smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)C(=O)C1=C([O-])C(C)(C)C(=O)C(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)C1=O	ZINC000103568105	560052079	/nfs/dbraw/zinc/05/20/79/560052079.db2.gz	HPLSDFLHIDTTJX-NSHDSACASA-N	-1	2	460.523	4.341	1	30	biogenic,in-vitro	JIEFLM
CC[C@H](C)C(=O)C1=C([O-])C(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)C(=O)C(C)(C)C1=O	ZINC000103568105	560052083	/nfs/dbraw/zinc/05/20/83/560052083.db2.gz	HPLSDFLHIDTTJX-NSHDSACASA-N	-1	2	460.523	4.341	1	30	biogenic,in-vitro	JIEFLM
CC[C@H](C)C([O-])=C1C(=O)C(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)C(=O)C(C)(C)C1=O	ZINC000103568105	560052084	/nfs/dbraw/zinc/05/20/84/560052084.db2.gz	HPLSDFLHIDTTJX-NSHDSACASA-N	-1	2	460.523	4.341	1	30	biogenic,in-vitro	JIEFLM
COc1cc(O)c2c(c1C(=O)NCc1cccc3ccccc31)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000034985333	563117838	/nfs/dbraw/zinc/11/78/38/563117838.db2.gz	GHOGOLYMMHFNIT-MUUNZHRXSA-N	-1	2	485.492	4.002	1	30	in-vitro	JIEFLM
COc1cc(O)c2c(c1C(=O)NCc1cccc3ccccc31)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000034985333	563117840	/nfs/dbraw/zinc/11/78/40/563117840.db2.gz	GHOGOLYMMHFNIT-MUUNZHRXSA-N	-1	2	485.492	4.002	1	30	in-vitro	JIEFLM
COc1cc(O)c2c(c1C(=O)NCc1cccc3ccccc31)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000034985333	563117841	/nfs/dbraw/zinc/11/78/41/563117841.db2.gz	GHOGOLYMMHFNIT-MUUNZHRXSA-N	-1	2	485.492	4.002	1	30	in-vitro	JIEFLM