smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]cnc2c1ncn2CCCCCCCP(=O)([O-])[O-]	ZINC000073198209	191291162	/nfs/dbraw/zinc/29/11/62/191291162.db2.gz	KQAHMRYXFUWNSK-UHFFFAOYSA-N	-2	3	314.282	1.248	1	0		DDAFHL
CCCCC[C@H](C)CNC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000064353914	184295562	/nfs/dbraw/zinc/29/55/62/184295562.db2.gz	TUNPACFTAZEZHX-QMMMGPOBSA-N	-4	3	303.232	1.431	1	0		DDAFHL
CCCCC[C@H](C)[NH2+]CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095580753	185381094	/nfs/dbraw/zinc/38/10/94/185381094.db2.gz	SYGGSEFCGGPAOU-QMMMGPOBSA-N	-3	3	303.232	1.226	1	0		DDAFHL
Nc1nc(C(=O)NCP(=O)([O-])[O-])c(-c2cccs2)s1	ZINC000066100463	184389390	/nfs/dbraw/zinc/38/93/90/184389390.db2.gz	BTSBNUDEJIJZRQ-UHFFFAOYSA-N	-2	3	319.304	1.319	1	0		DDAFHL
Cc1cc([O-])cc2c1C(=O)C[C@@](O)(Cc1cc([O-])cc(=O)o1)O2	ZINC000013369217	560215072	/nfs/dbraw/zinc/21/50/72/560215072.db2.gz	PCNFFWATXFRKOF-MRXNPFEDSA-N	-2	3	318.281	1.256	1	0	in-vitro	DDAFHL
CC(=O)c1cc(-c2csc(NC(=O)C(=O)[O-])n2)ccc1[O-]	ZINC000040639784	183113084	/nfs/dbraw/zinc/11/30/84/183113084.db2.gz	ZJBLLRDIWAWPTN-UHFFFAOYSA-N	-2	3	306.299	1.741	1	0		DDAFHL
CC(=O)N1CCN(c2c(C)c3c([O-])cc([O-])cc3oc2=O)CC1	ZINC000096914055	185391238	/nfs/dbraw/zinc/39/12/38/185391238.db2.gz	LUMZGVJYNWJXIZ-UHFFFAOYSA-N	-2	3	318.329	1.181	1	0		DDAFHL
CCCCC[C@@H](C)[NH2+]CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095580752	185381052	/nfs/dbraw/zinc/38/10/52/185381052.db2.gz	SYGGSEFCGGPAOU-MRVPVSSYSA-N	-3	3	303.232	1.226	1	0		DDAFHL
O=P([O-])([O-])C(Nc1nccc2ccccc21)P(=O)([O-])[O-]	ZINC000024666638	182386444	/nfs/dbraw/zinc/38/64/44/182386444.db2.gz	JPVMIOWESIQIGB-UHFFFAOYSA-N	-4	3	318.162	1.286	1	0	in-vitro	DDAFHL
Cc1cc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)[N-]2)no1	ZINC000100802185	193805096	/nfs/dbraw/zinc/80/50/96/193805096.db2.gz	OPUYWTXBZAJNII-UHFFFAOYSA-N	-2	3	321.314	1.140	1	0		DDAFHL
CCCCCCSCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095585545	185381650	/nfs/dbraw/zinc/38/16/50/185381650.db2.gz	MICBGHWLWMYXPJ-UHFFFAOYSA-N	-4	3	306.257	1.981	1	0		DDAFHL
C[C@H]1O[C@@H](CC(=O)[O-])Cc2cc3c(c([O-])c21)C(=O)CC[C@@H]3O	ZINC000015217308	560229421	/nfs/dbraw/zinc/22/94/21/560229421.db2.gz	WGMNUJNCGZFZPD-ZOFUNIGCSA-N	-2	3	306.314	1.879	1	0	in-vitro	DDAFHL
Cc1cc(=O)c2c([O-])cc([O-])c([C@H]3CCN(C)C[C@H]3O)c2o1	ZINC000000003985	560176556	/nfs/dbraw/zinc/17/65/56/560176556.db2.gz	MOCVYVBNJQIVOV-TVQRCGJNSA-N	-2	3	305.330	1.293	1	0	biogenic,in-vitro	DDAFHL
O=c1c2c([O-])cc([O-])cc2oc2c1-c1ccc(O)cc1O[C@@H]2O	ZINC000096917849	185391385	/nfs/dbraw/zinc/39/13/85/185391385.db2.gz	GEMHDCJCWRUUDD-INIZCTEOSA-N	-2	3	314.249	1.960	1	0		DDAFHL
COC(=O)C[C@@H](C(C)=O)c1cc(=O)c2c([O-])cc([O-])cc2o1	ZINC000014691865	560224619	/nfs/dbraw/zinc/22/46/19/560224619.db2.gz	LUSYBMBHUGHWAK-VIFPVBQESA-N	-2	3	306.270	1.440	1	0	biogenic,in-vitro	DDAFHL
O=C([O-])[C@](Cl)(Cc1cnc2ccccn12)P(=O)([O-])[O-]	ZINC000072118243	191039331	/nfs/dbraw/zinc/03/93/31/191039331.db2.gz	PMNHLHHRLSBUCE-JTQLQIEISA-N	-3	3	304.626	1.074	1	0		DDAFHL
O=C([O-])CCCc1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)cc1	ZINC000040940454	183150102	/nfs/dbraw/zinc/15/01/02/183150102.db2.gz	GUIUESFNWCGBNO-UHFFFAOYSA-N	-2	3	322.748	1.646	1	0		DDAFHL
O=C1C[C@@H]2Oc3c(c(=O)oc4cc([O-])cc([O-])c34)[C@@H]2CC1=O	ZINC000103579611	560051786	/nfs/dbraw/zinc/05/17/86/560051786.db2.gz	SPVMZHGXYDLRMF-LDWIPMOCSA-N	-2	3	302.238	1.946	1	0	biogenic,in-vitro	DDAFHL
Cc1cc([O-])cc2c1C(=O)C[C@](O)(Cc1cc([O-])cc(=O)o1)O2	ZINC000013369216	560215063	/nfs/dbraw/zinc/21/50/63/560215063.db2.gz	PCNFFWATXFRKOF-INIZCTEOSA-N	-2	3	318.281	1.256	1	0	in-vitro	DDAFHL
Nc1ccn(CCC[C@H](c2ccccc2)P(=O)([O-])[O-])c(=O)n1	ZINC000017219195	182080279	/nfs/dbraw/zinc/08/02/79/182080279.db2.gz	CNEPZYDAYHEFJQ-GFCCVEGCSA-N	-2	3	323.289	1.525	1	0		DDAFHL
O=C([O-])CCn1c2ccc(O)cc2c2c1ccc1c2C(=O)[N-]C1=O	ZINC000040421431	183064674	/nfs/dbraw/zinc/06/46/74/183064674.db2.gz	FLXRKROAYLDNNO-UHFFFAOYSA-N	-2	3	324.292	1.858	1	0		DDAFHL
COc1cc([O-])cc(C(=O)c2ccccc2)c1S(=O)(=O)[O-]	ZINC000039741168	183021862	/nfs/dbraw/zinc/02/18/62/183021862.db2.gz	PRIXMFZPTINUJK-UHFFFAOYSA-N	-2	3	308.311	1.879	3	0	in-man	DDAFHL
O=P([O-])([O-])C(NC1CCCCCCC1)P(=O)([O-])[O-]	ZINC000005840798	181288276	/nfs/dbraw/zinc/28/82/76/181288276.db2.gz	YLTFIVZSTCIQHV-UHFFFAOYSA-N	-4	3	301.216	1.328	1	0		DDAFHL
O=C([O-])[C@@](Cl)(Cc1cnc2ccccn12)P(=O)([O-])[O-]	ZINC000072118244	191038675	/nfs/dbraw/zinc/03/86/75/191038675.db2.gz	PMNHLHHRLSBUCE-SNVBAGLBSA-N	-3	3	304.626	1.074	1	0		DDAFHL
C[C@@H]1O[C@@H](CC(=O)[O-])Cc2cc3c(c([O-])c21)C(=O)CC[C@@H]3O	ZINC000015217307	560229408	/nfs/dbraw/zinc/22/94/08/560229408.db2.gz	WGMNUJNCGZFZPD-NMLBEHRDSA-N	-2	3	306.314	1.879	1	0	in-vitro	DDAFHL
O=C([O-])Cc1c(O)cc(O)cc1OC(=O)c1ccc([O-])cc1	ZINC000014817732	560226484	/nfs/dbraw/zinc/22/64/84/560226484.db2.gz	FARKQCFHLDLVHE-UHFFFAOYSA-N	-2	3	304.254	1.650	1	0	biogenic,in-vitro	DDAFHL
CCCCC[C@@H](C)CNC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000058581360	184123399	/nfs/dbraw/zinc/12/33/99/184123399.db2.gz	TUNPACFTAZEZHX-MRVPVSSYSA-N	-4	3	303.232	1.431	1	0		DDAFHL
O=c1c2c([O-])cc([O-])cc2oc2c1-c1ccc(O)cc1O[C@H]2O	ZINC000096917851	185391398	/nfs/dbraw/zinc/39/13/98/185391398.db2.gz	GEMHDCJCWRUUDD-MRXNPFEDSA-N	-2	3	314.249	1.960	1	0		DDAFHL
O=P([O-])([O-])C(Nc1cc2ccccc2cn1)P(=O)([O-])[O-]	ZINC000040764476	183131877	/nfs/dbraw/zinc/13/18/77/183131877.db2.gz	KRBSASQYLDARJO-UHFFFAOYSA-N	-4	3	318.162	1.286	1	0		DDAFHL
O=C([O-])CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1	ZINC000020112037	182188139	/nfs/dbraw/zinc/18/81/39/182188139.db2.gz	NMLUZBXINVLMNQ-UHFFFAOYSA-N	-2	3	320.305	1.837	1	0		DDAFHL