smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OP(=O)(N=C([O-])Nc1cc(Cl)cc(Cl)c1)OC(C)C	ZINC000002243751	204030539	/nfs/dbraw/zinc/03/05/39/204030539.db2.gz	KLOSTOLOACOAPI-UHFFFAOYSA-N	-1	1	369.185	5.073	10	0		FKAEMM
CC(C)OP(=O)([N-]C(=O)Nc1cc(Cl)cc(Cl)c1)OC(C)C	ZINC000002243751	204030536	/nfs/dbraw/zinc/03/05/36/204030536.db2.gz	KLOSTOLOACOAPI-UHFFFAOYSA-N	-1	1	369.185	5.073	10	0		FKAEMM
[O-]c1ccc(Br)c2ccc(/C=C/c3ccc(Cl)cc3)nc12	ZINC000004123413	204123940	/nfs/dbraw/zinc/12/39/40/204123940.db2.gz	ZHNKLVQZSOCTLS-ZZXKWVIFSA-N	-1	1	360.638	5.527	10	0		FKAEMM
CC(C)(C)Cc1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1	ZINC000006022813	204235285	/nfs/dbraw/zinc/23/52/85/204235285.db2.gz	JNMZGRFHQIXWTC-UHFFFAOYSA-N	-1	1	365.911	5.247	10	0		FKAEMM
CC(C)=CCc1c([O-])c(C(=O)c2ccccc2)c(O)c2c1OC(C)(C)C=C2	ZINC000014883284	210234540	/nfs/dbraw/zinc/23/45/40/210234540.db2.gz	SPMYLENUNIKPSS-UHFFFAOYSA-N	-1	1	364.441	5.022	10	0		FKAEMM
CCc1ccccc1-c1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1	ZINC000090415685	521802752	/nfs/dbraw/zinc/80/27/52/521802752.db2.gz	KWHATVLVJZBZTC-UHFFFAOYSA-N	-1	1	365.860	5.205	10	0		FKAEMM
O=C1[N-]C(=S)SC1=Cc1cccn1Cc1ccc(Cl)cc1Cl	ZINC000096507840	209154585	/nfs/dbraw/zinc/15/45/85/209154585.db2.gz	JUJAXUCTHXQFOA-NTUHNPAUSA-N	-1	1	369.298	5.172	10	0		FKAEMM
O=C(NCc1ccc(Cl)c(-c2ccccc2)c1)c1cc(Cl)ccc1[O-]	ZINC000201357664	206336253	/nfs/dbraw/zinc/33/62/53/206336253.db2.gz	BUTBCUQMVFQSIC-UHFFFAOYSA-N	-1	1	372.251	5.296	10	0		FKAEMM
CCCCc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1	ZINC000226861962	222887605	/nfs/dbraw/zinc/88/76/05/222887605.db2.gz	STUNJVMKMXXZGT-UHFFFAOYSA-N	-1	1	365.498	5.082	10	0		FKAEMM