smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])cc2c1N=C(c1ccc([O-])c(Br)c1)[C@H](C)O2	ZINC000026392041	202142804	/nfs/dbraw/zinc/14/28/04/202142804.db2.gz	WWJZJWIIIZNMSR-VIFPVBQESA-N	-2	3	348.196	4.070	1	0		EIAFHL
COc1ccc(C[C@H](c2cccc3ccccc32)P(=O)([O-])[O-])cc1	ZINC000029482900	202187569	/nfs/dbraw/zinc/18/75/69/202187569.db2.gz	UZPSPPXMCYKFAI-LJQANCHMSA-N	-2	3	342.331	4.310	1	0		EIAFHL
COc1ccc(C[C@@H](c2cccc3ccccc32)P(=O)([O-])[O-])cc1	ZINC000029482897	202188096	/nfs/dbraw/zinc/18/80/96/202188096.db2.gz	UZPSPPXMCYKFAI-IBGZPJMESA-N	-2	3	342.331	4.310	1	0		EIAFHL
Cc1cc([O-])cc2c1N=C(c1ccc([O-])c(Br)c1)[C@@H](C)O2	ZINC000026392045	202143048	/nfs/dbraw/zinc/14/30/48/202143048.db2.gz	WWJZJWIIIZNMSR-SECBINFHSA-N	-2	3	348.196	4.070	1	0		EIAFHL
CC(C)=CCc1cc2c(=O)cc(-c3ccc(O)cc3[O-])oc2cc1[O-]	ZINC000073165352	203258929	/nfs/dbraw/zinc/25/89/29/203258929.db2.gz	CFFDERDYMIPGLR-UHFFFAOYSA-N	-2	3	338.359	4.086	1	0		EIAFHL
CCn1c(-c2cc(-c3ccc(F)cc3F)ccc2[O-])n[n-]c1=S	ZINC000028712827	202175924	/nfs/dbraw/zinc/17/59/24/202175924.db2.gz	DOBOUHCAVMUXPX-UHFFFAOYSA-N	-2	3	333.363	4.278	1	0		EIAFHL
CC1(C)C=Cc2c([O-])cc3oc(-c4ccc([O-])cc4)cc(=O)c3c2O1	ZINC000014883690	291005848	/nfs/dbraw/zinc/00/58/48/291005848.db2.gz	GHUQHFLVTXMEHU-UHFFFAOYSA-N	-2	3	336.343	4.055	1	0	biogenic,in-vitro	EIAFHL
O=C(c1cccc([O-])c1)c1cccc(-c2ccc([O-])c(Cl)c2)n1	ZINC000073197386	216362225	/nfs/dbraw/zinc/36/22/25/216362225.db2.gz	FQCJYUZSELHBFT-UHFFFAOYSA-N	-2	3	325.751	4.044	1	0		EIAFHL
COc1cc(Cl)c(Nc2ccccc2CC(=O)[O-])c(Cl)c1[O-]	ZINC000005998807	560204176	/nfs/dbraw/zinc/20/41/76/560204176.db2.gz	YALZBLAHGKGDMB-UHFFFAOYSA-N	-2	3	342.178	4.078	1	0	in-vitro	EIAFHL
CC(C)CC(=O)c1c([O-])cc([O-])c2c(-c3ccccc3)cc(=O)oc12	ZINC000013335117	560105279	/nfs/dbraw/zinc/10/52/79/560105279.db2.gz	GKEWZBRIASMMCY-UHFFFAOYSA-N	-2	3	338.359	4.100	1	0	biogenic,in-vivo	EIAFHL
CC(C)=CCc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)ccc1O	ZINC000005195832	560201312	/nfs/dbraw/zinc/20/13/12/560201312.db2.gz	PFQMUQWFRINBBG-UHFFFAOYSA-N	-2	3	338.359	4.086	1	0	biogenic,in-vitro	EIAFHL
CCOc1ccc(-c2snnc2-c2cc(Cl)c([O-])cc2[O-])cc1	ZINC000040392358	213296711	/nfs/dbraw/zinc/29/67/11/213296711.db2.gz	RFRZSMIYYCXYNL-UHFFFAOYSA-N	-2	3	348.811	4.335	1	0	in-vitro	EIAFHL
CC1(C)C=Cc2c([O-])ccc(-c3cc4ccc([O-])cc4oc3=O)c2O1	ZINC000015257358	291005841	/nfs/dbraw/zinc/00/58/41/291005841.db2.gz	QOWFWSZIEKUOSQ-UHFFFAOYSA-N	-2	3	336.343	4.055	1	0	biogenic,in-vitro	EIAFHL
CC(C)=CCc1c([O-])ccc2c(=O)c(-c3ccc(O)cc3[O-])coc21	ZINC000103268575	219280365	/nfs/dbraw/zinc/28/03/65/219280365.db2.gz	ZXNZQHNHLFKSFZ-UHFFFAOYSA-N	-2	3	338.359	4.086	1	0		EIAFHL
CC1(C)C=Cc2cc(-c3cc(=O)c4c([O-])cc([O-])cc4o3)ccc2O1	ZINC000015119491	291005926	/nfs/dbraw/zinc/00/59/26/291005926.db2.gz	GPXYBBZISZKRAH-UHFFFAOYSA-N	-2	3	336.343	4.055	1	0	biogenic,in-vitro	EIAFHL
COc1ccc(-c2c(C)[nH]nc2-c2cc(Cl)c([O-])cc2[O-])cc1	ZINC000004617888	210231861	/nfs/dbraw/zinc/23/18/61/210231861.db2.gz	NOPCVCOFHGDYAB-UHFFFAOYSA-N	-2	3	330.771	4.125	1	0		EIAFHL