smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-]	ZINC000311614407	673027600	/nfs/dbraw/zinc/02/76/00/673027600.db2.gz	GEVYPWSAFXWGHI-VIFPVBQESA-N	-2	3	368.636	2.410	10	30		FEEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-]	ZINC000311614405	673027197	/nfs/dbraw/zinc/02/71/97/673027197.db2.gz	GEVYPWSAFXWGHI-SECBINFHSA-N	-2	3	368.636	2.410	10	30		FEEEHL
CCOc1cc(C=Nn2c(=O)cn[n-]c2=S)cc(Br)c1[O-]	ZINC000103757394	222342669	/nfs/dbraw/zinc/34/26/69/222342669.db2.gz	GXKUOQIBJUYHMU-WCSRMQSCSA-N	-2	3	371.216	2.050	10	30		FEEEHL
O=C([O-])c1ccccc1Sc1ccc(/C=N/N2CC(=O)[N-]C2=O)s1	ZINC000006095214	204237545	/nfs/dbraw/zinc/23/75/45/204237545.db2.gz	IPNHTOGYBOOBER-FRKPEAEDSA-N	-2	3	361.404	2.483	10	30		FEEEHL
O=c1[n-][nH]c(=O)c2cccc(N=Cc3cc(Br)ccc3[O-])c12	ZINC000254863415	549702119	/nfs/dbraw/zinc/70/21/19/549702119.db2.gz	PPVKFFMSPUKRKF-UHFFFAOYSA-N	-2	3	360.167	2.435	10	30		FEEEHL
COc1cc(Br)cc(C=NNc2nc(C)cc(=O)[n-]2)c1[O-]	ZINC000103744108	209254689	/nfs/dbraw/zinc/25/46/89/209254689.db2.gz	PFBMLKAMYZTOMM-UUASQNMZSA-N	-2	3	353.176	2.001	10	30		FEEEHL
N#CCSc1nnc(NN=Cc2cc(Br)ccc2[O-])[n-]1	ZINC000254301449	549699269	/nfs/dbraw/zinc/69/92/69/549699269.db2.gz	MIEJCVDCTNJTGM-UHFFFAOYSA-N	-2	3	353.205	2.334	10	30		FEEEHL