smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1	ZINC000160348969	525544469	/nfs/dbraw/zinc/54/44/69/525544469.db2.gz	CIGXWJFLAGIZDR-UHFFFAOYSA-N	-1	0	310.444	3.550	20	70		DHIDRM
Cc1ccncc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1	ZINC000160410384	525765441	/nfs/dbraw/zinc/76/54/41/525765441.db2.gz	BEPHOVHBKYQDOW-UHFFFAOYSA-N	-1	0	310.444	3.550	20	70		DHIDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)nc1	ZINC000160351957	334872420	/nfs/dbraw/zinc/87/24/20/334872420.db2.gz	BLZJUGDEXIQSJT-UHFFFAOYSA-N	-1	0	310.444	3.550	20	70		DHIDRM
Cc1cc(F)cc(NC(=O)c2ccc(Br)c([O-])c2)c1	ZINC000160659922	338561418	/nfs/dbraw/zinc/56/14/18/338561418.db2.gz	JXXASROMYWYUKX-UHFFFAOYSA-N	-1	0	324.149	3.855	20	70		DHIDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1	ZINC000160351184	334872459	/nfs/dbraw/zinc/87/24/59/334872459.db2.gz	OERCZWMIRPLNKX-UHFFFAOYSA-N	-1	0	310.444	3.550	20	70		DHIDRM
CCOc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1F	ZINC000159694307	338530449	/nfs/dbraw/zinc/53/04/49/338530449.db2.gz	RLVICEOIAVVPAJ-UHFFFAOYSA-N	-1	0	309.724	3.836	20	70		DHIDRM
CCOc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1F	ZINC000159693564	338530537	/nfs/dbraw/zinc/53/05/37/338530537.db2.gz	HDFSUWJCJVKIRK-UHFFFAOYSA-N	-1	0	309.724	3.836	20	70		DHIDRM
Cc1cccc(Cl)c1[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000161058415	333792314	/nfs/dbraw/zinc/79/23/14/333792314.db2.gz	SWYMMBIFMQCOLI-UHFFFAOYSA-N	-1	0	317.744	3.727	20	70		DHIDRM
Cc1cc(S(=O)(=O)[N-]c2nccc3sccc32)sc1C	ZINC000160917879	525423071	/nfs/dbraw/zinc/42/30/71/525423071.db2.gz	RBBHYDDLISMJGK-UHFFFAOYSA-N	-1	0	324.452	3.775	20	70		DHIDRM
Cc1cnccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1	ZINC000160377759	526243211	/nfs/dbraw/zinc/24/32/11/526243211.db2.gz	PFRLWLKSUPQWCJ-UHFFFAOYSA-N	-1	0	310.444	3.550	20	70		DHIDRM
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc([O-])c(Cl)c1	ZINC000160969116	527057533	/nfs/dbraw/zinc/05/75/33/527057533.db2.gz	FVPBLZMGJUBBSN-ZDUSSCGKSA-N	-1	0	323.820	3.657	20	70		DHIDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)ccn1	ZINC000160377012	333527798	/nfs/dbraw/zinc/52/77/98/333527798.db2.gz	DYPQNFWVISYORH-UHFFFAOYSA-N	-1	0	310.444	3.550	20	70		DHIDRM
Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1	ZINC000217934090	340490915	/nfs/dbraw/zinc/49/09/15/340490915.db2.gz	MLMPXYDEFUQMRU-UHFFFAOYSA-N	-1	0	322.455	3.521	20	70		DHIDRM
CCC(=O)c1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000160734025	338563322	/nfs/dbraw/zinc/56/33/22/338563322.db2.gz	BDIBOQOZWGGQKA-UHFFFAOYSA-N	-1	0	303.745	3.891	20	70		DHIDRM
CC(C)c1csc(CNC(=O)c2ccc([O-])c(Cl)c2)n1	ZINC000160581663	519854521	/nfs/dbraw/zinc/85/45/21/519854521.db2.gz	MREZLZDOOOLQEF-UHFFFAOYSA-N	-1	0	310.806	3.556	20	70		DHIDRM
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc([O-])c(Cl)c1	ZINC000160968969	526935539	/nfs/dbraw/zinc/93/55/39/526935539.db2.gz	FVPBLZMGJUBBSN-CYBMUJFWSA-N	-1	0	323.820	3.657	20	70		DHIDRM