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)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008217074	571691725	/nfs/dbraw/zinc/69/17/25/571691725.db2.gz	NGFSMHKFTZROKJ-MMSZMYIBSA-N	-2	1	586.687	9.811	10	0	endogenous,in-man	KKAEML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008217074	571691732	/nfs/dbraw/zinc/69/17/32/571691732.db2.gz	NGFSMHKFTZROKJ-MMSZMYIBSA-N	-2	1	586.687	9.811	10	0	endogenous,in-man	KKAEML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008219152	571691963	/nfs/dbraw/zinc/69/19/63/571691963.db2.gz	JMVSBFJBMXQNJW-GIXZANJISA-N	-2	1	518.568	8.085	10	0	endogenous,in-man	KKAEML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008219152	571691968	/nfs/dbraw/zinc/69/19/68/571691968.db2.gz	JMVSBFJBMXQNJW-GIXZANJISA-N	-2	1	518.568	8.085	10	0	endogenous,in-man	KKAEML
O=P([O-])([O-])Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O	ZINC000002016174	561680523	/nfs/dbraw/zinc/68/05/23/561680523.db2.gz	MMYHZEDBTMXYAF-UHFFFAOYSA-N	-2	1	581.773	5.581	10	0	in-man	KKAEML
O=C1C[C@H](c2ccc(O)c(-c3c([O-])cc(O)c4c3O[C@@H](c3ccc(O)cc3)CC4=O)c2)Oc2cc(O)cc(O)c21	ZINC000005493459	571360427	/nfs/dbraw/zinc/36/04/27/571360427.db2.gz	ULTQJSQDLWNWTR-JWQCQUIFSA-N	-2	1	542.496	5.000	10	0		KKAEML
O=C([O-])c1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1	ZINC000006858017	552974533	/nfs/dbraw/zinc/97/45/33/552974533.db2.gz	HKJUOMPYMPXLFS-UHFFFAOYSA-N	-2	1	733.803	5.301	10	0	in-vitro	KKAEML
O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)oc3cc(-c5nc(-c6ccc(C(=O)[O-])cc6)[nH]c5-c5ccccc5)ccc34)[nH]2)cc1	ZINC000150356812	571463282	/nfs/dbraw/zinc/46/32/82/571463282.db2.gz	WNSQAEZVYAATQL-UHFFFAOYSA-N	-2	1	692.731	10.431	10	0		KKAEML
O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5nc(-c6ccc(C(=O)[O-])cc6)[nH]c5-c5ccccc5)ccc34)c(-c3ccccc3)[nH]2)cc1	ZINC000150356812	571463283	/nfs/dbraw/zinc/46/32/83/571463283.db2.gz	WNSQAEZVYAATQL-UHFFFAOYSA-N	-2	1	692.731	10.431	10	0		KKAEML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008219146	571691915	/nfs/dbraw/zinc/69/19/15/571691915.db2.gz	LSJLEXWXRKTZAJ-YUIIPXGZSA-N	-2	1	654.806	11.538	10	0	endogenous,in-man	KKAEML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008219146	571691918	/nfs/dbraw/zinc/69/19/18/571691918.db2.gz	LSJLEXWXRKTZAJ-YUIIPXGZSA-N	-2	1	654.806	11.538	10	0	endogenous,in-man	KKAEML
O=C1C[C@@H](c2ccc(O)c(-c3c([O-])cc(O)c4c3O[C@H](c3ccc(O)cc3)CC4=O)c2)Oc2cc(O)cc(O)c21	ZINC000005493456	571360424	/nfs/dbraw/zinc/36/04/24/571360424.db2.gz	ULTQJSQDLWNWTR-DQEYMECFSA-N	-2	1	542.496	5.000	10	0	biogenic	KKAEML
O=C1C[C@H](c2ccc(O)c(-c3c([O-])cc(O)c4c3O[C@H](c3ccc(O)cc3)CC4=O)c2)Oc2cc(O)cc(O)c21	ZINC000005493458	571360430	/nfs/dbraw/zinc/36/04/30/571360430.db2.gz	ULTQJSQDLWNWTR-LOSJGSFVSA-N	-2	1	542.496	5.000	10	0		KKAEML
O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc([O-])c2-c1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O	ZINC000005493457	571360433	/nfs/dbraw/zinc/36/04/33/571360433.db2.gz	ULTQJSQDLWNWTR-RPBOFIJWSA-N	-2	1	542.496	5.000	10	0		KKAEML
O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3cc(-c5[nH]c(-c6ccc(C(=O)[O-])cc6)nc5-c5ccccc5)ccc3-4)c(-c3ccccc3)[nH]2)cc1	ZINC000150356819	571463301	/nfs/dbraw/zinc/46/33/01/571463301.db2.gz	FBXNVQGNUZEPBG-UHFFFAOYSA-N	-2	1	704.742	9.743	10	0		KKAEML
O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3cc(-c5nc(-c6ccc(C(=O)[O-])cc6)[nH]c5-c5ccccc5)ccc3-4)c(-c3ccccc3)[nH]2)cc1	ZINC000150356819	571463302	/nfs/dbraw/zinc/46/33/02/571463302.db2.gz	FBXNVQGNUZEPBG-UHFFFAOYSA-N	-2	1	704.742	9.743	10	0		KKAEML