smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH][n-]cc1C=Nc1ccc(Cl)cc1	ZINC000101822898	183253065	/nfs/dbraw/zinc/25/30/65/183253065.db2.gz	TZHJRNKWSPGTFP-LFYBBSHMSA-N	-1	1	221.647	2.519	1	30		BFEFMM
C=CC(C)(C)c1cc2ccc([O-])cc2oc1=O	ZINC000013360063	187242618	/nfs/dbraw/zinc/24/26/18/187242618.db2.gz	MZBAWTYBJIIUQC-UHFFFAOYSA-N	-1	1	230.263	2.962	1	30	biogenic,in-vitro	BFEFMM
N#Cc1ccc(C=C2SC(=O)[N-]C2=S)cc1	ZINC000095557273	188320137	/nfs/dbraw/zinc/32/01/37/188320137.db2.gz	UBJFFYYYSSVYDM-UITAMQMPSA-N	-1	1	246.316	2.683	1	30		BFEFMM
COc1ccc(-c2ccc(O)c(/C=N/[O-])c2)cc1	ZINC000040420468	175034606	/nfs/dbraw/zinc/03/46/06/175034606.db2.gz	VKFBQDWUIAMZAJ-OQLLNIDSSA-N	-1	1	243.262	2.876	1	30		BFEFMM
O=c1[nH][n-]cc1C=Nc1ccccc1Cl	ZINC000101886381	183253286	/nfs/dbraw/zinc/25/32/86/183253286.db2.gz	KDRIJLFIMAMGJC-LFYBBSHMSA-N	-1	1	221.647	2.519	1	30		BFEFMM
COc1ccc(-c2ccc(/C=N/[O-])c(O)c2)cc1	ZINC000029136202	175032453	/nfs/dbraw/zinc/03/24/53/175032453.db2.gz	PIMHSZXJYJIXNF-OQLLNIDSSA-N	-1	1	243.262	2.876	1	30		BFEFMM
C(=N[N-]c1nc2ccccc2o1)c1ccccn1	ZINC000040575759	166229395	/nfs/dbraw/zinc/22/93/95/166229395.db2.gz	CBTWTJWZPKFAKO-OQLLNIDSSA-N	-1	1	238.250	2.669	1	30		BFEFMM
COc1cc([O-])c(C(=O)C=C(C)C)cc1OC	ZINC000000400334	188204340	/nfs/dbraw/zinc/20/43/40/188204340.db2.gz	OSURYTKHOFOPLA-UHFFFAOYSA-N	-1	1	236.267	2.558	1	30		BFEFMM
N#Cc1c(Cl)[n-]c(=S)nc1-c1ccccc1	ZINC000096910378	181073802	/nfs/dbraw/zinc/07/38/02/181073802.db2.gz	YCPRAJZXZIBWFZ-UHFFFAOYSA-N	-1	1	247.710	2.957	1	30		BFEFMM
N#Cc1c(Cl)[n-]c(=S)nc1-c1ccco1	ZINC000096910380	181073795	/nfs/dbraw/zinc/07/37/95/181073795.db2.gz	VLNNXJIXRUNAER-UHFFFAOYSA-N	-1	1	237.671	2.550	1	30		BFEFMM
O=C(/C=C/c1ccccc1O)c1ccc([O-])cc1	ZINC000005716859	387515127	/nfs/dbraw/zinc/51/51/27/387515127.db2.gz	PYXFBLHBGUOXFY-JXMROGBWSA-N	-1	1	240.258	2.994	1	30		BFEFMM
Cc1ccccc1C([O-])=C1C(=O)CCCC1=O	ZINC000101261703	179255012	/nfs/dbraw/zinc/25/50/12/179255012.db2.gz	HITZJWHONAXXPD-UHFFFAOYSA-N	-1	1	230.263	2.586	1	30		BFEFMM