smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@]12[C@H]3N[C@H]3CN1c1c(c([O-])c(/N=N/C(=O)c3cccs3)c(C)c1O)[C@H]2COC(N)=O	ZINC000053122858	563205004	/nfs/dbraw/zinc/20/50/04/563205004.db2.gz	NWCKXPDIJMYVSS-SAMVRTPHSA-N	-1	1	459.484	2.087	1	10		JECFMM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000019848377	525819253	/nfs/dbraw/zinc/81/92/53/525819253.db2.gz	URWVCMIOFGTMFO-GRXQJBFDSA-N	-1	1	459.296	2.444	2	10		JECFMM
CO[C@]12[C@H]3N[C@H]3CN1c1c(c([O-])c(/N=N/C(=O)c3ccccc3)c(C)c1O)[C@H]2COC(N)=O	ZINC000053267535	563205452	/nfs/dbraw/zinc/20/54/52/563205452.db2.gz	AIHJNUMHUZYQKU-QVZVDNSVSA-N	-1	1	453.455	2.026	1	10		JECFMM
CCc1cc(NCCO)c2c(O)c3c(c([O-])c2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000013366518	562962117	/nfs/dbraw/zinc/96/21/17/562962117.db2.gz	QZOYVKFIBGXGPC-UHFFFAOYSA-N	-1	1	451.431	2.485	1	10		JECFMM
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc([O-])c(O)c1	ZINC000015942294	563012528	/nfs/dbraw/zinc/01/25/28/563012528.db2.gz	MEYDUKGABNYNCY-UHFFFAOYSA-N	-1	1	455.330	2.050	3	10		JECFMM
Cc1[n-]n(C(=O)c2ccc(O)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000049757449	563203278	/nfs/dbraw/zinc/20/32/78/563203278.db2.gz	LOTBGJBJYRKOGT-PZPYUUCDSA-N	-1	1	479.478	2.494	1	10		JECFMM
Cc1[n-]n(C(=O)c2ccc(N)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000049757224	563203301	/nfs/dbraw/zinc/20/33/01/563203301.db2.gz	ZBPCENUYBCEVJE-IRCXXISZSA-N	-1	1	478.494	2.370	1	10		JECFMM
CO[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1Oc1cc(C)cc2cc3c(c([O-])c21)C(=O)c1c(O)cccc1C3=O	ZINC000049069070	563201029	/nfs/dbraw/zinc/20/10/29/563201029.db2.gz	DDAFXQZMYKLUIV-XEOGOGAXSA-N	-1	1	480.469	2.195	1	10	in-vitro	JECFMM