smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc(Cl)ccc1O	ZINC000100148663	557335439	/nfs/dbraw/zinc/33/54/39/557335439.db2.gz	OGAVFBWFZPSFGJ-YRNVUSSQSA-N	-2	0	431.106	5.724	50	10		IKCARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc(-c3cccs3)c(-c3cccs3)s2)c1	ZINC000096753155	569402345	/nfs/dbraw/zinc/40/23/45/569402345.db2.gz	YZTQFTIYYYNBKH-UHFFFAOYSA-N	-2	0	448.572	5.099	50	10		IKCARL
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3[O-])C(=O)[N-]C2=S)cc1	ZINC000009295831	536021903	/nfs/dbraw/zinc/02/19/03/536021903.db2.gz	ZIQIAFZHIZZHMR-UJFYRASASA-N	-2	0	449.359	5.044	50	10		IKCARL
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3[O-])C(=O)[N-]C2=S)cc1	ZINC000009295830	132312983	/nfs/dbraw/zinc/31/29/83/132312983.db2.gz	ZIQIAFZHIZZHMR-LKBVRNOZSA-N	-2	0	449.359	5.044	50	10		IKCARL
Cc1ccc(S(=O)(=O)[N-]c2c3oc4c(c3c([O-])c3ccccc32)C(=O)CC(C)(C)C4)cc1	ZINC000000948875	555588482	/nfs/dbraw/zinc/58/84/82/555588482.db2.gz	KWARETICDNUJQX-UHFFFAOYSA-N	-2	0	449.528	5.556	50	10		IKCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1Cl	ZINC000009353975	132314233	/nfs/dbraw/zinc/31/42/33/132314233.db2.gz	PIDIMKIDGYLAFM-WCIBSUBMSA-N	-2	0	425.655	5.168	50	10		IKCARL
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N/c1ccc(Cl)cc1C(F)(F)F	ZINC000038609739	569588087	/nfs/dbraw/zinc/58/80/87/569588087.db2.gz	QUNVBZBEOIMRIE-WCWDXBQESA-N	-2	0	445.806	5.462	50	10		IKCARL
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C	ZINC000100148517	557335461	/nfs/dbraw/zinc/33/54/61/557335461.db2.gz	PZQHVCHJQQWLOY-MDWZMJQESA-N	-2	0	438.698	5.372	50	10		IKCARL
Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc3c2O)cc1	ZINC000006142734	568845359	/nfs/dbraw/zinc/84/53/59/568845359.db2.gz	NEVBVXINQDYYEK-UHFFFAOYSA-N	-2	0	435.570	6.114	50	10		IKCARL