smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1[O-]	ZINC000004992968	263338020	/nfs/dbraw/zinc/33/80/20/263338020.db2.gz	PJJHAMIRCCUOJE-IZZDOVSWSA-N	-2	3	364.785	2.459	40	10		FECBHL
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Cl)c1[O-]	ZINC000013058458	206299758	/nfs/dbraw/zinc/29/97/58/206299758.db2.gz	KUIWEMNAWDTKLV-WTKPLQERSA-N	-2	3	359.812	2.340	40	10		FECBHL
O=C1[N-]C(=S)S/C1=C/c1cc(I)ccc1[O-]	ZINC000001505082	539342197	/nfs/dbraw/zinc/34/21/97/539342197.db2.gz	NFRBZAVYFPQDSN-XBXARRHUSA-N	-2	3	363.201	2.486	40	10		FECBHL
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408890741	570695127	/nfs/dbraw/zinc/69/51/27/570695127.db2.gz	YMWJZSYNMFJSDU-MDWZMJQESA-N	-2	3	358.737	2.418	40	10		FECBHL
CCc1nc(SC(=Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])n[n-]1	ZINC000007342622	539455945	/nfs/dbraw/zinc/45/59/45/539455945.db2.gz	MBUDXRUMGWUAGL-SDNWHVSQSA-N	-2	3	360.439	2.422	40	10		FECBHL
O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1cc(Cl)ccc1[O-])C2	ZINC000019293013	539655458	/nfs/dbraw/zinc/65/54/58/539655458.db2.gz	GDPBXYBRONFMIH-UHFFFAOYSA-N	-2	3	360.845	2.287	40	10		FECBHL
COc1cc(C=C2C(=O)N(c3nc(C)cc(=O)[n-]3)N=C2C)cc(Cl)c1[O-]	ZINC000008462296	204332001	/nfs/dbraw/zinc/33/20/01/204332001.db2.gz	JZLRSZLIXVCUCV-VZUCSPMQSA-N	-2	3	374.784	2.252	40	10		FECBHL
O=C1[N-]C(=O)c2cc(-c3ccc(/C=C4/SC(=S)[N-]C4=O)o3)ccc21	ZINC000001084645	539338312	/nfs/dbraw/zinc/33/83/12/539338312.db2.gz	GNTYHOAPSXKMBV-WUXMJOGZSA-N	-2	3	356.384	2.319	40	10		FECBHL