.448	5.878	1	10		FKCFRM
O=C([O-])c1ccc([C@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	ZINC000004168320	204124492	/nfs/dbraw/zinc/12/44/92/204124492.db2.gz	KIOLLIIPTYWXJD-QZNHQXDQSA-N	-1	0	367.448	5.878	1	10		FKCFRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2	ZINC000004820645	210566053	/nfs/dbraw/zinc/56/60/53/210566053.db2.gz	RRCBSKUUIZVMFI-VEVIJQCQSA-N	-1	0	359.347	5.230	1	10		FKCFRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2	ZINC000004820646	207051138	/nfs/dbraw/zinc/05/11/38/207051138.db2.gz	RRCBSKUUIZVMFI-LXIYXOSZSA-N	-1	0	359.347	5.230	1	10		FKCFRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2	ZINC000004820647	204166386	/nfs/dbraw/zinc/16/63/86/204166386.db2.gz	RRCBSKUUIZVMFI-ZJNRKIDTSA-N	-1	0	359.347	5.230	1	10		FKCFRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	ZINC000011026162	219914110	/nfs/dbraw/zinc/91/41/10/219914110.db2.gz	WFPRFHVNTFKWKM-CZIZLABSSA-N	-1	0	360.240	5.518	1	10		FKCFRM
CC(C)N1C(=O)C(=NNc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21	ZINC000013637435	220080883	/nfs/dbraw/zinc/08/08/83/220080883.db2.gz	RVMGZNBUWVCKDW-MRCUWXFGSA-N	-1	0	357.797	5.695	1	10		FKCFRM
CC(C)=CCC/C(C)=C\CC/C(C)=C/Cc1cc(C(=O)[O-])cc(O)c1O	ZINC000014658270	571717979	/nfs/dbraw/zinc/71/79/79/571717979.db2.gz	VWHKYMBCXCSQEZ-KKYJLSSQSA-N	-1	0	358.478	5.758	1	10	endogenous,in-man	FKCFRM
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)c(C=O)cc(O)c1[O-]	ZINC000014693338	571720934	/nfs/dbraw/zinc/72/09/34/571720934.db2.gz	ZLQKZPMAXCSTJG-VZRGJMDUSA-N	-1	0	356.506	6.180	1	10	endogenous,in-man	FKCFRM
C[C@@H](CCc1sccc1N=Nc1c(O)ccc2ccccc21)CC(=O)[O-]	ZINC000015962062	220173122	/nfs/dbraw/zinc/17/31/22/220173122.db2.gz	ASVAWSJZAJVHOP-KBTGROTASA-N	-1	0	368.458	6.066	1	10		FKCFRM
C[C@H](CCc1sccc1N=Nc1c(O)ccc2ccccc21)CC(=O)[O-]	ZINC000015962064	204628472	/nfs/dbraw/zinc/62/84/72/204628472.db2.gz	ASVAWSJZAJVHOP-MPKYYTFTSA-N	-1	0	368.458	6.066	1	10		FKCFRM
CC/C(=C(F)\C=C\C(C)=C\C(=O)[O-])c1ccc2c(c1)CCCN2C(C)C	ZINC000026964398	535220559	/nfs/dbraw/zinc/22/05/59/535220559.db2.gz	JKDCFKHUINGQAP-JJMJITPISA-N	-1	0	357.469	5.525	1	10		FKCFRM
CCC/C(=C(F)\C=C\C(C)=C\C(=O)[O-])c1ccc2c(c1)CCCN2C(C)C	ZINC000026967048	535224233	/nfs/dbraw/zinc/22/42/33/535224233.db2.gz	XBYXPZOEILHORN-DLBKUULESA-N	-1	0	371.496	5.915	1	10		FKCFRM
O=C([O-])c1cc(-n2c(-c3ccc(Cl)cc3)cc3c2CCCC3)ccc1O	ZINC000039194368	208208315	/nfs/dbraw/zinc/20/83/15/208208315.db2.gz	QHNSPKRMNKJESS-UHFFFAOYSA-N	-1	0	367.832	5.080	1	10		FKCFRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(F)(F)F)cc1)N2	ZINC000049089971	205169098	/nfs/dbraw/zinc/16/90/98/205169098.db2.gz	TVDDEOHTELKSSG-RVKKMQEKSA-N	-1	0	359.347	5.230	1	10		FKCFRM
CC(C)N1C(=O)C(=NNc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21	ZINC000101760702	222284683	/nfs/dbraw/zinc/28/46/83/222284683.db2.gz	RVMGZNBUWVCKDW-QZQOTICOSA-N	-1	0	357.797	5.695	1	10		FKCFRM
Cc1oc(C(=O)[O-])cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1	ZINC000140370838	209378948	/nfs/dbraw/zinc/37/89/48/209378948.db2.gz	MYWGMSWBVBETON-UHFFFAOYSA-N	-1	0	374.339	5.134	1	10		FKCFRM
O=C([O-])c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1Cl	ZINC000169334157	206251476	/nfs/dbraw/zinc/25/14/76/206251476.db2.gz	AGWGHNGJJCOWQV-UHFFFAOYSA-N	-1	0	351.833	5.375	1	10		FKCFRM
CCCC(=O)Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)[O-]	ZINC000012725943	220022873	/nfs/dbraw/zinc/02/28/73/220022873.db2.gz	HRXXVFOEIFIJEZ-UHFFFAOYSA-N	-1	0	365.454	5.519	3	10		FKCFRM