smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)c2cc(C)cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)c2C)cc1	ZINC000006198778	562937054	/nfs/dbraw/zinc/93/70/54/562937054.db2.gz	VUONIWZYCHRGQL-UHFFFAOYSA-N	-2	1	459.545	3.944	3	0		JHAFML
CC(C)(C)C(=O)OCOP(=O)([O-])C(Cl)(Cl)[P@@](=O)([O-])OCOC(=O)C(C)(C)C	ZINC000027559484	563046679	/nfs/dbraw/zinc/04/66/79/563046679.db2.gz	ZFIUVNILADYOSV-UHFFFAOYSA-N	-2	1	473.179	3.573	1	0		JHAFML
CC(=O)c1ccccc1-c1cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1[O-]	ZINC000014957087	563007940	/nfs/dbraw/zinc/00/79/40/563007940.db2.gz	PEBAPLZXXYWDMC-KRWDZBQOSA-N	-2	1	486.484	3.732	1	0		JHAFML
O=C([O-])[C@@H](COc1ccccc1)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1nn[n-]n1	ZINC000029244123	563099379	/nfs/dbraw/zinc/09/93/79/563099379.db2.gz	HVAMQUDKCMUIGF-DHIUTWEWSA-N	-2	1	485.544	3.512	1	0		JHAFML
CC(=O)c1ccccc1-c1cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1[O-]	ZINC000014957083	563007911	/nfs/dbraw/zinc/00/79/11/563007911.db2.gz	PEBAPLZXXYWDMC-QGZVFWFLSA-N	-2	1	486.484	3.732	1	0		JHAFML
O=C([O-])[C@H](COc1ccccc1)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1nn[n-]n1	ZINC000029244129	563099403	/nfs/dbraw/zinc/09/94/03/563099403.db2.gz	HVAMQUDKCMUIGF-PKTZIBPZSA-N	-2	1	485.544	3.512	1	0		JHAFML
O=[P@]([O-])(O)C[P@](=O)([O-])CCCNc1nc2c(ncn2C2CCCC2)c(Nc2ccccc2)n1	ZINC000013538698	562972926	/nfs/dbraw/zinc/97/29/26/562972926.db2.gz	KXQJOSUYJXZIHG-UHFFFAOYSA-N	-2	1	494.429	3.893	1	0		JHAFML
O=C([O-])CC[C@@H](NC(=O)c1ccc(CNc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1)C(=O)[O-]	ZINC000040936772	563158090	/nfs/dbraw/zinc/15/80/90/563158090.db2.gz	AQJKYFLGRVVSNX-LVSMMTLPSA-N	-3	1	499.570	3.676	1	0		JHAFML
O=C([O-])[C@@H](COc1ccccc1)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1nnn[n-]1	ZINC000029309060	563099796	/nfs/dbraw/zinc/09/97/96/563099796.db2.gz	LRDSLCWURHWUFE-FGZHOGPDSA-N	-2	1	471.517	3.834	1	0		JHAFML
O=C([O-])[C@@H](COc1ccccc1)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1nn[n-]n1	ZINC000029309060	563099797	/nfs/dbraw/zinc/09/97/97/563099797.db2.gz	LRDSLCWURHWUFE-FGZHOGPDSA-N	-2	1	471.517	3.834	1	0		JHAFML
CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(=O)c2cccc(O)c2[n-]1	ZINC000013447077	562964373	/nfs/dbraw/zinc/96/43/73/562964373.db2.gz	GEEJEIXMVFCBTO-GOSISDBHSA-N	-2	1	473.570	3.818	1	0		JHAFML
Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1C	ZINC000028571534	563071108	/nfs/dbraw/zinc/07/11/08/563071108.db2.gz	VBDTWWNMXKOSDG-UHFFFAOYSA-N	-3	1	468.487	3.753	1	0		JHAFML
O=C([O-])[C@H](COc1ccccc1)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1nnn[n-]1	ZINC000029309066	563099806	/nfs/dbraw/zinc/09/98/06/563099806.db2.gz	LRDSLCWURHWUFE-YADHBBJMSA-N	-2	1	471.517	3.834	1	0		JHAFML
O=C([O-])[C@H](COc1ccccc1)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1nn[n-]n1	ZINC000029309066	563099807	/nfs/dbraw/zinc/09/98/07/563099807.db2.gz	LRDSLCWURHWUFE-YADHBBJMSA-N	-2	1	471.517	3.834	1	0		JHAFML
O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NCCCn2ccnc2)ccc2c1CCCC2	ZINC000014964544	563008723	/nfs/dbraw/zinc/00/87/23/563008723.db2.gz	UAAWCSSPBBXMKT-UHFFFAOYSA-N	-2	1	454.552	3.763	1	0		JHAFML
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[P@](=O)([O-])N[C@@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O	ZINC000029130330	563096972	/nfs/dbraw/zinc/09/69/72/563096972.db2.gz	HIOSRMOCAZEVOO-KATOKOOASA-N	-3	1	499.541	3.991	1	0		JHAFML
C/C(=C\CO[P@@](=O)([O-])O[P@@](=O)([O-])O)COCc1cccc(C(=O)c2ccccc2)c1	ZINC000038969891	563135913	/nfs/dbraw/zinc/13/59/13/563135913.db2.gz	FRRDOMJIBSXIKE-XNTDXEJSSA-N	-2	1	456.324	3.607	1	0		JHAFML
C/C(=C\CO[P@@](=O)([O-])O[P@](=O)([O-])O)COCc1cccc(C(=O)c2ccccc2)c1	ZINC000038969891	563135914	/nfs/dbraw/zinc/13/59/14/563135914.db2.gz	FRRDOMJIBSXIKE-XNTDXEJSSA-N	-2	1	456.324	3.607	1	0		JHAFML
Cc1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)s1	ZINC000008674505	562950457	/nfs/dbraw/zinc/95/04/57/562950457.db2.gz	YHFXJWRRQDJXOA-UHFFFAOYSA-N	-2	1	460.562	3.601	1	0		JHAFML