smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1n[nH]c(N)c1/N=N/c1ccccc1C(=O)[O-]	ZINC000006059612	181773334	/nfs/dbraw/zinc/77/33/34/181773334.db2.gz	OSFJVKMQBRMWJJ-BUHFOSPRSA-N	-1	0	246.230	1.688	1	10		BDCFRM
Oc1ccccc1[C@@H]1NC(=S)N2CCCCN12	ZINC000096282409	187288950	/nfs/dbraw/zinc/28/89/50/187288950.db2.gz	LIRSYJSBUZPLQU-LLVKDONJSA-N	-1	0	249.339	1.592	1	10		BDCFRM
NC1=CN2c3ccccc3N(CC(=O)[O-])[C@H]2C=C1	ZINC000102952292	181337572	/nfs/dbraw/zinc/33/75/72/181337572.db2.gz	HSOKAJOUEUJWEU-LBPRGKRZSA-N	-1	0	243.266	1.094	1	10		BDCFRM
O=C([O-])c1cc2ccc(O)c(O)c2c(=O)c(O)c1	ZINC000003198923	560188754	/nfs/dbraw/zinc/18/87/54/560188754.db2.gz	XCSLJQFPTAZKDV-UHFFFAOYSA-N	-1	0	248.190	1.015	3	10	in-vitro	BDCFRM
O=C([O-])[C@H]1Nc2c(O)cccc2[C@@H]2C=CC[C@@H]21	ZINC000000084470	188098469	/nfs/dbraw/zinc/09/84/69/188098469.db2.gz	VQPJWSZWDZNVOJ-DXBFQKDVSA-N	-1	0	231.251	1.931	1	10		BDCFRM
Nc1[nH][n-]c(=O)c1N=Nc1ccc2c(c1)OCO2	ZINC000013116654	181663913	/nfs/dbraw/zinc/66/39/13/181663913.db2.gz	HIABFNYQXWBULB-SEYXRHQNSA-N	-1	0	247.214	1.842	1	10		BDCFRM
Cc1cc(=O)[nH]c2c1C(=O)c1ccccc1C2=O	ZINC000014586979	560101975	/nfs/dbraw/zinc/10/19/75/560101975.db2.gz	GYAHTYNHCVTZOK-UHFFFAOYSA-N	-1	0	239.230	1.459	1	10	endogenous,in-man	BDCFRM
NC1=CN2c3ccccc3N(CC(=O)[O-])[C@@H]2C=C1	ZINC000102952294	181338187	/nfs/dbraw/zinc/33/81/87/181338187.db2.gz	HSOKAJOUEUJWEU-GFCCVEGCSA-N	-1	0	243.266	1.094	1	10		BDCFRM
CN(C)/N=N/c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000005341475	172353049	/nfs/dbraw/zinc/35/30/49/172353049.db2.gz	CWNMHHFBFOLRDS-ZHACJKMWSA-N	-1	0	238.203	1.853	1	10		BDCFRM
Cn1nccc1-c1cc(O)c([O-])c([N+](=O)[O-])c1	ZINC000049112009	180828472	/nfs/dbraw/zinc/82/84/72/180828472.db2.gz	DDLXVNSPXFKMTK-UHFFFAOYSA-N	-1	0	235.199	1.407	1	10		BDCFRM
O=C1CCc2c1oc(=O)c1cc(O)c(O)c([O-])c21	ZINC000013379152	560215754	/nfs/dbraw/zinc/21/57/54/560215754.db2.gz	FXVRSKPFWVYCPN-UHFFFAOYSA-N	-1	0	248.190	1.039	1	10	biogenic,in-vitro	BDCFRM
CCn1c(C(=O)[O-])cc2cc(O)c(O)cc21	ZINC000084742589	172133199	/nfs/dbraw/zinc/13/31/99/172133199.db2.gz	UEDKWJDOUGYJQX-UHFFFAOYSA-N	-1	0	221.212	1.771	1	10		BDCFRM