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-])c1cc([O-])c(Cl)cc1Cl	ZINC000034415422	343270355	/nfs/dbraw/zinc/27/03/55/343270355.db2.gz	QMNUUCQAHFMEAM-UHFFFAOYSA-N	-2	1	207.012	2.397	10	0		BEAEML
O=C([O-])Cc1c([O-])cc(F)cc1C(F)(F)F	ZINC000575702420	387406746	/nfs/dbraw/zinc/40/67/46/387406746.db2.gz	DJKKJYQUSOCPOU-UHFFFAOYSA-N	-2	1	238.136	2.177	10	0		BEAEML
O=C([O-])c1c(Cl)c([O-])cc(O)c1Cl	ZINC000584646746	358331524	/nfs/dbraw/zinc/33/15/24/358331524.db2.gz	ZFDDPJIOJZZKJI-UHFFFAOYSA-N	-2	1	223.011	2.103	10	0		BEAEML
O=Cc1c([S-])cc([O-])cc1OC(F)F	ZINC000575662325	387162800	/nfs/dbraw/zinc/16/28/00/387162800.db2.gz	WRHOYGULMAVADU-UHFFFAOYSA-N	-2	1	220.196	2.095	10	0		BEAEML
CCCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2)[n-]1	ZINC000019957810	342964749	/nfs/dbraw/zinc/96/47/49/342964749.db2.gz	XRJJHZZEOUUAFZ-UHFFFAOYSA-N	-2	1	246.266	2.278	10	0		BEAEML
O=C([O-])c1cc(C(F)(F)F)c([O-])cc1F	ZINC000575703014	387399464	/nfs/dbraw/zinc/39/94/64/387399464.db2.gz	DGSBOGKSSMOPHX-UHFFFAOYSA-N	-2	1	224.109	2.248	10	0		BEAEML
O=C([O-])CCc1cccc([O-])c1Cl	ZINC000106878793	369208317	/nfs/dbraw/zinc/20/83/17/369208317.db2.gz	VXNJQVOGZKNULZ-UHFFFAOYSA-N	-2	1	200.621	2.063	10	0		BEAEML
C[C@@](Cl)(c1ccccc1)P(=O)([O-])[O-]	ZINC000032177775	345737335	/nfs/dbraw/zinc/73/73/35/345737335.db2.gz	FIDRMXZKSYDDJO-QMMMGPOBSA-N	-2	1	220.592	2.276	10	0		BEAEML
O=C([O-])Cc1c([O-])cc(Cl)cc1Cl	ZINC000140209072	372532269	/nfs/dbraw/zinc/53/22/69/372532269.db2.gz	POOXOZJQHUNUDY-UHFFFAOYSA-N	-2	1	221.039	2.326	10	0		BEAEML
CCCC(CCC)(OC)P(=O)([O-])[O-]	ZINC000149888034	342794722	/nfs/dbraw/zinc/79/47/22/342794722.db2.gz	NPPDTCRHSPAGLS-UHFFFAOYSA-N	-2	1	210.210	2.107	10	0		BEAEML
O=C([O-])c1cc(F)cc([O-])c1C(F)(F)F	ZINC000575702853	387398657	/nfs/dbraw/zinc/39/86/57/387398657.db2.gz	HTABQVHVKPWKOM-UHFFFAOYSA-N	-2	1	224.109	2.248	10	0		BEAEML
O=C([O-])c1c(Cl)ccc([O-])c1Cl	ZINC000036056255	343618873	/nfs/dbraw/zinc/61/88/73/343618873.db2.gz	LHJFBVDNRPBOOW-UHFFFAOYSA-N	-2	1	207.012	2.397	10	0		BEAEML
C[C@](Cl)(c1ccccc1)P(=O)([O-])[O-]	ZINC000032177778	345737090	/nfs/dbraw/zinc/73/70/90/345737090.db2.gz	FIDRMXZKSYDDJO-MRVPVSSYSA-N	-2	1	220.592	2.276	10	0		BEAEML
O=C([O-])CCc1cccc(Br)c1[O-]	ZINC000096879605	383972318	/nfs/dbraw/zinc/97/23/18/383972318.db2.gz	ZPEHBUFQWSATRP-UHFFFAOYSA-N	-2	1	245.072	2.172	10	0		BEAEML
O=C([O-])Cc1cc([O-])c(F)c(C(F)(F)F)c1	ZINC000575703948	387400931	/nfs/dbraw/zinc/40/09/31/387400931.db2.gz	RCLAPHFQSJRSAX-UHFFFAOYSA-N	-2	1	238.136	2.177	10	0		BEAEML
O=C([O-])Cc1c(Cl)ccc([O-])c1Cl	ZINC000216001380	363103428	/nfs/dbraw/zinc/10/34/28/363103428.db2.gz	MOXUPFSOUPMFMB-UHFFFAOYSA-N	-2	1	221.039	2.326	10	0		BEAEML
O=C([O-])/C=C/c1cccc(Br)c1[O-]	ZINC000140487361	372695030	/nfs/dbraw/zinc/69/50/30/372695030.db2.gz	YHIMWIAXIUYMAS-SNAWJCMRSA-N	-2	1	243.056	2.253	10	0		BEAEML
O=C([O-])Cc1cc(F)c([O-])c(C(F)F)c1	ZINC000575667098	387319594	/nfs/dbraw/zinc/31/95/94/387319594.db2.gz	HHLDCMBHQHBIFV-UHFFFAOYSA-N	-2	1	220.146	2.096	10	0		BEAEML
O=C([O-])CCC(=O)c1ccc(Cl)c(F)c1[O-]	ZINC000098178509	384599340	/nfs/dbraw/zinc/59/93/40/384599340.db2.gz	CWRJMVNJYJBTHV-UHFFFAOYSA-N	-2	1	246.621	2.232	10	0		BEAEML
O=C([O-])Cc1cc(C(F)F)c([O-])cc1F	ZINC000575666933	387321026	/nfs/dbraw/zinc/32/10/26/387321026.db2.gz	GKNPDCLUHRQHLV-UHFFFAOYSA-N	-2	1	220.146	2.096	10	0		BEAEML
O=C([O-])COc1cc(Cl)c([O-])cc1Cl	ZINC000006091082	384145841	/nfs/dbraw/zinc/14/58/41/384145841.db2.gz	UENNJUJWZAJJIG-UHFFFAOYSA-N	-2	1	237.038	2.162	10	0		BEAEML
O=C([O-])Cc1cc(F)cc([O-])c1C(F)F	ZINC000575667665	384443434	/nfs/dbraw/zinc/44/34/34/384443434.db2.gz	LCXAPLHYGRCUMG-UHFFFAOYSA-N	-2	1	220.146	2.096	10	0		BEAEML
O=C([O-])c1ccc(-c2cc(F)ccc2[O-])nc1	ZINC000065347505	388259253	/nfs/dbraw/zinc/25/92/53/388259253.db2.gz	MZBLSKOTRMDMLK-UHFFFAOYSA-N	-2	1	233.198	2.292	10	0		BEAEML
Cc1oc2c(ccc([O-])c2F)c1C(=O)[O-]	ZINC000033359212	343252300	/nfs/dbraw/zinc/25/23/00/343252300.db2.gz	RCJJEDUWWFPJFP-UHFFFAOYSA-N	-2	1	210.160	2.284	10	0		BEAEML
O=C([O-])Cc1cc([O-])c(C(F)F)c(F)c1	ZINC000575667613	387322470	/nfs/dbraw/zinc/32/24/70/387322470.db2.gz	KYJSGFKUCDORQC-UHFFFAOYSA-N	-2	1	220.146	2.096	10	0		BEAEML