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([O-])CCC(=O)N[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)C(=O)NCCCn1cc[nH+]c1	ZINC000013472255	562965827	/nfs/dbraw/zinc/96/58/27/562965827.db2.gz	AFMNJNFNIPIFIL-INIZCTEOSA-N	-2	2	490.469	-0.102	1	0		JBAFLL
CC(C)(C)OC(=O)NCCNC(=O)C[N@@H+](CC(=O)[O-])[C@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000019366903	563015064	/nfs/dbraw/zinc/01/50/64/563015064.db2.gz	YYXCSLKNROHMQR-GJZGRUSLSA-N	-2	2	488.538	-0.204	1	0		JBAFLL
CC(C)(C)OC(=O)NCCNC(=O)C[N@H+](CC(=O)[O-])[C@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000019366903	563015063	/nfs/dbraw/zinc/01/50/63/563015063.db2.gz	YYXCSLKNROHMQR-GJZGRUSLSA-N	-2	2	488.538	-0.204	1	0		JBAFLL
CC(C)(C)OC(=O)NCCNC(=O)C[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000022034091	563016754	/nfs/dbraw/zinc/01/67/54/563016754.db2.gz	YYXCSLKNROHMQR-CABCVRRESA-N	-2	2	488.538	-0.204	1	0		JBAFLL
CC(C)(C)OC(=O)NCCNC(=O)C[N@H+](CC(=O)[O-])[C@@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000022034091	563016753	/nfs/dbraw/zinc/01/67/53/563016753.db2.gz	YYXCSLKNROHMQR-CABCVRRESA-N	-2	2	488.538	-0.204	1	0		JBAFLL
O=C([O-])C1=C[C@@H](O[P@](=O)([O-])O)[C@@H](O)[C@H](O[C@](OP(=O)([O-])[O-])(C(=O)[O-])C(F)(F)F)C1	ZINC000026716076	563033694	/nfs/dbraw/zinc/03/36/94/563033694.db2.gz	IIECSJAERYANJH-SPPFEBNGSA-N	-5	2	476.142	-0.922	1	0		JBAFLL
O=C([O-])C1=C[C@@H](O[P@@](=O)([O-])O)[C@@H](O)[C@H](O[C@](OP(=O)([O-])[O-])(C(=O)[O-])C(F)(F)F)C1	ZINC000026716076	563033693	/nfs/dbraw/zinc/03/36/93/563033693.db2.gz	IIECSJAERYANJH-SPPFEBNGSA-N	-5	2	476.142	-0.922	1	0		JBAFLL
O=C([O-])CCC(=O)N[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)C(=O)NCCCn1cc[nH+]c1	ZINC000027706843	563049523	/nfs/dbraw/zinc/04/95/23/563049523.db2.gz	AFMNJNFNIPIFIL-MRXNPFEDSA-N	-2	2	490.469	-0.102	1	0		JBAFLL
CCCC[C@@H]([NH3+])C(=O)NC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027709790	563049715	/nfs/dbraw/zinc/04/97/15/563049715.db2.gz	UBNJODKTIFQJEB-HUUCEWRRSA-N	-2	2	495.485	-0.344	1	0		JBAFLL
CCCC[C@H]([NH3+])C(=O)NC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027709796	563049722	/nfs/dbraw/zinc/04/97/22/563049722.db2.gz	UBNJODKTIFQJEB-LSDHHAIUSA-N	-2	2	495.485	-0.344	1	0		JBAFLL
CCCC[C@@H]([NH3+])C(=O)NC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027709799	563049724	/nfs/dbraw/zinc/04/97/24/563049724.db2.gz	UBNJODKTIFQJEB-CABCVRRESA-N	-2	2	495.485	-0.344	1	0		JBAFLL
CCCC[C@H]([NH3+])C(=O)NC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027709804	563049717	/nfs/dbraw/zinc/04/97/17/563049717.db2.gz	UBNJODKTIFQJEB-GJZGRUSLSA-N	-2	2	495.485	-0.344	1	0		JBAFLL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCO[P@](=O)([O-])O)C(=O)[O-])cc3)cnc2n1	ZINC000028763649	563078504	/nfs/dbraw/zinc/07/85/04/563078504.db2.gz	OFDRKIQYYPSMTJ-LBPRGKRZSA-N	-2	2	492.389	-0.121	1	0		JBAFLL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCO[P@@](=O)([O-])O)C(=O)[O-])cc3)cnc2n1	ZINC000028763649	563078502	/nfs/dbraw/zinc/07/85/02/563078502.db2.gz	OFDRKIQYYPSMTJ-LBPRGKRZSA-N	-2	2	492.389	-0.121	1	0		JBAFLL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCO[P@](=O)([O-])O)C(=O)[O-])cc3)cnc2n1	ZINC000028763651	563078517	/nfs/dbraw/zinc/07/85/17/563078517.db2.gz	OFDRKIQYYPSMTJ-GFCCVEGCSA-N	-2	2	492.389	-0.121	1	0		JBAFLL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCO[P@@](=O)([O-])O)C(=O)[O-])cc3)cnc2n1	ZINC000028763651	563078516	/nfs/dbraw/zinc/07/85/16/563078516.db2.gz	OFDRKIQYYPSMTJ-GFCCVEGCSA-N	-2	2	492.389	-0.121	1	0		JBAFLL
Nc1nc2c([nH]c(=S)n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)C[C@H]2O)c(=O)[nH]1	ZINC000040688895	563147484	/nfs/dbraw/zinc/14/74/84/563147484.db2.gz	VFWJITFYRQZUQC-JJXKXHSHSA-N	-2	2	459.270	-0.723	1	0		JBAFLL
Nc1nc2c([nH]c(=S)n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)C[C@H]2O)c(=O)[nH]1	ZINC000040688895	563147483	/nfs/dbraw/zinc/14/74/83/563147483.db2.gz	VFWJITFYRQZUQC-JJXKXHSHSA-N	-2	2	459.270	-0.723	1	0		JBAFLL
O=P([O-])(O)C(O)(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)[P@](=O)([O-])O	ZINC000049115993	563202870	/nfs/dbraw/zinc/20/28/70/563202870.db2.gz	WDZVZCQRPQEIFO-UHFFFAOYSA-N	-2	2	488.304	-0.309	1	0		JBAFLL
O=P([O-])(O)C(O)(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)[P@@](=O)([O-])O	ZINC000049115993	563202869	/nfs/dbraw/zinc/20/28/69/563202869.db2.gz	WDZVZCQRPQEIFO-UHFFFAOYSA-N	-2	2	488.304	-0.309	1	0		JBAFLL
O=C([O-])[C@H]1O[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O	ZINC000100771836	574418549	/nfs/dbraw/zinc/41/85/49/574418549.db2.gz	FNTJVYCFNVUBOL-PMVWNFGZSA-N	-4	2	462.363	-0.152	1	0	endogenous,in-man	JBAFLL
O=C([O-])[C@H]1O[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000100771838	574418541	/nfs/dbraw/zinc/41/85/41/574418541.db2.gz	FNTJVYCFNVUBOL-WOURKRMRSA-N	-4	2	462.363	-0.152	1	0	endogenous,in-man	JBAFLL
O=C([O-])[C@H]1O[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000100771839	574418545	/nfs/dbraw/zinc/41/85/45/574418545.db2.gz	FNTJVYCFNVUBOL-OIXZNJMXSA-N	-4	2	462.363	-0.152	1	0	endogenous,in-man	JBAFLL