smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@]1(c2ccccc2)CC([O-])=C(SCc2ccccc2)C(=O)O1	ZINC000013766399	220093708	/nfs/dbraw/zinc/09/37/08/220093708.db2.gz	LCHYVZUTNRARNR-NRFANRHFSA-N	-1	1	354.471	5.332	1	30		FKEFMM
CCC[C@]1(c2ccccc2)CC([O-])=C(SCc2ccccc2)C(=O)O1	ZINC000013766401	211058501	/nfs/dbraw/zinc/05/85/01/211058501.db2.gz	LCHYVZUTNRARNR-OAQYLSRUSA-N	-1	1	354.471	5.332	1	30		FKEFMM
CC(C)C[C@]1(c2ccccc2)CC([O-])=C(SCc2ccccc2)C(=O)O1	ZINC000013766416	204551868	/nfs/dbraw/zinc/55/18/68/204551868.db2.gz	UQLGEPNZUQQLPP-JOCHJYFZSA-N	-1	1	368.498	5.578	1	30		FKEFMM
CC(C)CC[C@]1(c2ccccc2)CC([O-])=C(Sc2ccccc2)C(=O)O1	ZINC000013766452	220093009	/nfs/dbraw/zinc/09/30/09/220093009.db2.gz	GWPDSFFTDMKDBL-JOCHJYFZSA-N	-1	1	368.498	5.827	1	30		FKEFMM
CC[C@H](C)C(=O)C1=C([O-])C2=C(O[C@@](C)(CCC=C(C)C)C=C2)C(C)(C)C1=O	ZINC000040973982	205086309	/nfs/dbraw/zinc/08/63/09/205086309.db2.gz	ZNBKWHSUBCVVCC-WNSKOXEYSA-N	-1	1	372.505	5.368	1	30		FKEFMM
CC[C@H](C)C(=O)C1=C([O-])C(C)(C)C2=C(C=C[C@](C)(CCC=C(C)C)O2)C1=O	ZINC000040973982	205086306	/nfs/dbraw/zinc/08/63/06/205086306.db2.gz	ZNBKWHSUBCVVCC-WNSKOXEYSA-N	-1	1	372.505	5.368	1	30		FKEFMM
CC[C@@H](C)C(=O)C1=C([O-])C2=C(O[C@](C)(CCC=C(C)C)C=C2)C(C)(C)C1=O	ZINC000040973984	205086125	/nfs/dbraw/zinc/08/61/25/205086125.db2.gz	ZNBKWHSUBCVVCC-IQMFZBJNSA-N	-1	1	372.505	5.368	1	30		FKEFMM
CC[C@@H](C)C(=O)C1=C([O-])C(C)(C)C2=C(C=C[C@@](C)(CCC=C(C)C)O2)C1=O	ZINC000040973984	205086122	/nfs/dbraw/zinc/08/61/22/205086122.db2.gz	ZNBKWHSUBCVVCC-IQMFZBJNSA-N	-1	1	372.505	5.368	1	30		FKEFMM
CCCCCCCCCCCc1ncc(CNc2ccc(C(=O)[O-])cc2)[nH]1	ZINC000042990004	208297999	/nfs/dbraw/zinc/29/79/99/208297999.db2.gz	XCQRFNYVNRHNKN-UHFFFAOYSA-N	-1	1	371.525	5.793	1	30		FKEFMM
CCCCCCCCC(=O)c1ccc([O-])c(-c2nc3ccc(C)cc3[nH]2)c1	ZINC000043226667	205102734	/nfs/dbraw/zinc/10/27/34/205102734.db2.gz	MARGAYDBYQRWDN-UHFFFAOYSA-N	-1	1	364.489	6.177	1	30		FKEFMM
CCCCCCCCOc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1	ZINC000043443041	205102495	/nfs/dbraw/zinc/10/24/95/205102495.db2.gz	PBJXAMKQGAYFMW-UHFFFAOYSA-N	-1	1	366.457	5.905	1	30		FKEFMM
Cc1ccc(C)c(SC2=C([O-])CC3(CCC(C(C)(C)C)CC3)OC2=O)c1	ZINC000049933188	205176366	/nfs/dbraw/zinc/17/63/66/205176366.db2.gz	UUDCDNVADPCQSW-UHFFFAOYSA-N	-1	1	374.546	6.087	1	30		FKEFMM
Cc1ccccc1SC1=C([O-])CC2(CCC(C(C)(C)C)CC2)OC1=O	ZINC000049933189	205176530	/nfs/dbraw/zinc/17/65/30/205176530.db2.gz	QIXRZXQDHAWJPS-UHFFFAOYSA-N	-1	1	360.519	5.779	1	30		FKEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3ccccc3)cc2C2=CCCCC2)n1	ZINC000053313303	205192731	/nfs/dbraw/zinc/19/27/31/205192731.db2.gz	AWFIHKUWCIHUJW-UHFFFAOYSA-N	-1	1	368.440	5.158	1	30		FKEFMM
C=CCc1cc(Br)c([O-])c(-c2ccc(OC)c(CC=C)c2)c1	ZINC000084618485	210235895	/nfs/dbraw/zinc/23/58/95/210235895.db2.gz	YTTQAFLXAUBCGX-UHFFFAOYSA-N	-1	1	359.263	5.287	1	30		FKEFMM
O=C1C(=O)C([C@@H](Sc2ccccc2)c2ccccc2)=C([O-])c2ccccc21	ZINC000095593840	221966407	/nfs/dbraw/zinc/96/64/07/221966407.db2.gz	HHTNHLMQPDNDHE-QHCPKHFHSA-N	-1	1	372.445	5.411	1	30		FKEFMM
O=C1C(=O)C([C@H](Sc2ccccc2)c2ccccc2)=C([O-])c2ccccc21	ZINC000095593841	209083026	/nfs/dbraw/zinc/08/30/26/209083026.db2.gz	HHTNHLMQPDNDHE-HSZRJFAPSA-N	-1	1	372.445	5.411	1	30		FKEFMM
CCCCCCCCCCCCCC(=O)C1=C([O-])C[C@@H](CCC)OC1=O	ZINC000100393269	519985189	/nfs/dbraw/zinc/98/51/89/519985189.db2.gz	IUICVFDBFKPGGR-GOSISDBHSA-N	-1	1	366.542	6.184	1	30		FKEFMM
O=C1c2ccccc2C(=O)C(CCC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)=C1[O-]	ZINC000100486334	209214212	/nfs/dbraw/zinc/21/42/12/209214212.db2.gz	IFXSMZUKQQEJIZ-YESZJQIVSA-N	-1	1	352.474	5.498	1	30		FKEFMM
O=C1c2ccccc2C(=O)C(CCC[C@H]2CC[C@H]3CCCC[C@@H]3C2)=C1[O-]	ZINC000100486339	222245279	/nfs/dbraw/zinc/24/52/79/222245279.db2.gz	IFXSMZUKQQEJIZ-GVDBMIGSSA-N	-1	1	352.474	5.498	1	30		FKEFMM
CCCC/C=C\CCCCCCCCCC1=C([O-])C(=O)C=C(OC)C1=O	ZINC000100760923	209217847	/nfs/dbraw/zinc/21/78/47/209217847.db2.gz	RTRAGHZYJRTHLT-SREVYHEPSA-N	-1	1	362.510	5.738	1	30		FKEFMM
O=C1OC(c2ccccc2)(c2ccccc2)CC([O-])=C1Sc1ccccc1	ZINC000101318950	222268578	/nfs/dbraw/zinc/26/85/78/222268578.db2.gz	KYCJRYKVBZAPEV-UHFFFAOYSA-N	-1	1	374.461	5.439	1	30		FKEFMM
COC1=CC(=O)C([O-])=C(C[C@@]2(C)[C@H]3CCCC(C)(C)[C@@]3(C)CC[C@@H]2C)C1=O	ZINC000105384982	222368145	/nfs/dbraw/zinc/36/81/45/222368145.db2.gz	ZMWPUCGPHZVIMQ-DENKBBGASA-N	-1	1	374.521	5.140	1	30		FKEFMM