smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(C(=O)c2ccccc2[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000100643946	508239980	/nfs/dbraw/zinc/23/99/80/508239980.db2.gz	YRXXQRFUEXMUAQ-MJWGMMHASA-N	-2	3	367.321	2.811	40	10		FFCBHL
Cc1[n-]n(C(=O)c2ccccc2[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000253486664	509884264	/nfs/dbraw/zinc/88/42/64/509884264.db2.gz	YRXXQRFUEXMUAQ-HNNXBMFYSA-N	-2	3	367.321	2.811	40	10		FFCBHL
Cc1[n-]n(C(=O)c2ccccc2[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000068602437	507282116	/nfs/dbraw/zinc/28/21/16/507282116.db2.gz	YRXXQRFUEXMUAQ-IJYGLTAASA-N	-2	3	367.321	2.811	40	10		FFCBHL
Cc1[n-]n(C(=O)c2ccccc2[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000100643942	508239959	/nfs/dbraw/zinc/23/99/59/508239959.db2.gz	YRXXQRFUEXMUAQ-RAJOGRCSSA-N	-2	3	367.321	2.811	40	10		FFCBHL
CCCCC[C@@H](O)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000005513436	506446197	/nfs/dbraw/zinc/44/61/97/506446197.db2.gz	WGPOPPKSQRZUTP-GFCCVEGCSA-N	-2	3	372.373	2.898	40	10	biogenic,in-vitro	FFCBHL
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1[O-]	ZINC000408883687	513094848	/nfs/dbraw/zinc/09/48/48/513094848.db2.gz	WAFHWFNCGWRWLJ-FLIBITNWSA-N	-2	3	360.728	2.851	40	10		FFCBHL
O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1cc(Cl)ccc1[O-])C2	ZINC000019340047	507167588	/nfs/dbraw/zinc/16/75/88/507167588.db2.gz	HPIKNFKFPGCKJJ-UHFFFAOYSA-N	-2	3	368.824	2.749	40	10		FFCBHL
CCCCC[C@H](O)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000005513285	506446185	/nfs/dbraw/zinc/44/61/85/506446185.db2.gz	WGPOPPKSQRZUTP-LBPRGKRZSA-N	-2	3	372.373	2.898	40	10	biogenic,in-vitro	FFCBHL
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Cl)c1[O-]	ZINC000036613153	506408644	/nfs/dbraw/zinc/40/86/44/506408644.db2.gz	RPUXXNXBGCCGTN-BJMVGYQFSA-N	-2	3	373.839	2.730	40	10		FFCBHL
Cc1[n-]n(C(=O)c2ccccc2[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000253486665	509884905	/nfs/dbraw/zinc/88/49/05/509884905.db2.gz	YRXXQRFUEXMUAQ-OAHLLOKOSA-N	-2	3	367.321	2.811	40	10		FFCBHL
CCCc1nc(SC(=Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])n[n-]1	ZINC000007342383	506554700	/nfs/dbraw/zinc/55/47/00/506554700.db2.gz	HBQNEWRRWYOHLW-NTCAYCPXSA-N	-2	3	374.466	2.812	40	10		FFCBHL
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)[N-]c1ccc([O-])c2ccccc12	ZINC000011635273	209558870	/nfs/dbraw/zinc/55/88/70/209558870.db2.gz	WCGSBLGVOWGYLP-UHFFFAOYSA-N	-2	3	369.402	2.824	40	10		FFCBHL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000033321320	506355789	/nfs/dbraw/zinc/35/57/89/506355789.db2.gz	NOUWXUCRPTWRBZ-JYRVWZFOSA-N	-2	3	358.781	2.906	40	10		FFCBHL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000408886765	513094830	/nfs/dbraw/zinc/09/48/30/513094830.db2.gz	MABDTIAVKUBCCT-NTEUORMPSA-N	-2	3	372.764	2.721	40	10		FFCBHL
O=c1[n-]c(-c2ccncc2)nc2c1CCN(Cc1cc(Cl)ccc1[O-])C2	ZINC000019293014	220245244	/nfs/dbraw/zinc/24/52/44/220245244.db2.gz	BUUWNXVUNVFINS-UHFFFAOYSA-N	-2	3	368.824	2.749	40	10		FFCBHL
Cc1[n-]n(C(=O)c2ccccc2[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000100643943	222249279	/nfs/dbraw/zinc/24/92/79/222249279.db2.gz	YRXXQRFUEXMUAQ-AMGRQBIBSA-N	-2	3	367.321	2.811	40	10		FFCBHL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408965689	513095845	/nfs/dbraw/zinc/09/58/45/513095845.db2.gz	LNYQZDURFAATBT-MDWZMJQESA-N	-2	3	360.728	2.851	40	10		FFCBHL