smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1[N+](=O)[O-]	ZINC000008974221	562966431	/nfs/dbraw/zinc/96/64/31/562966431.db2.gz	NYMGZFXBDHNNOY-UHFFFAOYSA-N	-2	1	448.478	3.740	50	10		IHCAML
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1[O-]	ZINC000016671365	556621653	/nfs/dbraw/zinc/62/16/53/556621653.db2.gz	BJFPVIQMILTMKO-SDQBBNPISA-N	-2	1	428.069	3.923	50	10		IHCAML
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Cl)c2)C1=O	ZINC000001179129	132238618	/nfs/dbraw/zinc/23/86/18/132238618.db2.gz	CWIPKUZPYAQDJU-KPKJPENVSA-N	-2	1	435.661	3.783	50	10		IHCAML
CCOc1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000000645680	557124501	/nfs/dbraw/zinc/12/45/01/557124501.db2.gz	SGGQBTHMXMJMPS-UHFFFAOYSA-N	-2	1	433.507	3.922	50	10		IHCAML
Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000002503802	569406069	/nfs/dbraw/zinc/40/60/69/569406069.db2.gz	FKKUDFSUZXCLJK-UHFFFAOYSA-N	-2	1	437.926	3.988	50	10		IHCAML
CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000016212370	556590931	/nfs/dbraw/zinc/59/09/31/556590931.db2.gz	PDLQNOSFLBDVDO-RIYZIHGNSA-N	-2	1	430.869	3.714	50	10		IHCAML
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccs1	ZINC000012525864	527250684	/nfs/dbraw/zinc/25/06/84/527250684.db2.gz	MRWRUUZNPKTCPK-UHFFFAOYSA-N	-2	1	430.479	3.628	50	10		IHCAML
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)o1	ZINC000009730793	569564519	/nfs/dbraw/zinc/56/45/19/569564519.db2.gz	FNZKESUWXSDPCX-ZROIWOOFSA-N	-2	1	449.560	3.693	50	10		IHCAML
COc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1	ZINC000015986386	556571219	/nfs/dbraw/zinc/57/12/19/556571219.db2.gz	AOLKNRLBWWDPIN-UHFFFAOYSA-N	-2	1	428.495	3.624	50	10		IHCAML
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000003620721	568751840	/nfs/dbraw/zinc/75/18/40/568751840.db2.gz	YETDNWSMKXUKDP-UHFFFAOYSA-N	-2	1	437.926	3.988	50	10		IHCAML
CC(=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100423091	557402524	/nfs/dbraw/zinc/40/25/24/557402524.db2.gz	ACDGIFVVMOEASV-JWGURIENSA-N	-2	1	447.520	3.991	50	10		IHCAML
Cc1ccc(S(=O)(=O)N2CCN(Cc3c([O-])c(Cl)cc(Cl)c3[O-])CC2)cc1C	ZINC000012750837	525543685	/nfs/dbraw/zinc/54/36/85/525543685.db2.gz	GKZCIQXUZXTIBR-UHFFFAOYSA-N	-2	1	445.368	3.528	50	10		IHCAML
COc1ccc(S(=O)(=O)[N-]c2cc(Br)c([O-])c(Br)c2)cc1	ZINC000001234502	568760574	/nfs/dbraw/zinc/76/05/74/568760574.db2.gz	XDCJSIWJWHJMNY-UHFFFAOYSA-N	-2	1	437.109	3.727	50	10		IHCAML
Cc1cc([O-])c(Sc2nc[nH]n2)cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000009289597	569519574	/nfs/dbraw/zinc/51/95/74/569519574.db2.gz	IYYVMOKWCLODKH-UHFFFAOYSA-N	-2	1	441.332	3.533	50	10		IHCAML