smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1NC(=O)c1cc2ccccc2cc1O[P@@](=O)([O-])O	ZINC000002584382	204044930	/nfs/dbraw/zinc/04/49/30/204044930.db2.gz	NQMNDWPDYBPJNO-UHFFFAOYSA-N	-1	2	357.302	3.872	40	0		FHABLM
Cc1ccccc1NC(=O)c1cc2ccccc2cc1O[P@](=O)([O-])O	ZINC000002584382	204044935	/nfs/dbraw/zinc/04/49/35/204044935.db2.gz	NQMNDWPDYBPJNO-UHFFFAOYSA-N	-1	2	357.302	3.872	40	0		FHABLM
O=C(c1ccc([O-])c(Br)c1)c1cc(Br)ccc1O	ZINC000001680358	204016153	/nfs/dbraw/zinc/01/61/53/204016153.db2.gz	PBKFCHWMYIGUBO-UHFFFAOYSA-N	-1	2	372.012	3.854	40	0		FHABLM
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@@](=O)([O-])O	ZINC000002083221	560186469	/nfs/dbraw/zinc/18/64/69/560186469.db2.gz	BBWXLCKRYRQQPL-KFGODFMUSA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@](=O)([O-])O	ZINC000002083221	560186470	/nfs/dbraw/zinc/18/64/70/560186470.db2.gz	BBWXLCKRYRQQPL-KFGODFMUSA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000223368057	209191837	/nfs/dbraw/zinc/19/18/37/209191837.db2.gz	XUAOKCJIVHOLRE-UHFFFAOYSA-N	-1	2	364.181	3.632	40	0		FHABLM
Cc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c([S-])cc1Cl	ZINC000027314129	571011667	/nfs/dbraw/zinc/01/16/67/571011667.db2.gz	PJORYKXENKUDFV-UHFFFAOYSA-N	-1	2	353.856	3.614	40	0		FHABLM
Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2	ZINC000102952168	209244545	/nfs/dbraw/zinc/24/45/45/209244545.db2.gz	LMCSVSQTNVAJGH-CQSZACIVSA-N	-1	2	350.809	3.604	40	0		FHABLM
O=C(c1ccc([O-])c(Br)c1)c1ccc(O)c(Br)c1	ZINC000004404377	207018389	/nfs/dbraw/zinc/01/83/89/207018389.db2.gz	AASBDOJNAWKWHT-UHFFFAOYSA-N	-1	2	372.012	3.854	40	0		FHABLM
C[C@]12CC[C@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000006519453	207144275	/nfs/dbraw/zinc/14/42/75/207144275.db2.gz	XYNRXDLLYXFCRS-OVWQWFNUSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
C[C@]12CC[C@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000006519453	207144278	/nfs/dbraw/zinc/14/42/78/207144278.db2.gz	XYNRXDLLYXFCRS-OVWQWFNUSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
C[C@@]12CC[C@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000002046805	560186365	/nfs/dbraw/zinc/18/63/65/560186365.db2.gz	XYNRXDLLYXFCRS-NBOOPKSLSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
C[C@@]12CC[C@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000002046805	560186367	/nfs/dbraw/zinc/18/63/67/560186367.db2.gz	XYNRXDLLYXFCRS-NBOOPKSLSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
CC(C)(CC(=O)[O-])c1cc(Br)c(O)c(Br)c1	ZINC000085398515	570537617	/nfs/dbraw/zinc/53/76/17/570537617.db2.gz	DCUHVDDMJYCXLX-UHFFFAOYSA-N	-1	2	352.022	3.670	40	0		FHABLM
C[C@@]12CC[C@@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000006491314	560205959	/nfs/dbraw/zinc/20/59/59/560205959.db2.gz	XYNRXDLLYXFCRS-MUQADHOPSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
C[C@@]12CC[C@@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000006491314	560205960	/nfs/dbraw/zinc/20/59/60/560205960.db2.gz	XYNRXDLLYXFCRS-MUQADHOPSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
COc1ccc(-c2[nH]nc(C)c2-c2cccc3c2OCCCO3)c(O)c1	ZINC000005640359	570632164	/nfs/dbraw/zinc/63/21/64/570632164.db2.gz	JUDBIMCGLUZBJL-UHFFFAOYSA-N	-1	2	352.390	3.928	40	0		FHABLM
O=C([O-])C(Cc1ccc2c(c1)CCC2)(Cc1ccc2c(c1)CCC2)C(=O)O	ZINC000001645328	210363968	/nfs/dbraw/zinc/36/39/68/210363968.db2.gz	CTDGBRNHJQUFAI-UHFFFAOYSA-N	-1	2	364.441	3.605	40	0		FHABLM
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@@](=O)([O-])O	ZINC000004027588	560193266	/nfs/dbraw/zinc/19/32/66/560193266.db2.gz	BBWXLCKRYRQQPL-FPSMNIFISA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@](=O)([O-])O	ZINC000004027588	560193267	/nfs/dbraw/zinc/19/32/67/560193267.db2.gz	BBWXLCKRYRQQPL-FPSMNIFISA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1	ZINC000223368139	222776680	/nfs/dbraw/zinc/77/66/80/222776680.db2.gz	LOUQVVCUBMSGCR-UHFFFAOYSA-N	-1	2	364.181	3.632	40	0		FHABLM
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@@](=O)([O-])O	ZINC000004027589	560193227	/nfs/dbraw/zinc/19/32/27/560193227.db2.gz	BBWXLCKRYRQQPL-ATIWLJMLSA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@](=O)([O-])O	ZINC000004027589	560193228	/nfs/dbraw/zinc/19/32/28/560193228.db2.gz	BBWXLCKRYRQQPL-ATIWLJMLSA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM
COc1ccccc1NC(=O)c1cc2ccccc2cc1O[P@@](=O)([O-])O	ZINC000002584381	571139863	/nfs/dbraw/zinc/13/98/63/571139863.db2.gz	OQFPBLDHWBQYNM-UHFFFAOYSA-N	-1	2	373.301	3.572	40	0		FHABLM
COc1ccccc1NC(=O)c1cc2ccccc2cc1O[P@](=O)([O-])O	ZINC000002584381	571139864	/nfs/dbraw/zinc/13/98/64/571139864.db2.gz	OQFPBLDHWBQYNM-UHFFFAOYSA-N	-1	2	373.301	3.572	40	0		FHABLM
C[C@]12CC[C@@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000006500102	560205956	/nfs/dbraw/zinc/20/59/56/560205956.db2.gz	XYNRXDLLYXFCRS-CVYDXHPNSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
C[C@]12CC[C@@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000006500102	560205957	/nfs/dbraw/zinc/20/59/57/560205957.db2.gz	XYNRXDLLYXFCRS-CVYDXHPNSA-N	-1	2	350.351	3.583	40	0	in-vitro	FHABLM
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@@](=O)([O-])O	ZINC000002083224	560186479	/nfs/dbraw/zinc/18/64/79/560186479.db2.gz	BBWXLCKRYRQQPL-RSJGLCBASA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[P@](=O)([O-])O	ZINC000002083224	560186480	/nfs/dbraw/zinc/18/64/80/560186480.db2.gz	BBWXLCKRYRQQPL-RSJGLCBASA-N	-1	2	352.367	3.726	40	0	in-vitro	FHABLM