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(NCCNC(=O)c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000001608075	555705632	/nfs/dbraw/zinc/70/56/32/555705632.db2.gz	SQXZPQQDNPXFBI-UHFFFAOYSA-N	-1	2	438.094	3.871	40	0		IHABLM
C/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)O[P@@](=O)([O-])O	ZINC000255995162	568662914	/nfs/dbraw/zinc/66/29/14/568662914.db2.gz	PQNNIEWMPIULRS-HHEIGYNNSA-N	-1	2	428.462	3.684	40	0		IHABLM
C/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)O[P@](=O)([O-])O	ZINC000255995162	568662917	/nfs/dbraw/zinc/66/29/17/568662917.db2.gz	PQNNIEWMPIULRS-HHEIGYNNSA-N	-1	2	428.462	3.684	40	0		IHABLM
C/C=C/C=C\C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)O[P@@](=O)([O-])O	ZINC000137180354	568739508	/nfs/dbraw/zinc/73/95/08/568739508.db2.gz	PQNNIEWMPIULRS-PZIWEVEYSA-N	-1	2	428.462	3.684	40	0	in-vitro	IHABLM
C/C=C/C=C\C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)O[P@](=O)([O-])O	ZINC000137180354	568739509	/nfs/dbraw/zinc/73/95/09/568739509.db2.gz	PQNNIEWMPIULRS-PZIWEVEYSA-N	-1	2	428.462	3.684	40	0	in-vitro	IHABLM
CCc1nc(SC(=Cc2cc(Br)c(O)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408633425	556007896	/nfs/dbraw/zinc/00/78/96/556007896.db2.gz	YIRMAAQMXOATFE-UITAMQMPSA-N	-1	2	449.124	3.816	40	0		IHABLM
N=C1SC(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C(O)=C1c1nccs1	ZINC000136682298	556722718	/nfs/dbraw/zinc/72/27/18/556722718.db2.gz	RAVCCFOGQXKTRC-OKQAUTAXSA-N	-1	2	439.312	3.787	40	0		IHABLM
Cc1nnc(S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)[O-])o1	ZINC000408632848	556004973	/nfs/dbraw/zinc/00/49/73/556004973.db2.gz	UEWUPKDDINUZCQ-WTKPLQERSA-N	-1	2	436.081	3.826	40	0		IHABLM
Cn1[n-]c(-c2ccccc2)c(C(c2cccs2)c2c(=O)n(C)[nH]c2-c2ccccc2)c1=O	ZINC000016188957	556588464	/nfs/dbraw/zinc/58/84/64/556588464.db2.gz	UDLKONKPYGNEJY-SEJPIABJSA-N	-1	2	442.544	3.817	40	0		IHABLM
Cn1[n-]c(-c2ccccc2)c(C(c2cccs2)c2c(=O)n(C)[nH]c2-c2ccccc2)c1=O	ZINC000100950226	557279716	/nfs/dbraw/zinc/27/97/16/557279716.db2.gz	UDLKONKPYGNEJY-NHCUHLMSSA-N	-1	2	442.544	3.817	40	0		IHABLM
C/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)O[P@@](=O)([O-])O	ZINC000255995165	568662900	/nfs/dbraw/zinc/66/29/00/568662900.db2.gz	PQNNIEWMPIULRS-ZSXAZUPTSA-N	-1	2	428.462	3.684	40	0		IHABLM
C/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)O[P@](=O)([O-])O	ZINC000255995165	568662903	/nfs/dbraw/zinc/66/29/03/568662903.db2.gz	PQNNIEWMPIULRS-ZSXAZUPTSA-N	-1	2	428.462	3.684	40	0		IHABLM
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O[P@@](=O)([O-])O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118917732	557076277	/nfs/dbraw/zinc/07/62/77/557076277.db2.gz	FKBKGSILHZSWAK-HQURQYGRSA-N	-1	2	426.490	3.993	40	0		IHABLM
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O[P@](=O)([O-])O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118917732	557076282	/nfs/dbraw/zinc/07/62/82/557076282.db2.gz	FKBKGSILHZSWAK-HQURQYGRSA-N	-1	2	426.490	3.993	40	0		IHABLM
C/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@H]1C)O[P@@](=O)([O-])O	ZINC000255995164	568662862	/nfs/dbraw/zinc/66/28/62/568662862.db2.gz	PQNNIEWMPIULRS-NZMDBXKESA-N	-1	2	428.462	3.684	40	0		IHABLM
C/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@H]1C)O[P@](=O)([O-])O	ZINC000255995164	568662865	/nfs/dbraw/zinc/66/28/65/568662865.db2.gz	PQNNIEWMPIULRS-NZMDBXKESA-N	-1	2	428.462	3.684	40	0		IHABLM
Cc1nnc(SC(=Cc2cc(Br)c(O)c(Br)c2)C(=O)[O-])[nH]1	ZINC000409190848	556991459	/nfs/dbraw/zinc/99/14/59/556991459.db2.gz	RGZCZHXKDLDZRL-WTKPLQERSA-N	-1	2	435.097	3.562	40	0		IHABLM
Cc1n[nH]c(SC(=Cc2cc(Br)c(O)c(Br)c2)C(=O)[O-])n1	ZINC000409190848	556991463	/nfs/dbraw/zinc/99/14/63/556991463.db2.gz	RGZCZHXKDLDZRL-WTKPLQERSA-N	-1	2	435.097	3.562	40	0		IHABLM
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O[P@@](=O)([O-])O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118917731	557076246	/nfs/dbraw/zinc/07/62/46/557076246.db2.gz	FKBKGSILHZSWAK-JQFZSLNCSA-N	-1	2	426.490	3.993	40	0		IHABLM
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O[P@](=O)([O-])O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118917731	557076249	/nfs/dbraw/zinc/07/62/49/557076249.db2.gz	FKBKGSILHZSWAK-JQFZSLNCSA-N	-1	2	426.490	3.993	40	0		IHABLM
Cn1[n-]c(-c2ccccc2)c(C(c2cccs2)c2c(=O)n(C)[nH]c2-c2ccccc2)c1=O	ZINC000018208964	556686890	/nfs/dbraw/zinc/68/68/90/556686890.db2.gz	UDLKONKPYGNEJY-SFTDATJTSA-N	-1	2	442.544	3.817	40	0		IHABLM
CCOc1ccc(NS(=O)(=O)c2cccs2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000011615795	557212049	/nfs/dbraw/zinc/21/20/49/557212049.db2.gz	HUXKDQKYQMTBHP-UHFFFAOYSA-N	-1	2	444.581	3.810	40	0		IHABLM
C/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@H]1C)O[P@@](=O)([O-])O	ZINC000255995163	568662885	/nfs/dbraw/zinc/66/28/85/568662885.db2.gz	PQNNIEWMPIULRS-HWNOVOTFSA-N	-1	2	428.462	3.684	40	0		IHABLM
C/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@H]1C)O[P@](=O)([O-])O	ZINC000255995163	568662888	/nfs/dbraw/zinc/66/28/88/568662888.db2.gz	PQNNIEWMPIULRS-HWNOVOTFSA-N	-1	2	428.462	3.684	40	0		IHABLM