smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)oc1c2c(=O)oc2cc([O-])c(O)cc12	ZINC000014778661	290866624	/nfs/dbraw/zinc/86/66/24/290866624.db2.gz	JVJBEMSYBFXOHE-UHFFFAOYSA-N	-1	0	298.250	3.112	1	10	biogenic,in-vitro	CGCFRM
Cc1ccc(N=Nc2c(=O)[n-]n3c2nc(C)cc3C)cc1	ZINC000018042946	292042357	/nfs/dbraw/zinc/04/23/57/292042357.db2.gz	FVVDYXLLNHGDOY-ZCXUNETKSA-N	-1	0	281.319	3.363	1	10		CGCFRM
O=C([O-])[C@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@@H]21	ZINC000000197878	304209367	/nfs/dbraw/zinc/20/93/67/304209367.db2.gz	GLXGRTQDOFCAAZ-WWGRRREGSA-N	-1	0	265.312	3.378	1	10		CGCFRM
O=C([O-])[C@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@@H]21	ZINC000001059699	304209193	/nfs/dbraw/zinc/20/91/93/304209193.db2.gz	INTFXNLMNVSVFC-DXBFQKDVSA-N	-1	0	283.249	3.244	1	10		CGCFRM
COc1ccc2c(c1)[C@H](CC(=O)[O-])CN2Cc1ccccc1	ZINC000045389577	175374629	/nfs/dbraw/zinc/37/46/29/175374629.db2.gz	KCMCHPLAMOCHAG-CQSZACIVSA-N	-1	0	297.354	3.274	1	10		CGCFRM
O=C([O-])[C@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@@H]21	ZINC000102970679	304209514	/nfs/dbraw/zinc/20/95/14/304209514.db2.gz	GLXGRTQDOFCAAZ-XEZPLFJOSA-N	-1	0	265.312	3.378	1	10		CGCFRM
O=CC1=CC(=NNc2cccc(C(=O)[O-])c2)C=CC1=O	ZINC000100442925	230391908	/nfs/dbraw/zinc/39/19/08/230391908.db2.gz	VEUVVTPWFGTPGG-NXVVXOECSA-N	-1	0	270.244	3.318	1	10		CGCFRM
O=C([O-])[C@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]21	ZINC000013118290	304209114	/nfs/dbraw/zinc/20/91/14/304209114.db2.gz	INTFXNLMNVSVFC-VMAXQDLPSA-N	-1	0	283.249	3.244	1	10		CGCFRM
CC(C)[C@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000013154524	170537653	/nfs/dbraw/zinc/53/76/53/170537653.db2.gz	IPGTXKITVRJXEC-LALPHHSUSA-N	-1	0	257.333	3.495	1	10		CGCFRM
O=Cc1ccc([O-])c2oc(-c3ccc(O)c(O)c3)cc21	ZINC000014768676	560226145	/nfs/dbraw/zinc/22/61/45/560226145.db2.gz	XQXIDELHPWXTDD-UHFFFAOYSA-N	-1	0	270.240	3.029	1	10	biogenic,in-vitro	CGCFRM
O=c1cc(-c2ccccc2)oc2c(O)c([O-])cc(F)c12	ZINC000095563741	185009971	/nfs/dbraw/zinc/00/99/71/185009971.db2.gz	YFKVKDODFDVTFG-UHFFFAOYSA-N	-1	0	272.231	3.010	1	10		CGCFRM
O=c1oc2cc([O-])c(O)cc2c2oc3ccccc3c21	ZINC000033832317	560088408	/nfs/dbraw/zinc/08/84/08/560088408.db2.gz	AOAYABGBVULEGA-UHFFFAOYSA-N	-1	0	268.224	3.104	1	10	biogenic,in-vitro	CGCFRM
Cc1cc2c(n1-c1ccc(C(=O)[O-])cc1)CCCC2	ZINC000006751316	170240296	/nfs/dbraw/zinc/24/02/96/170240296.db2.gz	HDHJNAVPYMMPIP-UHFFFAOYSA-N	-1	0	255.317	3.363	1	10		CGCFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N)cc1	ZINC000102507184	281701721	/nfs/dbraw/zinc/70/17/21/281701721.db2.gz	KCOBQGBIGCVBCR-RAJOGRCSSA-N	-1	0	293.330	3.144	1	10		CGCFRM
COc1ccc2c(c1)[C@@H](CC(=O)[O-])CN2Cc1ccccc1	ZINC000045389581	175375033	/nfs/dbraw/zinc/37/50/33/175375033.db2.gz	KCMCHPLAMOCHAG-AWEZNQCLSA-N	-1	0	297.354	3.274	1	10		CGCFRM
Cc1ccc(N[C@H](C)C(=O)[O-])c(C(=O)c2ccccc2)c1	ZINC000053084368	525317319	/nfs/dbraw/zinc/31/73/19/525317319.db2.gz	MDNPVCFICPHKFU-GFCCVEGCSA-N	-1	0	283.327	3.111	1	10		CGCFRM
Cc1cc(C(=O)CCC(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000095614963	185016069	/nfs/dbraw/zinc/01/60/69/185016069.db2.gz	GNRWSIUEZUQINP-UHFFFAOYSA-N	-1	0	289.306	3.281	1	10		CGCFRM
O=c1c(F)c(-c2ccccc2)oc2c(O)c([O-])ccc12	ZINC000095558213	185009349	/nfs/dbraw/zinc/00/93/49/185009349.db2.gz	JRBWGVXRILHEEA-UHFFFAOYSA-N	-1	0	272.231	3.010	1	10		CGCFRM
Cc1ccc(-c2coc3c(O)c([O-])ccc3c2=O)cc1	ZINC000006522795	170209265	/nfs/dbraw/zinc/20/92/65/170209265.db2.gz	OANWEBOHKLZIJJ-UHFFFAOYSA-N	-1	0	268.268	3.180	1	10		CGCFRM