smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)s3)C(=O)[N-]C2=S)cc1Cl	ZINC000020395305	557013339	/nfs/dbraw/zinc/01/33/39/557013339.db2.gz	FHVWDDOBSWYFQI-XFFZJAGNSA-N	-1	0	441.759	5.144	10	10		IKCERM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000039984772	563099282	/nfs/dbraw/zinc/09/92/82/563099282.db2.gz	QQLQLMZZXTVYSS-ATDKOCKZSA-N	-1	0	442.345	5.318	10	10		IKCERM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000039984771	563099312	/nfs/dbraw/zinc/09/93/12/563099312.db2.gz	QQLQLMZZXTVYSS-PBTLCFMXSA-N	-1	0	442.345	5.318	10	10		IKCERM
CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1Cl	ZINC000033396900	520849776	/nfs/dbraw/zinc/84/97/76/520849776.db2.gz	RBIYRYBRJICDNU-ZSOIEALJSA-N	-1	0	449.688	5.008	10	10		IKCERM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)c1	ZINC000033316940	521381920	/nfs/dbraw/zinc/38/19/20/521381920.db2.gz	LFOMLPLJXLKJGX-ZHZULCJRSA-N	-1	0	435.867	5.036	10	10		IKCERM
Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)ccc2O)cc1	ZINC000248087850	569270402	/nfs/dbraw/zinc/27/04/02/569270402.db2.gz	LJDLCILDIXQLIR-REWPJTCUSA-N	-1	0	425.315	6.250	10	10		IKCERM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	ZINC000002209906	132248896	/nfs/dbraw/zinc/24/88/96/132248896.db2.gz	CBXHVXCYMKUYLC-HYARGMPZSA-N	-1	0	431.467	5.302	10	10		IKCERM
O=C([O-])c1ccc(/C=C2\SC(=S)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1	ZINC000040891809	563109911	/nfs/dbraw/zinc/10/99/11/563109911.db2.gz	PFHLLLPRUFKZMV-AUWJEWJLSA-N	-1	0	443.855	5.463	10	10		IKCERM
Cc1ccc(NN=c2c(=O)ccc(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000097943452	563200434	/nfs/dbraw/zinc/20/04/34/563200434.db2.gz	SQOXGXCYIDDLGW-MBALSZOMSA-N	-1	0	426.454	5.792	10	10	in-man	IKCERM
Cc1ccc(NN=c2c(=O)ccc(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000100048439	557238877	/nfs/dbraw/zinc/23/88/77/557238877.db2.gz	SQOXGXCYIDDLGW-MMUCEYJRSA-N	-1	0	426.454	5.792	10	10		IKCERM
Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)ccc2O)cc1	ZINC000248087843	569270422	/nfs/dbraw/zinc/27/04/22/569270422.db2.gz	LJDLCILDIXQLIR-OFNKIYASSA-N	-1	0	425.315	6.250	10	10		IKCERM
O=C([O-])CN1C(=O)/C(=C\c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)SC1=S	ZINC000028703334	563061667	/nfs/dbraw/zinc/06/16/67/563061667.db2.gz	RJQSWRYLNBYDTB-VIZOYTHASA-N	-1	0	440.329	5.072	10	10		IKCERM