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(CO)C([O-])=C(O)[C@@H](O)CO	111461421	571862112	/nfs/dbraw/zinc/86/21/12/571862112.db2.gz	ZJLNMPGCXVVXDR-WVZVXSGGSA-N	-1	1	178.140	-3.169	10	10		AACEMM
O=C(CO)C([O-])=C(O)[C@H](O)CO	111461420	571862543	/nfs/dbraw/zinc/86/25/43/571862543.db2.gz	ZJLNMPGCXVVXDR-WUJLRWPWSA-N	-1	1	178.140	-3.169	10	10		AACEMM
O=C(CO)C([O-])=C(O)[C@@H](O)CO	111461418	571864827	/nfs/dbraw/zinc/86/48/27/571864827.db2.gz	ZJLNMPGCXVVXDR-UCORVYFPSA-N	-1	1	178.140	-3.169	10	10		AACEMM
NC=C1C(=O)[N-]C(=S)NC1=O	33846201	572038985	/nfs/dbraw/zinc/03/89/85/572038985.db2.gz	JESGXIMAVOCUGQ-UHFFFAOYSA-N	-1	1	171.181	-1.640	10	10		AACEMM
CN1CC(=O)C(O)=C1CC(=O)[O-]	238327703	573265079	/nfs/dbraw/zinc/26/50/79/573265079.db2.gz	AWEOEEAEMRTNGN-BYPYZUCNSA-N	-1	1	171.152	-1.087	10	10		AACEMM
CN1CC(=O)C(O)=C1CC(=O)[O-]	238327712	573266940	/nfs/dbraw/zinc/26/69/40/573266940.db2.gz	AWEOEEAEMRTNGN-SCSAIBSYSA-N	-1	1	171.152	-1.087	10	10		AACEMM
CN(C)C=C1C(=O)[N-]C(=S)NC1=O	238325215	573291194	/nfs/dbraw/zinc/29/11/94/573291194.db2.gz	MGBXJSQEAHCKES-UHFFFAOYSA-N	-1	1	199.235	-1.037	10	10		AACEMM
CC1=C(O)C(=O)[C@@H](C(=O)C(=O)[O-])C1=O	238394086	573435425	/nfs/dbraw/zinc/43/54/25/573435425.db2.gz	YGHCDEOEBUXLDN-GBXIJSLDSA-N	-1	1	198.130	-1.387	10	10		AACEMM
CC1=C(O)C(=O)[C@H](C(=O)C(=O)[O-])C1=O	238393613	573435539	/nfs/dbraw/zinc/43/55/39/573435539.db2.gz	YGHCDEOEBUXLDN-PWNYCUMCSA-N	-1	1	198.130	-1.387	10	10		AACEMM
CC1=C(O)C(=O)[C@@H](C(=O)C(=O)[O-])C1=O	238437742	573550784	/nfs/dbraw/zinc/55/07/84/573550784.db2.gz	YGHCDEOEBUXLDN-HRFVKAFMSA-N	-1	1	198.130	-1.387	10	10		AACEMM
CC1=C(O)C(=O)[C@H](C(=O)C(=O)[O-])C1=O	238437448	573551620	/nfs/dbraw/zinc/55/16/20/573551620.db2.gz	YGHCDEOEBUXLDN-STHAYSLISA-N	-1	1	198.130	-1.387	10	10		AACEMM
O=C1C(O)=C([O-])[C@H](O)[C@@H](O)[C@@H]1O	101869559	573884779	/nfs/dbraw/zinc/88/47/79/573884779.db2.gz	CHBOOQANOWFPGB-AJSXGEPRSA-N	-1	1	176.124	-3.418	10	10		AACEMM
NNC=C1C(=O)[N-]C(=S)NC1=O	82151689	169236531	/nfs/dbraw/zinc/23/65/31/169236531.db2.gz	UTYALMREDMLJOC-UHFFFAOYSA-N	-1	1	186.196	-2.136	10	10		AACEMM
[NH3+][C@@H](NN=CC(=O)[O-])C(=O)[O-]	100203873	169241386	/nfs/dbraw/zinc/24/13/86/169241386.db2.gz	WQMUMFPZBCPWQV-LDHNOCAXSA-N	-1	1	161.117	-1.107	10	10		AACEMM
[NH3+][C@H](NN=CC(=O)[O-])C(=O)[O-]	100203879	169261908	/nfs/dbraw/zinc/26/19/08/169261908.db2.gz	WQMUMFPZBCPWQV-QVRJCHDNSA-N	-1	1	161.117	-1.107	10	10		AACEMM
O=C(CO)C([O-])=C(O)[C@H](O)CO	100124170	169320992	/nfs/dbraw/zinc/32/09/92/169320992.db2.gz	ZJLNMPGCXVVXDR-NQXXGFSBSA-N	-1	1	178.140	-3.169	10	10		AACEMM
O=C([O-])N=C1NNC(=O)C1=O	90696797	169344611	/nfs/dbraw/zinc/34/46/11/169344611.db2.gz	CEGHWNHLHREVPW-UHFFFAOYSA-N	-1	1	157.085	-1.734	10	10		AACEMM
O=C1C(O)=C([O-])[C@@H]1O	34120428	169366012	/nfs/dbraw/zinc/36/60/12/169366012.db2.gz	LOXKJXLULTVXGW-XIXRPRMCSA-N	-1	1	116.072	-2.140	10	10		AACEMM