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[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000001530556	383903271	/nfs/dbraw/zinc/90/32/71/383903271.db2.gz	PPQRONHOSHZGFQ-VPENINKCSA-N	-1	2	230.109	-2.623	50	30	in-vitro	BAEALM
O=C[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001530556	383903268	/nfs/dbraw/zinc/90/32/68/383903268.db2.gz	PPQRONHOSHZGFQ-VPENINKCSA-N	-1	2	230.109	-2.623	50	30	in-vitro	BAEALM
O=CC[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000002522549	383969017	/nfs/dbraw/zinc/96/90/17/383969017.db2.gz	ALQNUOMIEBHXQG-CRCLSJGQSA-N	-1	2	214.110	-1.594	50	30	in-vitro	BAEALM
O=CC[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000002522549	383969013	/nfs/dbraw/zinc/96/90/13/383969013.db2.gz	ALQNUOMIEBHXQG-CRCLSJGQSA-N	-1	2	214.110	-1.594	50	30	in-vitro	BAEALM
O=CC[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004543673	384067741	/nfs/dbraw/zinc/06/77/41/384067741.db2.gz	ALQNUOMIEBHXQG-RFZPGFLSSA-N	-1	2	214.110	-1.594	50	30		BAEALM
O=CC[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004543673	384067739	/nfs/dbraw/zinc/06/77/39/384067739.db2.gz	ALQNUOMIEBHXQG-RFZPGFLSSA-N	-1	2	214.110	-1.594	50	30		BAEALM
O=CC[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000004543675	384066101	/nfs/dbraw/zinc/06/61/01/384066101.db2.gz	ALQNUOMIEBHXQG-WHFBIAKZSA-N	-1	2	214.110	-1.594	50	30		BAEALM
O=CC[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000004543675	384066098	/nfs/dbraw/zinc/06/60/98/384066098.db2.gz	ALQNUOMIEBHXQG-WHFBIAKZSA-N	-1	2	214.110	-1.594	50	30		BAEALM
O=CC[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000004543677	384065838	/nfs/dbraw/zinc/06/58/38/384065838.db2.gz	ALQNUOMIEBHXQG-UHNVWZDZSA-N	-1	2	214.110	-1.594	50	30		BAEALM
O=CC[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000004543677	384065837	/nfs/dbraw/zinc/06/58/37/384065837.db2.gz	ALQNUOMIEBHXQG-UHNVWZDZSA-N	-1	2	214.110	-1.594	50	30		BAEALM
O=CC[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004544032	387449264	/nfs/dbraw/zinc/44/92/64/387449264.db2.gz	MBPFNOMGYSRGQZ-PBXRRBTRSA-N	-1	2	244.136	-2.233	50	30	in-vitro,metabolite	BAEALM
O=CC[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004544032	387449259	/nfs/dbraw/zinc/44/92/59/387449259.db2.gz	MBPFNOMGYSRGQZ-PBXRRBTRSA-N	-1	2	244.136	-2.233	50	30	in-vitro,metabolite	BAEALM
O=C[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000008551307	560209182	/nfs/dbraw/zinc/20/91/82/560209182.db2.gz	PPQRONHOSHZGFQ-YUPRTTJUSA-N	-1	2	230.109	-2.623	50	30	in-vitro	BAEALM
O=C[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008551307	560209181	/nfs/dbraw/zinc/20/91/81/560209181.db2.gz	PPQRONHOSHZGFQ-YUPRTTJUSA-N	-1	2	230.109	-2.623	50	30	in-vitro	BAEALM
O=C[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000008551308	560209240	/nfs/dbraw/zinc/20/92/40/560209240.db2.gz	PPQRONHOSHZGFQ-VAYJURFESA-N	-1	2	230.109	-2.623	50	30	in-vitro	BAEALM
O=C[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008551308	560209239	/nfs/dbraw/zinc/20/92/39/560209239.db2.gz	PPQRONHOSHZGFQ-VAYJURFESA-N	-1	2	230.109	-2.623	50	30	in-vitro	BAEALM
Cc1c(C#N)c(=O)[nH]c(=O)n1CC(=O)[O-]	ZINC000012336485	370848066	/nfs/dbraw/zinc/84/80/66/370848066.db2.gz	AIONAEISTHAXLB-UHFFFAOYSA-N	-1	2	209.161	-1.199	50	30		BAEALM
O=C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000022116391	388640802	/nfs/dbraw/zinc/64/08/02/388640802.db2.gz	PPQRONHOSHZGFQ-LMVFSUKVSA-N	-1	2	230.109	-2.623	50	30	biogenic,in-vivo	BAEALM
O=C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000022116391	388640801	/nfs/dbraw/zinc/64/08/01/388640801.db2.gz	PPQRONHOSHZGFQ-LMVFSUKVSA-N	-1	2	230.109	-2.623	50	30	biogenic,in-vivo	BAEALM