smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1[nH+]c2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[n-]2)cc1	ZINC000013760697	562989489	/nfs/dbraw/zinc/98/94/89/562989489.db2.gz	CVRZBKHIZCNPES-UHFFFAOYSA-N	-1	2	457.515	4.303	1	0		JIAFLM
O=C([O-])c1nc(-c2sccc2NC(=O)Cc2c3ccccc3[nH]c2-c2ccccc2)[nH]c(=O)c1O	ZINC000003583268	562927211	/nfs/dbraw/zinc/92/72/11/562927211.db2.gz	WUXVBWTZWZFCCU-UHFFFAOYSA-N	-1	2	486.509	4.232	1	0		JIAFLM
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@@H]2Cc2ccc(O)cc2)cc1O	ZINC000013760682	562989478	/nfs/dbraw/zinc/98/94/78/562989478.db2.gz	WOFBHAKTZOZODW-IVZQSRNASA-N	-1	2	492.480	4.006	1	0		JIAFLM
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2Cc2ccc(O)cc2)cc1O	ZINC000002002058	562924407	/nfs/dbraw/zinc/92/44/07/562924407.db2.gz	WOFBHAKTZOZODW-OYHNWAKOSA-N	-1	2	492.480	4.006	1	0		JIAFLM
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@@H]2Cc2ccc(O)cc2)cc1O	ZINC000003929208	562930059	/nfs/dbraw/zinc/93/00/59/562930059.db2.gz	WOFBHAKTZOZODW-QRQCRPRQSA-N	-1	2	492.480	4.006	1	0		JIAFLM
O=c1oc2c(c(O)c1[C@H](c1cccc([N-]S(=O)(=O)c3ncccn3)c1)C1CC1)CCCCCC2	ZINC000100763695	581101538	/nfs/dbraw/zinc/10/15/38/581101538.db2.gz	LMGJQNVWIRQLDR-NRFANRHFSA-N	-1	2	481.574	4.137	1	0		JIAFLM
Cc1cc(S(=O)(=O)Nc2nnc3c(Cl)cc(C(F)(F)F)cn23)c([S-])cc1Cl	ZINC000001645166	562922190	/nfs/dbraw/zinc/92/21/90/562922190.db2.gz	AFTIRELMMNXEKC-UHFFFAOYSA-N	-1	2	457.286	4.453	1	0		JIAFLM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(C(=O)[O-])cc1	ZINC000013136957	562961623	/nfs/dbraw/zinc/96/16/23/562961623.db2.gz	PFRXTDRRFFQXBY-UHFFFAOYSA-N	-1	2	480.524	4.140	3	0		JIAFLM
O=[P@@]([O-])(O)C(F)(F)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	ZINC000028528961	563068400	/nfs/dbraw/zinc/06/84/00/563068400.db2.gz	NTNNAUBRLBPNTB-UHFFFAOYSA-N	-1	2	467.430	4.305	1	0		JIAFLM
O=[P@]([O-])(O)C(F)(F)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	ZINC000028528961	563068401	/nfs/dbraw/zinc/06/84/01/563068401.db2.gz	NTNNAUBRLBPNTB-UHFFFAOYSA-N	-1	2	467.430	4.305	1	0		JIAFLM
O=c1oc2c(c(O)c1[C@@H](c1cccc([N-]S(=O)(=O)c3ncccn3)c1)C1CC1)CCCCCC2	ZINC000100763698	581101450	/nfs/dbraw/zinc/10/14/50/581101450.db2.gz	LMGJQNVWIRQLDR-OAQYLSRUSA-N	-1	2	481.574	4.137	1	0		JIAFLM
CC(=O)c1cc(CNC(=O)c2ccc(O[P@@](=O)([O-])O)cc2)ccc1OCC1CCCCC1	ZINC000026173493	563023395	/nfs/dbraw/zinc/02/33/95/563023395.db2.gz	XSBRNOXAUJFSRN-UHFFFAOYSA-N	-1	2	461.451	4.250	1	0		JIAFLM
CC(=O)c1cc(CNC(=O)c2ccc(O[P@](=O)([O-])O)cc2)ccc1OCC1CCCCC1	ZINC000026173493	563023397	/nfs/dbraw/zinc/02/33/97/563023397.db2.gz	XSBRNOXAUJFSRN-UHFFFAOYSA-N	-1	2	461.451	4.250	1	0		JIAFLM
O=c1oc2c(c(O)c1[C@@H](c1cccc([N-]S(=O)(=O)c3cnccn3)c1)C1CC1)CCCCCC2	ZINC000100763650	581101573	/nfs/dbraw/zinc/10/15/73/581101573.db2.gz	UXUYVVZEPCNACB-JOCHJYFZSA-N	-1	2	481.574	4.137	1	0		JIAFLM
O=C(N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O)c1ccc(O[P@](=O)([O-])O)cc1	ZINC000013441004	562963210	/nfs/dbraw/zinc/96/32/10/562963210.db2.gz	AYFIHOYRCSORDN-DEOSSOPVSA-N	-1	2	494.484	4.136	1	0		JIAFLM
O=C(N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O)c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000013441004	562963212	/nfs/dbraw/zinc/96/32/12/562963212.db2.gz	AYFIHOYRCSORDN-DEOSSOPVSA-N	-1	2	494.484	4.136	1	0		JIAFLM
O=C([O-])c1ccccc1C(=O)NCCOC(=S)Nc1ccc(OCc2ccccc2)cc1	ZINC000028520716	563066262	/nfs/dbraw/zinc/06/62/62/563066262.db2.gz	VTXGCCUCEZLHSM-UHFFFAOYSA-N	-1	2	450.516	4.107	1	0		JIAFLM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1O[P@@](=O)([O-])O	ZINC000013832860	563000124	/nfs/dbraw/zinc/00/01/24/563000124.db2.gz	WNATVHYRFUDNAE-UHFFFAOYSA-N	-1	2	480.465	4.207	1	0		JIAFLM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1O[P@](=O)([O-])O	ZINC000013832860	563000126	/nfs/dbraw/zinc/00/01/26/563000126.db2.gz	WNATVHYRFUDNAE-UHFFFAOYSA-N	-1	2	480.465	4.207	1	0		JIAFLM
O=C(NCc1ccccc1)c1ccc2cc(Br)c(C(F)(F)[P@](=O)([O-])O)cc2n1	ZINC000029047775	563092610	/nfs/dbraw/zinc/09/26/10/563092610.db2.gz	ROGRWHZGEHIBNQ-UHFFFAOYSA-N	-1	2	471.194	4.154	1	0		JIAFLM
O=C(NCc1ccccc1)c1ccc2cc(Br)c(C(F)(F)[P@@](=O)([O-])O)cc2n1	ZINC000029047775	563092612	/nfs/dbraw/zinc/09/26/12/563092612.db2.gz	ROGRWHZGEHIBNQ-UHFFFAOYSA-N	-1	2	471.194	4.154	1	0		JIAFLM
O=c1oc2c(c(O)c1[C@H](c1cccc([N-]S(=O)(=O)c3cnccn3)c1)C1CC1)CCCCCC2	ZINC000100763647	581101589	/nfs/dbraw/zinc/10/15/89/581101589.db2.gz	UXUYVVZEPCNACB-QFIPXVFZSA-N	-1	2	481.574	4.137	1	0		JIAFLM
O=C(Nc1ccccc1)c1ccc2cc(Br)c(C(F)(F)[P@](=O)([O-])O)cc2n1	ZINC000029047902	563092605	/nfs/dbraw/zinc/09/26/05/563092605.db2.gz	MCWQKJKJVFCSKO-UHFFFAOYSA-N	-1	2	457.167	4.477	1	0		JIAFLM
O=C(Nc1ccccc1)c1ccc2cc(Br)c(C(F)(F)[P@@](=O)([O-])O)cc2n1	ZINC000029047902	563092606	/nfs/dbraw/zinc/09/26/06/563092606.db2.gz	MCWQKJKJVFCSKO-UHFFFAOYSA-N	-1	2	457.167	4.477	1	0		JIAFLM
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@H]2Cc2ccc(O)cc2)cc1O	ZINC000029469478	563104430	/nfs/dbraw/zinc/10/44/30/563104430.db2.gz	WOFBHAKTZOZODW-NYHFZMIOSA-N	-1	2	492.480	4.006	1	0		JIAFLM