smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Cl)cc(Cl)c2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000012402065	525231969	/nfs/dbraw/zinc/23/19/69/525231969.db2.gz	WBWVRQXTMKZDIX-YYQBIWNASA-N	-1	0	435.263	2.992	2	10		IFCFRM
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc([N+](=O)[O-])c4cccnc4c3[O-])CC2)cc1	ZINC000045352798	563132345	/nfs/dbraw/zinc/13/23/45/563132345.db2.gz	QMCZMSFBUZEHAX-UHFFFAOYSA-N	-1	0	442.497	2.664	1	10		IFCFRM
CS(=O)(=O)Cc1c(Br)c(O)c([O-])c(Br)c1Br	ZINC000028707383	563062071	/nfs/dbraw/zinc/06/20/71/563062071.db2.gz	UQYHDNQXPJKICE-UHFFFAOYSA-N	-1	0	438.919	2.930	1	10		IFCFRM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Cl)cc(Cl)c2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000012402066	525819432	/nfs/dbraw/zinc/81/94/32/525819432.db2.gz	WBWVRQXTMKZDIX-VPCSNGCSSA-N	-1	0	435.263	2.992	2	10		IFCFRM
COc1ccc(N2CCN(CCn3c([O-])nc4cc(-c5ccccc5)[nH]c4c3=O)CC2)cc1	ZINC000013641883	562998453	/nfs/dbraw/zinc/99/84/53/562998453.db2.gz	ZKPMOYKVGPZQTL-UHFFFAOYSA-N	-1	0	445.523	2.928	1	10		IFCFRM
COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1cc([O-])c(O)cc1C3=O	ZINC000095564840	563183150	/nfs/dbraw/zinc/18/31/50/563183150.db2.gz	RILQUXKJUULSIQ-UHFFFAOYSA-N	-1	0	447.447	2.928	1	10		IFCFRM
Nc1c(S(=O)(=O)[O-])cc(Nc2cccc([N+](=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O	ZINC000029130780	563075608	/nfs/dbraw/zinc/07/56/08/563075608.db2.gz	BFYKRGJJESUQPP-UHFFFAOYSA-N	-1	0	439.405	2.943	1	10		IFCFRM
Nc1ccc(C(=O)Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)c(O)c2)cc1O	ZINC000073223489	563170851	/nfs/dbraw/zinc/17/08/51/563170851.db2.gz	NUXVWECZIODHRU-UHFFFAOYSA-N	-1	0	437.360	2.789	1	10		IFCFRM
Nc1cc(C(=O)Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)c(O)c2)ccc1O	ZINC000073240849	563171330	/nfs/dbraw/zinc/17/13/30/563171330.db2.gz	HKABVAZPZRSPQV-UHFFFAOYSA-N	-1	0	437.360	2.789	1	10		IFCFRM
Cc1c(O)c([O-])c2c(c1S(=O)(=O)N(C)C)CN(Cc1ccc(F)c(Cl)c1)C2=O	ZINC000095559908	563182055	/nfs/dbraw/zinc/18/20/55/563182055.db2.gz	OBQLMVKKIGHQHY-UHFFFAOYSA-N	-1	0	428.869	2.605	1	10		IFCFRM
O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21)N1CCOCC1	ZINC000038309681	563097402	/nfs/dbraw/zinc/09/74/02/563097402.db2.gz	ITBRDITYQFYITL-UHFFFAOYSA-N	-1	0	438.918	2.618	1	10		IFCFRM