smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2)oc2c(O)c(O)cc(O)c12	ZINC000005934539	170158040	/nfs/dbraw/zinc/15/80/40/170158040.db2.gz	ZFKKRRMUPBBYRS-UHFFFAOYSA-N	0	2	270.240	2.577	40	10	biogenic,in-vitro	CFCBLN
Cc1ccc(N=Nc2c(O)n(-c3ccccc3)[nH]c2=O)cc1	ZINC000100353202	375619473	/nfs/dbraw/zinc/61/94/73/375619473.db2.gz	GUYUPWKVBCLPRK-MGPWXQLLSA-N	0	2	294.314	2.525	40	10		CFCBLN
Cc1ccc(N=Nc2c(O)n(-c3ccccc3)[nH]c2=O)cc1	ZINC000100353204	375619405	/nfs/dbraw/zinc/61/94/05/375619405.db2.gz	GUYUPWKVBCLPRK-IAFNSTAXSA-N	0	2	294.314	2.525	40	10		CFCBLN
Cc1ccc(N=Nc2c(O)n(-c3ccccc3)[nH]c2=O)cc1	ZINC000100353211	375619540	/nfs/dbraw/zinc/61/95/40/375619540.db2.gz	GUYUPWKVBCLPRK-YWMAMYRUSA-N	0	2	294.314	2.525	40	10		CFCBLN
Cc1cc(C(=O)[O-])c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000036335092	372573282	/nfs/dbraw/zinc/57/32/82/372573282.db2.gz	LXVXDAXCNATQGU-UHFFFAOYSA-N	0	2	258.321	2.858	40	10		CFCBLN
CC(C)=C1C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000000134819	393446069	/nfs/dbraw/zinc/44/60/69/393446069.db2.gz	JICVRABQUUBQJS-UHFFFAOYSA-N	0	2	285.130	2.708	40	10		CFCBLN
Cc1ccc(N=Nc2c(O)n(-c3ccccc3)[nH]c2=O)cc1	ZINC000100353208	375619727	/nfs/dbraw/zinc/61/97/27/375619727.db2.gz	GUYUPWKVBCLPRK-DNZUHHBVSA-N	0	2	294.314	2.525	40	10		CFCBLN
COC(=O)c1sc(OC(C)C)c(Br)c1O	ZINC000096511003	393835888	/nfs/dbraw/zinc/83/58/88/393835888.db2.gz	YABUZCLEUNFZOZ-UHFFFAOYSA-N	0	2	295.154	2.790	40	10		CFCBLN
Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1	ZINC000013660158	372039188	/nfs/dbraw/zinc/03/91/88/372039188.db2.gz	SXPZFHCIUAADLD-UHFFFAOYSA-N	0	2	262.261	2.918	40	10	biogenic,in-vitro	CFCBLN
CCCCCCC(=O)C(=O)c1ccc(O)cc1O	ZINC000001563303	371681227	/nfs/dbraw/zinc/68/12/27/371681227.db2.gz	RYFGUWCCZZKORS-UHFFFAOYSA-N	0	2	250.294	2.820	40	10		CFCBLN
Nc1ccc(CSc2nc(C(F)(F)F)n[nH]2)cc1	ZINC000078406769	177339128	/nfs/dbraw/zinc/33/91/28/177339128.db2.gz	RBLHKLDXMPUUNT-UHFFFAOYSA-N	0	2	274.271	2.698	40	10		CFCBLN
CCOc1ccc([N@H+](CC)CCCC(=O)[O-])cc1	ZINC000224998886	382812521	/nfs/dbraw/zinc/81/25/21/382812521.db2.gz	TYIUOSGVEPIFFB-UHFFFAOYSA-N	0	2	251.326	2.776	40	10		CFCBLN
CCOc1ccc([N@@H+](CC)CCCC(=O)[O-])cc1	ZINC000224998886	382812523	/nfs/dbraw/zinc/81/25/23/382812523.db2.gz	TYIUOSGVEPIFFB-UHFFFAOYSA-N	0	2	251.326	2.776	40	10		CFCBLN
COc1ccc(-c2coc3cc(O)c(O)cc3c2=O)cc1	ZINC000006484559	170204995	/nfs/dbraw/zinc/20/49/95/170204995.db2.gz	GCWOYVFHJDNKIN-UHFFFAOYSA-N	0	2	284.267	2.880	40	10	biogenic,in-vitro	CFCBLN