smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1CCCC[C@@H]1c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000005030648	204186190	/nfs/dbraw/zinc/18/61/90/204186190.db2.gz	CAVIJGGXNIURPI-VHSXEESVSA-N	-2	0	370.357	3.373	40	10	in-vivo	FGCBRL
Cc1[n-]n(C(=O)c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000104280383	209259638	/nfs/dbraw/zinc/25/96/38/209259638.db2.gz	AUHYMQXXPORJMG-MODMUFLJSA-N	-2	0	364.361	3.204	40	10		FGCBRL
Cc1[n-]n(C(=O)c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000102951944	209243833	/nfs/dbraw/zinc/24/38/33/209243833.db2.gz	AUHYMQXXPORJMG-BZROSYFNSA-N	-2	0	364.361	3.204	40	10		FGCBRL
O=C([O-])[C@H]1CCCC[C@@H]1c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000003954333	493861377	/nfs/dbraw/zinc/86/13/77/493861377.db2.gz	CAVIJGGXNIURPI-UWVGGRQHSA-N	-2	0	370.357	3.373	40	10	in-vivo	FGCBRL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000100148816	209210622	/nfs/dbraw/zinc/21/06/22/209210622.db2.gz	ZZDQYKQJOSBZLE-YBEGLDIGSA-N	-2	0	351.362	3.117	40	10		FGCBRL
O=C([O-])c1ccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc1	ZINC000020226999	211272324	/nfs/dbraw/zinc/27/23/24/211272324.db2.gz	TUENEEVIKGZPNL-ZROIWOOFSA-N	-2	0	368.370	3.165	40	10		FGCBRL
CCCCCC(=O)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000004984483	210180242	/nfs/dbraw/zinc/18/02/42/210180242.db2.gz	XIJDBHLQUYAZJI-UHFFFAOYSA-N	-2	0	370.357	3.047	40	10	in-vitro	FGCBRL
O=C([O-])[C@H]1CCCC[C@H]1c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000005030644	493908789	/nfs/dbraw/zinc/90/87/89/493908789.db2.gz	CAVIJGGXNIURPI-ZJUUUORDSA-N	-2	0	370.357	3.373	40	10	in-vivo	FGCBRL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000016312157	220182765	/nfs/dbraw/zinc/18/27/65/220182765.db2.gz	XAZSXSFMEUZDFK-YVLHZVERSA-N	-2	0	365.389	3.426	40	10		FGCBRL
O=C([O-])c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000059135982	493902913	/nfs/dbraw/zinc/90/29/13/493902913.db2.gz	KUCMJQIAOCUVGR-FMIVXFBMSA-N	-2	0	370.361	3.196	40	10		FGCBRL
Cc1[n-]n(C(=O)c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000073280120	494350397	/nfs/dbraw/zinc/35/03/97/494350397.db2.gz	AUHYMQXXPORJMG-FVGNFYTDSA-N	-2	0	364.361	3.204	40	10		FGCBRL
CCCN(CCC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000016678218	494398682	/nfs/dbraw/zinc/39/86/82/494398682.db2.gz	VSJRWNCXGRVDSZ-JXMROGBWSA-N	-2	0	358.398	3.181	40	10		FGCBRL
O=C([O-])[C@@H]1CCCC[C@H]1c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000005030647	207074093	/nfs/dbraw/zinc/07/40/93/207074093.db2.gz	CAVIJGGXNIURPI-NXEZZACHSA-N	-2	0	370.357	3.373	40	10	in-vivo	FGCBRL
O=C([O-])c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000059135082	493902179	/nfs/dbraw/zinc/90/21/79/493902179.db2.gz	FLETWBTWPVSQOI-NTEUORMPSA-N	-2	0	354.293	3.031	40	10		FGCBRL
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409002206	570711024	/nfs/dbraw/zinc/71/10/24/570711024.db2.gz	ZAPGVKIHTXEPCX-ZSOIEALJSA-N	-2	0	358.444	3.281	40	10		FGCBRL
CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1F	ZINC000252498538	497307684	/nfs/dbraw/zinc/30/76/84/497307684.db2.gz	REGVKDJSOVDMNH-UHFFFAOYSA-N	-2	0	368.217	3.164	40	10		FGCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000027828627	494887543	/nfs/dbraw/zinc/88/75/43/494887543.db2.gz	XODSAZVUJUAZMI-MDWZMJQESA-N	-2	0	367.317	3.116	40	10		FGCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000100983269	222259763	/nfs/dbraw/zinc/25/97/63/222259763.db2.gz	IWDXZMRBISGGND-ISLYRVAYSA-N	-2	0	358.379	3.136	40	10		FGCBRL
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)ccc1F	ZINC000226862692	497086343	/nfs/dbraw/zinc/08/63/43/497086343.db2.gz	GWFFOXMIEFJBQU-UHFFFAOYSA-N	-2	0	362.338	3.394	40	10		FGCBRL
Cc1[n-]n(C(=O)c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000104280387	222353722	/nfs/dbraw/zinc/35/37/22/222353722.db2.gz	AUHYMQXXPORJMG-JHBCHSCWSA-N	-2	0	364.361	3.204	40	10		FGCBRL