smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@](C)(CC)P(=O)([O-])[O-]	116192905	343768323	/nfs/dbraw/zinc/76/83/23/343768323.db2.gz	KYKQOFKLMXZCGS-ZETCQYMHSA-N	-2	3	180.184	2.133	40	0		AEABHL
C=Cc1ccc(CP(=O)([O-])[O-])cc1	72193588	166223437	/nfs/dbraw/zinc/22/34/37/166223437.db2.gz	IJAOUFAMBRPHSJ-UHFFFAOYSA-N	-2	3	198.158	2.007	40	0		AEABHL
O=C([O-])/C=C/c1cc(Cl)ccc1[O-]	2504927	169334680	/nfs/dbraw/zinc/33/46/80/169334680.db2.gz	LRXNDAUSLCBSTK-DAFODLJHSA-N	-2	3	198.605	2.143	40	0	in-vitro	AEABHL
O=C([O-])c1cc2cccc([O-])c2s1	39401083	169356184	/nfs/dbraw/zinc/35/61/84/169356184.db2.gz	HNMNLWZGTWHBCM-UHFFFAOYSA-N	-2	3	194.211	2.305	40	0		AEABHL
COc1ccccc1[N-]C(=S)[S-]	6485125	171020597	/nfs/dbraw/zinc/02/05/97/171020597.db2.gz	PXJTZLRCBFFFLR-UHFFFAOYSA-N	-2	3	199.300	2.322	40	0		AEABHL
Cc1cc2c([O-])cc(C(=O)[O-])cc2o1	72228313	343567081	/nfs/dbraw/zinc/56/70/81/343567081.db2.gz	GZSBHYVPXQDDOQ-UHFFFAOYSA-N	-2	3	192.170	2.145	40	0		AEABHL
CCC[C@@](C)(CC)P(=O)([O-])[O-]	116192904	343768428	/nfs/dbraw/zinc/76/84/28/343768428.db2.gz	KYKQOFKLMXZCGS-SSDOTTSWSA-N	-2	3	180.184	2.133	40	0		AEABHL
S=c1cc(S)[n-]nc1[S-]	8649840	351356324	/nfs/dbraw/zinc/35/63/24/351356324.db2.gz	YFZIEYJWTOQZHA-UHFFFAOYSA-N	-2	3	176.291	2.090	40	0		AEABHL
O=Nc1cc(Cl)c([O-])cc1[O-]	22054792	351411478	/nfs/dbraw/zinc/41/14/78/351411478.db2.gz	JVTXZVVELSONAM-UHFFFAOYSA-N	-2	3	173.555	2.149	40	0	in-vitro	AEABHL
[O-]c1cccc2sc(=S)[n-]c12	45235724	351543482	/nfs/dbraw/zinc/54/34/82/351543482.db2.gz	NTWWITFVZYGHPD-UHFFFAOYSA-N	-2	3	183.257	2.291	40	0		AEABHL
[O-]c1c(F)cc(C(F)F)c([O-])c1F	575629315	352869101	/nfs/dbraw/zinc/86/91/01/352869101.db2.gz	PTJDRVPXZFNVLY-UHFFFAOYSA-N	-2	3	196.099	2.314	40	0		AEABHL