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-])CCCN1C(=O)[C@H]2[C@@H](C1=O)C1C=CC2[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21	ZINC000003158666	557451972	/nfs/dbraw/zinc/45/19/72/557451972.db2.gz	PUDPXQXEZKWFOQ-WNMVIFLXSA-N	-2	0	418.402	-0.266	1	0		HBAFRL
O=C([O-])CCCN1C(=O)[C@H]2[C@H](C1=O)C1C=CC2[C@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21	ZINC000004017490	557505259	/nfs/dbraw/zinc/50/52/59/557505259.db2.gz	PUDPXQXEZKWFOQ-RWGHVPIRSA-N	-2	0	418.402	-0.266	1	0		HBAFRL
O=C([O-])CCCN1C(=O)[C@H]2[C@H](C1=O)C1C=CC2[C@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@H]21	ZINC000004017491	557505400	/nfs/dbraw/zinc/50/54/00/557505400.db2.gz	PUDPXQXEZKWFOQ-IPVLUCLASA-N	-2	0	418.402	-0.266	1	0		HBAFRL
O=C([O-])CCCN1C(=O)[C@H]2[C@H](C1=O)C1C=CC2[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@H]21	ZINC000004017493	557505393	/nfs/dbraw/zinc/50/53/93/557505393.db2.gz	PUDPXQXEZKWFOQ-JLLUYKSFSA-N	-2	0	418.402	-0.266	1	0		HBAFRL
CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@H](C(C)(C)OS(=O)(=O)[O-])[C@H]2C1	ZINC000006406219	560205751	/nfs/dbraw/zinc/20/57/51/560205751.db2.gz	GOODEIVATWULQD-WWRWMZKOSA-N	-2	0	422.437	-0.533	1	0	in-vitro	HBAFRL
CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)[O-])[C@@H]2C1	ZINC000013383677	560216029	/nfs/dbraw/zinc/21/60/29/560216029.db2.gz	GOODEIVATWULQD-ZBQWPQPJSA-N	-2	0	422.437	-0.533	1	0	in-vitro	HBAFRL
CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)[O-])[C@H]2C1	ZINC000013383679	560216021	/nfs/dbraw/zinc/21/60/21/560216021.db2.gz	GOODEIVATWULQD-RRNKEUGFSA-N	-2	0	422.437	-0.533	1	0	in-vitro	HBAFRL
CC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)([O-])[O-]	ZINC000013522304	560218372	/nfs/dbraw/zinc/21/83/72/560218372.db2.gz	AJFWMDFTVVFMHY-LLVKDONJSA-N	-2	0	400.390	-0.615	1	0	in-vitro	HBAFRL
Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O1	ZINC000013538463	560218989	/nfs/dbraw/zinc/21/89/89/560218989.db2.gz	GOZKRKUVKAXOEP-RRKCRQDMSA-N	-4	0	411.204	-0.717	1	0	in-vitro	HBAFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[P@](=O)([O-])O[C@H]21	ZINC000013776853	560220421	/nfs/dbraw/zinc/22/04/21/560220421.db2.gz	HJMBCNJTGVMDOA-KQYNXXCUSA-N	-3	0	409.188	-0.700	1	0	in-vitro	HBAFRL
CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@H](C(C)(C)OS(=O)(=O)[O-])[C@@H]2C1	ZINC000014920447	560227409	/nfs/dbraw/zinc/22/74/09/560227409.db2.gz	GOODEIVATWULQD-QPBTZWJUSA-N	-2	0	422.437	-0.533	1	0	in-vitro	HBAFRL
O=c1[n-]c(=S)n([C@H]2C[C@@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000027180910	581098104	/nfs/dbraw/zinc/09/81/04/581098104.db2.gz	SZYXANXNBGQKHE-FSDSQADBSA-N	-5	0	422.220	-0.080	1	0		HBAFRL
O=c1[n-]c(=S)n([C@@H]2C[C@@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000027180917	581098146	/nfs/dbraw/zinc/09/81/46/581098146.db2.gz	SZYXANXNBGQKHE-QYNIQEEDSA-N	-5	0	422.220	-0.080	1	0		HBAFRL
COc1cc(/C=C/C(=O)[O-])cc(OC)c1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000070455202	291166223	/nfs/dbraw/zinc/16/62/23/291166223.db2.gz	SVMPWPWAQOHKHG-OGUZRXNMSA-N	-2	0	400.336	-0.927	1	0	biogenic,in-vitro	HBAFRL