smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1	ZINC000028260767	202168491	/nfs/dbraw/zinc/16/84/91/202168491.db2.gz	JKHGKSUQSAXCTD-UHFFFAOYSA-N	-1	3	349.427	4.256	40	0		EIABHM
CCc1ccccc1NCc1cc(Br)c([O-])c(OC)c1	ZINC000019956349	212089930	/nfs/dbraw/zinc/08/99/30/212089930.db2.gz	KDQDVBNNLKARFG-UHFFFAOYSA-N	-1	3	336.229	4.338	40	0		EIABHM
Cc1cc([O-])c(C(=O)CSc2ccccc2)cc1Br	ZINC000001102002	563374489	/nfs/dbraw/zinc/37/44/89/563374489.db2.gz	LMNLISUTAAKBNR-UHFFFAOYSA-N	-1	3	337.238	4.438	40	0		EIABHM
[O-]C(Cc1ccc2ccccc2n1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000012942223	563678267	/nfs/dbraw/zinc/67/82/67/563678267.db2.gz	OQFVYBMVGOSBNB-UHFFFAOYSA-N	-1	3	342.119	4.172	40	0		EIABHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c(C)c1	ZINC000016098912	563803602	/nfs/dbraw/zinc/80/36/02/563803602.db2.gz	POEIWTGPAPHYTL-UHFFFAOYSA-N	-1	3	344.480	4.013	40	0		EIABHM
Cc1c(Cl)ccc(S(=O)(=O)[N-]C2CCCCCC2)c1Cl	ZINC000041095383	563924265	/nfs/dbraw/zinc/92/42/65/563924265.db2.gz	FKAIQTTTYQWOKE-UHFFFAOYSA-N	-1	3	336.284	4.303	40	0		EIABHM
O=C(CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1[O-]	ZINC000005615355	564032829	/nfs/dbraw/zinc/03/28/29/564032829.db2.gz	HYMKWJCEWDSXQU-UHFFFAOYSA-N	-1	3	334.400	4.397	40	0		EIABHM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(CC)c1	ZINC000223682976	564040597	/nfs/dbraw/zinc/04/05/97/564040597.db2.gz	FMKLGFRBNDRUJC-UHFFFAOYSA-N	-1	3	347.480	4.183	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(C)c1C	ZINC000224472843	564042980	/nfs/dbraw/zinc/04/29/80/564042980.db2.gz	ZIRQDXQMCZKICE-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
O=C([N-]C(=O)c1c(F)cccc1F)Nc1cc2ccccc2s1	ZINC000006864881	563589320	/nfs/dbraw/zinc/58/93/20/563589320.db2.gz	MBDKKDKOYBZLLR-UHFFFAOYSA-N	-1	3	332.331	4.141	40	0		EIABHM
COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl	ZINC000007428332	563602068	/nfs/dbraw/zinc/60/20/68/563602068.db2.gz	HKWPTOYSJBQQPZ-UHFFFAOYSA-N	-1	3	339.844	4.273	40	0		EIABHM
O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1F	ZINC000015612711	563788819	/nfs/dbraw/zinc/78/88/19/563788819.db2.gz	SWTJSMIURIZULW-UHFFFAOYSA-N	-1	3	333.775	4.250	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(C)C	ZINC000016780602	563823730	/nfs/dbraw/zinc/82/37/30/563823730.db2.gz	MWGKFOWYJRXVAU-UHFFFAOYSA-N	-1	3	337.416	4.149	40	0		EIABHM
COc1cccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c1[O-]	ZINC000408989811	564008678	/nfs/dbraw/zinc/00/86/78/564008678.db2.gz	MFXNJONNETYCLY-UHFFFAOYSA-N	-1	3	342.420	4.047	40	0		EIABHM
CCOc1cc(OCC)c2c(C)c(-c3ccc([O-])cc3)c(=O)oc2c1	ZINC000002573886	564151046	/nfs/dbraw/zinc/15/10/46/564151046.db2.gz	ZULHNBYCOFCJFJ-UHFFFAOYSA-N	-1	3	340.375	4.271	40	0		EIABHM
COc1cc(CNc2cc(C)ccc2C)cc(Br)c1[O-]	ZINC000019964573	212090095	/nfs/dbraw/zinc/09/00/95/212090095.db2.gz	FLWMVIXHGXVXBF-UHFFFAOYSA-N	-1	3	336.229	4.392	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1OC	ZINC000223679836	536157214	/nfs/dbraw/zinc/15/72/14/536157214.db2.gz	VKYKKDJRYIDGLY-UHFFFAOYSA-N	-1	3	339.844	4.020	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1Cl	ZINC000408585920	563485547	/nfs/dbraw/zinc/48/55/47/563485547.db2.gz	KXTICJYAPHQHDN-UHFFFAOYSA-N	-1	3	339.844	4.102	40	0		EIABHM
COc1ccc(-c2onc(C)c2-c2ccnn2-c2ccccc2)c([O-])c1	ZINC000016756728	563822872	/nfs/dbraw/zinc/82/28/72/563822872.db2.gz	VBPOXYJSBFCDGS-UHFFFAOYSA-N	-1	3	347.374	4.217	40	0		EIABHM
[O-]c1cccc(Br)c1-c1c(O)cccc1Br	ZINC000095486383	563976963	/nfs/dbraw/zinc/97/69/63/563976963.db2.gz	NDQOLNBADLRBOZ-UHFFFAOYSA-N	-1	3	344.002	4.290	40	0		EIABHM
O=C1Nc2ccccc2S/C1=C\c1cc(Br)ccc1[O-]	ZINC000409096678	564009846	/nfs/dbraw/zinc/00/98/46/564009846.db2.gz	GJRZOYVAPCDPNA-ZSOIEALJSA-N	-1	3	348.221	4.240	40	0		EIABHM
CCCSc1nnc([N-]C(=O)c2cc3cccc(OC)c3o2)s1	ZINC000224192485	564042046	/nfs/dbraw/zinc/04/20/46/564042046.db2.gz	XZKQWIDBBRFUOX-UHFFFAOYSA-N	-1	3	349.437	4.047	40	0		EIABHM
CCOc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1[O-]	ZINC000041005088	564049996	/nfs/dbraw/zinc/04/99/96/564049996.db2.gz	ONPVCOBJUMYAPJ-UHFFFAOYSA-N	-1	3	333.185	4.097	40	0		EIABHM
Cc1nsc(C)c1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1	ZINC000333064057	564053282	/nfs/dbraw/zinc/05/32/82/564053282.db2.gz	NQOKFYMXDHECRH-UHFFFAOYSA-N	-1	3	327.409	4.061	40	0		EIABHM
O=C(Nc1ccccc1[O-])c1ccc(COc2ccc(Cl)cc2)o1	ZINC000141011612	564128818	/nfs/dbraw/zinc/12/88/18/564128818.db2.gz	CEORIIWHCZBTBS-UHFFFAOYSA-N	-1	3	343.766	4.470	40	0		EIABHM
Cc1csc([C@H]2CCCCN2C(=O)c2cc([O-])ccc2Cl)n1	ZINC000331990123	1033083532	/nfs/dbraw/zinc/08/35/32/1033083532.db2.gz	USJDSLGPVFXTFO-CQSZACIVSA-N	-1	3	336.844	4.178	40	0		EIABHM
Cc1cc(S(=O)(=O)[N-]CC2=CCCCC2)c(Cl)cc1Cl	ZINC000036636277	202328012	/nfs/dbraw/zinc/32/80/12/202328012.db2.gz	TUMXWDQUGQHLEW-UHFFFAOYSA-N	-1	3	334.268	4.081	40	0		EIABHM
Cc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc32)c([O-])c1	ZINC000005542546	563538362	/nfs/dbraw/zinc/53/83/62/563538362.db2.gz	YWZKVCPNVHJOFH-UHFFFAOYSA-N	-1	3	328.371	4.067	40	0		EIABHM
Cc1cc2nc(C=C([O-])c3ccc4ccccc4c3)c(=O)[nH]c2cc1C	ZINC000008655350	563634290	/nfs/dbraw/zinc/63/42/90/563634290.db2.gz	GASGFNMGZBWGIZ-UHFFFAOYSA-N	-1	3	342.398	4.119	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C	ZINC000096659465	563980959	/nfs/dbraw/zinc/98/09/59/563980959.db2.gz	MXOYEPDFIQQPDU-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1	ZINC000007361252	564015548	/nfs/dbraw/zinc/01/55/48/564015548.db2.gz	IJUBUBIXECXJAA-UHFFFAOYSA-N	-1	3	333.453	4.182	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1OC	ZINC000223679609	564040603	/nfs/dbraw/zinc/04/06/03/564040603.db2.gz	VHXUDTOZDQCTOO-UHFFFAOYSA-N	-1	3	339.844	4.020	40	0		EIABHM
CCCCc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1	ZINC000224051632	564041539	/nfs/dbraw/zinc/04/15/39/564041539.db2.gz	DWPOBRDNXKWZAJ-UHFFFAOYSA-N	-1	3	347.480	4.455	40	0		EIABHM
CC(C)Sc1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1	ZINC000225861896	535121172	/nfs/dbraw/zinc/12/11/72/535121172.db2.gz	LLJCHHJTVDMIKM-UHFFFAOYSA-N	-1	3	331.825	4.083	40	0		EIABHM
COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Cl)c1[O-]	ZINC000409096105	564009857	/nfs/dbraw/zinc/00/98/57/564009857.db2.gz	JHQGSIVBAUIPIC-ZSOIEALJSA-N	-1	3	333.796	4.140	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(C)C	ZINC000007361122	564015495	/nfs/dbraw/zinc/01/54/95/564015495.db2.gz	YCAAQGGILLNJIV-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2c1	ZINC000225113776	564044958	/nfs/dbraw/zinc/04/49/58/564044958.db2.gz	BHPFSZWNAJJTME-UHFFFAOYSA-N	-1	3	347.823	4.303	40	0		EIABHM
O=C(NCCOc1ccc2oc3ccccc3c2c1)c1ccccc1[O-]	ZINC000059474420	564050753	/nfs/dbraw/zinc/05/07/53/564050753.db2.gz	RJVWEYACJAOXFQ-UHFFFAOYSA-N	-1	3	347.370	4.100	40	0		EIABHM
CCOc1ccc(Br)cc1-c1nc2ccccc2c(=O)[n-]1	ZINC000575410925	564078872	/nfs/dbraw/zinc/07/88/72/564078872.db2.gz	NCEJTTSOEWRJRF-UHFFFAOYSA-N	-1	3	345.196	4.164	40	0		EIABHM
Cc1nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1	ZINC000022255028	202082045	/nfs/dbraw/zinc/08/20/45/202082045.db2.gz	LPRNDLLOPINZCS-UHFFFAOYSA-N	-1	3	346.477	4.331	40	0		EIABHM
CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1[O-]	ZINC000076276214	202386913	/nfs/dbraw/zinc/38/69/13/202386913.db2.gz	WPKUZOSILHYIPQ-UHFFFAOYSA-N	-1	3	336.229	4.474	40	0		EIABHM
N[C@H](CC(=O)[O-])c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1	ZINC000044216753	201102706	/nfs/dbraw/zinc/10/27/06/201102706.db2.gz	WXSJGVHAZYJLRI-SNVBAGLBSA-N	-1	3	333.693	4.093	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)c1	ZINC000096659327	203896176	/nfs/dbraw/zinc/89/61/76/203896176.db2.gz	BLTZGQNOPNSYBV-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
CC(=C([O-])c1ccc(Cl)cc1)c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000013099541	563687661	/nfs/dbraw/zinc/68/76/61/563687661.db2.gz	QPJCMNLBPGOLEL-GFCCVEGCSA-N	-1	3	340.810	4.180	40	0	in-vitro	EIABHM
CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000054363227	563932876	/nfs/dbraw/zinc/93/28/76/563932876.db2.gz	AJSZYDUXNMQBJR-UHFFFAOYSA-N	-1	3	338.300	4.487	40	0		EIABHM
O=C([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1C(F)(F)F	ZINC000067173465	563962250	/nfs/dbraw/zinc/96/22/50/563962250.db2.gz	ZDPZJDZVNAEGBB-CVEARBPZSA-N	-1	3	349.352	4.006	40	0		EIABHM
CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1	ZINC000223659838	564040550	/nfs/dbraw/zinc/04/05/50/564040550.db2.gz	FEDUQYQPXAVVCJ-UHFFFAOYSA-N	-1	3	345.464	4.153	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(C)C	ZINC000225593595	564048140	/nfs/dbraw/zinc/04/81/40/564048140.db2.gz	DSNPWAVAQDCLSM-UHFFFAOYSA-N	-1	3	337.416	4.067	40	0		EIABHM
FC(F)(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)[n-]1	ZINC000216861043	241216463	/nfs/dbraw/zinc/21/64/63/241216463.db2.gz	YHCQJTSLEISGQZ-UHFFFAOYSA-N	-1	3	328.146	4.423	40	0		EIABHM
FC(F)(F)c1n[n-]c(SCc2ccc(Cl)c(Cl)c2)n1	ZINC000216861043	241216469	/nfs/dbraw/zinc/21/64/69/241216469.db2.gz	YHCQJTSLEISGQZ-UHFFFAOYSA-N	-1	3	328.146	4.423	40	0		EIABHM
FC(F)(F)c1nc(SCc2ccc(Cl)c(Cl)c2)n[n-]1	ZINC000216861043	241216476	/nfs/dbraw/zinc/21/64/76/241216476.db2.gz	YHCQJTSLEISGQZ-UHFFFAOYSA-N	-1	3	328.146	4.423	40	0		EIABHM
O=C1[N-]c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2C1=O	ZINC000016947341	563826568	/nfs/dbraw/zinc/82/65/68/563826568.db2.gz	IODHVLXQDPZRSA-UHFFFAOYSA-N	-1	3	329.355	4.067	40	0		EIABHM
O=S(=O)([N-]c1ccccc1F)c1ccc(Oc2ccccc2)cc1	ZINC000038755609	563921989	/nfs/dbraw/zinc/92/19/89/563921989.db2.gz	JRGAJDMKRGUBTL-UHFFFAOYSA-N	-1	3	343.379	4.419	40	0		EIABHM
CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1	ZINC000078404107	563970530	/nfs/dbraw/zinc/97/05/30/563970530.db2.gz	ZGNAPQOPULATBM-AWEZNQCLSA-N	-1	3	344.480	4.187	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C	ZINC000096659476	563981009	/nfs/dbraw/zinc/98/10/09/563981009.db2.gz	OQWDWIYKDBOISU-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(C)c1	ZINC000223657629	564040527	/nfs/dbraw/zinc/04/05/27/564040527.db2.gz	YSTIHWSBVMCEMA-UHFFFAOYSA-N	-1	3	345.464	4.208	40	0		EIABHM
COc1cccc2cc(C(=O)[N-]c3nnc(SC(C)C)s3)oc21	ZINC000224066966	564041567	/nfs/dbraw/zinc/04/15/67/564041567.db2.gz	NXSXFMRSTWKILY-UHFFFAOYSA-N	-1	3	349.437	4.046	40	0		EIABHM
CC(C)CSc1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1	ZINC000225007016	564044334	/nfs/dbraw/zinc/04/43/34/564044334.db2.gz	LUQYHWIZDKLLJK-UHFFFAOYSA-N	-1	3	345.852	4.331	40	0		EIABHM
Cc1ccccc1-n1c(COc2ccc(Cl)cc2)n[n-]c1=S	ZINC000040163724	564045762	/nfs/dbraw/zinc/04/57/62/564045762.db2.gz	HJALDNBVRZEHNO-UHFFFAOYSA-N	-1	3	331.828	4.097	40	0		EIABHM
O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1[O-]	ZINC000059474407	564050781	/nfs/dbraw/zinc/05/07/81/564050781.db2.gz	ZSCHGNUCIXERGO-UHFFFAOYSA-N	-1	3	331.415	4.344	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1Cl	ZINC000408587979	563486374	/nfs/dbraw/zinc/48/63/74/563486374.db2.gz	VKUYXHDDXPEYGB-UHFFFAOYSA-N	-1	3	339.844	4.102	40	0		EIABHM
Cc1nc(Nc2ccccc2)[n-]c(=O)c1Cc1ccc(Cl)cc1	ZINC000016843629	563824765	/nfs/dbraw/zinc/82/47/65/563824765.db2.gz	XXGWHENPFLHXQS-UHFFFAOYSA-N	-1	3	325.799	4.066	40	0		EIABHM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl	ZINC000096659761	563981030	/nfs/dbraw/zinc/98/10/30/563981030.db2.gz	HHMQPAXZHDXMLI-UHFFFAOYSA-N	-1	3	334.199	4.242	40	0		EIABHM
CCCSc1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1	ZINC000224195548	564042060	/nfs/dbraw/zinc/04/20/60/564042060.db2.gz	MNXPOAJNCTZRMN-UHFFFAOYSA-N	-1	3	331.825	4.085	40	0		EIABHM
CCc1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C	ZINC000224423359	564042674	/nfs/dbraw/zinc/04/26/74/564042674.db2.gz	QQLFKNRPAFZDCD-UHFFFAOYSA-N	-1	3	347.480	4.490	40	0		EIABHM
Cc1nc(-c2ccccc2C(=O)[O-])cc([C@@H]2CCCCN2C(C)C)n1	ZINC000257332492	564055593	/nfs/dbraw/zinc/05/55/93/564055593.db2.gz	XXNKJZQZECMLMX-IBGZPJMESA-N	-1	3	339.439	4.086	40	0		EIABHM
CCn1c(C)cc2cc(NC(=O)c3cc(-c4ccccn4)[n-]n3)ccc21	ZINC000012147239	211305768	/nfs/dbraw/zinc/30/57/68/211305768.db2.gz	FWNDEMJXGXRMKB-UHFFFAOYSA-N	-1	3	345.406	4.007	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1Cl	ZINC000408585318	563485418	/nfs/dbraw/zinc/48/54/18/563485418.db2.gz	DHPDHDVOBRYJAV-UHFFFAOYSA-N	-1	3	339.844	4.156	40	0		EIABHM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C	ZINC000096659353	563981001	/nfs/dbraw/zinc/98/10/01/563981001.db2.gz	BCXXYQVOFLNEEJ-UHFFFAOYSA-N	-1	3	347.480	4.238	40	0		EIABHM
O=C1[N-]C(=Cc2ccc(Cl)s2)C(=O)N1c1ccc(Cl)cc1	ZINC000409165895	564010709	/nfs/dbraw/zinc/01/07/09/564010709.db2.gz	ACBJTEVSCBQFMK-YRNVUSSQSA-N	-1	3	339.203	4.152	40	0		EIABHM
CCSc1nc2nc(-c3ccccc3[O-])cc(-c3ccccc3)n2n1	ZINC000020635866	212159013	/nfs/dbraw/zinc/15/90/13/212159013.db2.gz	SJKWSIHAZVYOGY-UHFFFAOYSA-N	-1	3	348.431	4.276	40	0		EIABHM
O=C(Nc1cccc(Cl)c1)c1c[n-]c2cc(Cl)ccc2c1=O	ZINC000005086244	210386929	/nfs/dbraw/zinc/38/69/29/210386929.db2.gz	PTGBQEWDVWZMBZ-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1cccc(Cl)c1)c1cnc2cc(Cl)ccc2c1[O-]	ZINC000005086244	210386935	/nfs/dbraw/zinc/38/69/35/210386935.db2.gz	PTGBQEWDVWZMBZ-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
Cc1cc(NC(=O)c2cccnc2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000004988459	210350775	/nfs/dbraw/zinc/35/07/75/210350775.db2.gz	ZUHUJMHYYSMEHW-UHFFFAOYSA-N	-1	3	345.358	4.156	40	0		EIABHM
COc1ccc(-c2nc(N)nc(-c3cc(C)ccc3[O-])c2Cl)cc1	ZINC000001616391	563396755	/nfs/dbraw/zinc/39/67/55/563396755.db2.gz	JKPCNFGIHMUCNW-UHFFFAOYSA-N	-1	3	341.798	4.069	40	0		EIABHM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c(C)c1	ZINC000408625529	563503224	/nfs/dbraw/zinc/50/32/24/563503224.db2.gz	VLQYIDBKKNIWGB-UHFFFAOYSA-N	-1	3	333.453	4.200	40	0		EIABHM
CCOC(=O)c1c(-c2ccccc2)oc2ccc([O-])c(N(C)C)c21	ZINC000006570115	563572736	/nfs/dbraw/zinc/57/27/36/563572736.db2.gz	GQJHTRICOUDYLV-UHFFFAOYSA-N	-1	3	325.364	4.048	40	0		EIABHM
O=C(Nc1cccc(Cl)c1Cl)c1c[n-]c2ccccc2c1=O	ZINC000408713025	563603952	/nfs/dbraw/zinc/60/39/52/563603952.db2.gz	HAJFTHKAWIXNMD-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1cccc(Cl)c1Cl)c1cnc2ccccc2c1[O-]	ZINC000408713025	563603955	/nfs/dbraw/zinc/60/39/55/563603955.db2.gz	HAJFTHKAWIXNMD-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1cc(Cl)cc(Cl)c1)c1c[n-]c2ccccc2c1=O	ZINC000408713188	563605527	/nfs/dbraw/zinc/60/55/27/563605527.db2.gz	NLYOWWODQFBUTL-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc2ccccc2c1[O-]	ZINC000408713188	563605530	/nfs/dbraw/zinc/60/55/30/563605530.db2.gz	NLYOWWODQFBUTL-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
CC(=C([O-])c1ccc(Cl)cc1)c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000008655352	563634255	/nfs/dbraw/zinc/63/42/55/563634255.db2.gz	QPJCMNLBPGOLEL-LBPRGKRZSA-N	-1	3	340.810	4.180	40	0	in-vitro	EIABHM
CC1(C)C=Cc2c([O-])c3c(cc2O1)occ(-c1ccc(O)cc1)c3=O	ZINC000014417338	563758902	/nfs/dbraw/zinc/75/89/02/563758902.db2.gz	RQAMSFTXEFSBPK-UHFFFAOYSA-N	-1	3	336.343	4.055	40	0	biogenic,in-vitro	EIABHM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(C)C)c1	ZINC000007361099	564015500	/nfs/dbraw/zinc/01/55/00/564015500.db2.gz	JZRKBZWSKIKRRU-UHFFFAOYSA-N	-1	3	333.453	4.182	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(C)C	ZINC000225678844	564049343	/nfs/dbraw/zinc/04/93/43/564049343.db2.gz	ABUKODQJTGUDDC-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
C/C=C(/C)c1cc(O)c(C)c2c1Oc1cc([O-])cc(C)c1C(=O)O2	ZINC000085555190	564073907	/nfs/dbraw/zinc/07/39/07/564073907.db2.gz	ZPPIKBUIYSSQEH-UITAMQMPSA-N	-1	3	326.348	4.463	40	0	biogenic,in-vitro	EIABHM
COc1cc(CNc2ccc(C)cc2C)cc(Br)c1[O-]	ZINC000019877354	212078332	/nfs/dbraw/zinc/07/83/32/212078332.db2.gz	WGVOXRJJKNTMEP-UHFFFAOYSA-N	-1	3	336.229	4.392	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1Cl	ZINC000408588699	563487168	/nfs/dbraw/zinc/48/71/68/563487168.db2.gz	XXAMHPWYWBQYDP-UHFFFAOYSA-N	-1	3	339.844	4.156	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)c1	ZINC000029046655	563904878	/nfs/dbraw/zinc/90/48/78/563904878.db2.gz	YPULIIHVKBAAJW-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
Cc1cc(OCc2n[n-]c(=S)n2-c2ccccc2)ccc1Cl	ZINC000005687708	564006051	/nfs/dbraw/zinc/00/60/51/564006051.db2.gz	ABXFBYZHLPJPTH-UHFFFAOYSA-N	-1	3	331.828	4.097	40	0		EIABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1	ZINC000007360515	564015490	/nfs/dbraw/zinc/01/54/90/564015490.db2.gz	ZQBXVSSLMJJBJV-UHFFFAOYSA-N	-1	3	349.452	4.018	40	0		EIABHM
CCCCc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1	ZINC000223099271	564038933	/nfs/dbraw/zinc/03/89/33/564038933.db2.gz	BGRBIZKSXYYGNE-UHFFFAOYSA-N	-1	3	347.480	4.455	40	0		EIABHM
CN(C)C(=O)Cc1ccccc1Nc1c(Cl)cc([O-])cc1Cl	ZINC000065740168	564134426	/nfs/dbraw/zinc/13/44/26/564134426.db2.gz	PHEVCOKHWYKTOS-UHFFFAOYSA-N	-1	3	339.222	4.073	40	0	in-vitro	EIABHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1C	ZINC000066129516	215015163	/nfs/dbraw/zinc/01/51/63/215015163.db2.gz	RDGMGVMWGBPXRU-UHFFFAOYSA-N	-1	3	345.464	4.208	40	0		EIABHM
Cc1ccc(OCc2n[n-]c(=S)n2-c2cccc(C)c2C)cc1	ZINC000036729332	213114801	/nfs/dbraw/zinc/11/48/01/213114801.db2.gz	GLNCTZHROANZQW-UHFFFAOYSA-N	-1	3	325.437	4.060	40	0		EIABHM
COc1nc2nccc(-c3ccc(-c4ccccc4)cc3)c2c(=O)[n-]1	ZINC000022606899	212310211	/nfs/dbraw/zinc/31/02/11/212310211.db2.gz	WNZDGKPCRFWIPG-UHFFFAOYSA-N	-1	3	329.359	4.073	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1Cl	ZINC000408588842	563487163	/nfs/dbraw/zinc/48/71/63/563487163.db2.gz	ZOGAWHXBGVHFMH-UHFFFAOYSA-N	-1	3	339.844	4.156	40	0		EIABHM
CCOc1ccc2ccccc2c1CNCc1ccc(C(=O)[O-])cc1	ZINC000008325137	563626471	/nfs/dbraw/zinc/62/64/71/563626471.db2.gz	JUDQCMNJKVTFSN-UHFFFAOYSA-N	-1	3	335.403	4.227	40	0		EIABHM
Cc1cc(C)c(NC(=O)CSN=C([O-])Nc2ccccc2)c(C)c1	ZINC000032109817	563913537	/nfs/dbraw/zinc/91/35/37/563913537.db2.gz	FGHQLOFIFMQWHF-UHFFFAOYSA-N	-1	3	343.452	4.020	40	0		EIABHM
Cc1cc(C)c(NC(=O)CS[N-]C(=O)Nc2ccccc2)c(C)c1	ZINC000032109817	563913539	/nfs/dbraw/zinc/91/35/39/563913539.db2.gz	FGHQLOFIFMQWHF-UHFFFAOYSA-N	-1	3	343.452	4.020	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)c1	ZINC000096659346	563980957	/nfs/dbraw/zinc/98/09/57/563980957.db2.gz	SPIQPGUJZCAJFI-UHFFFAOYSA-N	-1	3	333.453	4.038	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1OC	ZINC000113971108	563990757	/nfs/dbraw/zinc/99/07/57/563990757.db2.gz	RREOTTQUDPHUJC-UHFFFAOYSA-N	-1	3	333.453	4.182	40	0		EIABHM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2	ZINC000223657808	564040548	/nfs/dbraw/zinc/04/05/48/564040548.db2.gz	XWPGSDXUJKIYTA-UHFFFAOYSA-N	-1	3	345.464	4.153	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)c1C	ZINC000225466452	564047032	/nfs/dbraw/zinc/04/70/32/564047032.db2.gz	VVVHTFAUTDQSFS-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C/C(=O)[O-])n2)cc1	ZINC000031274852	564072869	/nfs/dbraw/zinc/07/28/69/564072869.db2.gz	PWACSDKDOHSSQD-MUUKASMTSA-N	-1	3	348.446	4.015	40	0	fda	EIABHM
Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C\C(=O)[O-])n2)cc1	ZINC000100296828	219096056	/nfs/dbraw/zinc/09/60/56/219096056.db2.gz	PWACSDKDOHSSQD-NALWFHSCSA-N	-1	3	348.446	4.015	40	0	fda	EIABHM
Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C\C(=O)[O-])n2)cc1	ZINC000100296832	219096096	/nfs/dbraw/zinc/09/60/96/219096096.db2.gz	PWACSDKDOHSSQD-WKLWQRMESA-N	-1	3	348.446	4.015	40	0	fda	EIABHM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C	ZINC000224709646	241776584	/nfs/dbraw/zinc/77/65/84/241776584.db2.gz	YICGLWYPIQEMST-UHFFFAOYSA-N	-1	3	347.480	4.238	40	0		EIABHM
Cc1cc(NC(N)=S)cc(-c2nc3cc(C(C)C)ccc3o2)c1[O-]	ZINC000020154584	212107696	/nfs/dbraw/zinc/10/76/96/212107696.db2.gz	DBUJRFMADYXLCR-UHFFFAOYSA-N	-1	3	341.436	4.288	40	0		EIABHM
COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1[O-]	ZINC000019920066	212083548	/nfs/dbraw/zinc/08/35/48/212083548.db2.gz	MCWIYZIOSYRROB-UHFFFAOYSA-N	-1	3	336.229	4.392	40	0		EIABHM
CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1	ZINC000078404108	217049047	/nfs/dbraw/zinc/04/90/47/217049047.db2.gz	ZGNAPQOPULATBM-CQSZACIVSA-N	-1	3	344.480	4.187	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2F)cc1C(C)C	ZINC000225871433	536614937	/nfs/dbraw/zinc/61/49/37/536614937.db2.gz	LCIVRFRTSVDHAE-UHFFFAOYSA-N	-1	3	337.416	4.067	40	0		EIABHM
O=c1nc(Cn2ccc3ccccc32)[n-]c2sc3c(c21)CCCC3	ZINC000408581490	563484519	/nfs/dbraw/zinc/48/45/19/563484519.db2.gz	INRQZAZNMQKBAG-UHFFFAOYSA-N	-1	3	335.432	4.279	40	0		EIABHM
CCOc1cc(CNc2ccccc2C)cc(Br)c1[O-]	ZINC000076276216	563921572	/nfs/dbraw/zinc/92/15/72/563921572.db2.gz	VDZGAYZHHCVOCP-UHFFFAOYSA-N	-1	3	336.229	4.474	40	0		EIABHM
CCc1ccccc1-n1c(COc2ccccc2C)n[n-]c1=S	ZINC000013535132	564087287	/nfs/dbraw/zinc/08/72/87/564087287.db2.gz	YXJYPGWAVCWHBQ-UHFFFAOYSA-N	-1	3	325.437	4.006	40	0		EIABHM
COc1cc(C)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl	ZINC000054363351	214234852	/nfs/dbraw/zinc/23/48/52/214234852.db2.gz	BHESRNOKPJBQRA-UHFFFAOYSA-N	-1	3	346.235	4.111	40	0		EIABHM
CCc1ccc(NCc2cc(Br)c([O-])c(OC)c2)cc1	ZINC000019955099	212089843	/nfs/dbraw/zinc/08/98/43/212089843.db2.gz	GKGADFOEALHRFW-UHFFFAOYSA-N	-1	3	336.229	4.338	40	0		EIABHM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000000241657	563989198	/nfs/dbraw/zinc/98/91/98/563989198.db2.gz	FSSKADJQRJZMSY-UHFFFAOYSA-N	-1	3	339.416	4.163	40	0		EIABHM
O=S(=O)([N-]c1cccnc1Cl)c1ccc(-c2ccccc2)cc1	ZINC000000806171	563999157	/nfs/dbraw/zinc/99/91/57/563999157.db2.gz	JKYVSKFWVITOSB-UHFFFAOYSA-N	-1	3	344.823	4.203	40	0		EIABHM
O=c1nc(-c2ccc(O)cc2[O-])[nH]c2sc3c(c21)CCCCCC3	ZINC000408993193	564008712	/nfs/dbraw/zinc/00/87/12/564008712.db2.gz	VQSVHHCTGMMYJT-UHFFFAOYSA-N	-1	3	342.420	4.134	40	0		EIABHM
O=c1nc(-c2ccc([O-])cc2O)[nH]c2sc3c(c21)CCCCCC3	ZINC000408993193	564008713	/nfs/dbraw/zinc/00/87/13/564008713.db2.gz	VQSVHHCTGMMYJT-UHFFFAOYSA-N	-1	3	342.420	4.134	40	0		EIABHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000005415939	564014056	/nfs/dbraw/zinc/01/40/56/564014056.db2.gz	BHLLAVVZDDAHGS-UHFFFAOYSA-N	-1	3	349.761	4.468	40	0		EIABHM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1	ZINC000006361916	564014679	/nfs/dbraw/zinc/01/46/79/564014679.db2.gz	GULOJXQAVNKJFE-UHFFFAOYSA-N	-1	3	333.453	4.229	40	0		EIABHM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000032585599	564024357	/nfs/dbraw/zinc/02/43/57/564024357.db2.gz	YLIBJNBHUIDZAS-UHFFFAOYSA-N	-1	3	339.844	4.020	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(C)c1C	ZINC000223902286	564041111	/nfs/dbraw/zinc/04/11/11/564041111.db2.gz	JHTIFDLDGNFMHX-UHFFFAOYSA-N	-1	3	341.432	4.266	40	0		EIABHM
O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)S1	ZINC000002932077	564153112	/nfs/dbraw/zinc/15/31/12/564153112.db2.gz	GTMDLXPVEQZQLA-OQLLNIDSSA-N	-1	3	345.807	4.243	40	0		EIABHM
FC(F)(F)c1nc2c([n-]1)c(Br)ccc2Br	ZINC000000822464	209691079	/nfs/dbraw/zinc/69/10/79/209691079.db2.gz	DYLHVMDRWJVLSN-UHFFFAOYSA-N	-1	3	343.928	4.107	40	0		EIABHM
O=C([N-]c1nc2ccccc2s1)c1c(F)c(F)c(F)c(F)c1F	ZINC000005705098	563546251	/nfs/dbraw/zinc/54/62/51/563546251.db2.gz	UNZDPEXTGSZHMP-UHFFFAOYSA-N	-1	3	344.264	4.244	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(C)c1	ZINC000096659496	563980993	/nfs/dbraw/zinc/98/09/93/563980993.db2.gz	WRQVDUBSUJURKC-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
O=C([O-])c1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1	ZINC000003025815	564013524	/nfs/dbraw/zinc/01/35/24/564013524.db2.gz	RDCXSHIOVYGLEF-UHFFFAOYSA-N	-1	3	347.414	4.254	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1OC	ZINC000223679688	564040620	/nfs/dbraw/zinc/04/06/20/564040620.db2.gz	BGGOTWIVWCXUIU-UHFFFAOYSA-N	-1	3	339.844	4.020	40	0		EIABHM
O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1Br	ZINC000006527354	568414853	/nfs/dbraw/zinc/41/48/53/568414853.db2.gz	HRRPVLWSBUQIEW-UHFFFAOYSA-N	-1	3	326.577	4.060	40	0		EIABHM
COc1cc(CNc2cccc(C)c2C)cc(Br)c1[O-]	ZINC000019964229	212090780	/nfs/dbraw/zinc/09/07/80/212090780.db2.gz	PJTHZOHHGBWWPA-UHFFFAOYSA-N	-1	3	336.229	4.392	40	0		EIABHM
O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(-c2ccccn2)[n-]n1	ZINC000019657052	212053257	/nfs/dbraw/zinc/05/32/57/212053257.db2.gz	GNOHVWFCWAZMEG-UHFFFAOYSA-N	-1	3	348.406	4.045	40	0		EIABHM
Cc1nc(-c2ccccc2)c(Cc2c(O)ccc3ccccc32)c(=O)[n-]1	ZINC000008649721	210976023	/nfs/dbraw/zinc/97/60/23/210976023.db2.gz	WAGXMLMFTUFIRG-UHFFFAOYSA-N	-1	3	342.398	4.195	40	0		EIABHM
CCOc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])ccc1OC	ZINC000408607561	563495968	/nfs/dbraw/zinc/49/59/68/563495968.db2.gz	MVEPBWOZXCPDCD-WEVVVXLNSA-N	-1	3	347.798	4.105	40	0		EIABHM
Cc1ccc(OCc2n[n-]c(=S)n2-c2ccc(Cl)cc2)cc1	ZINC000005687762	563545960	/nfs/dbraw/zinc/54/59/60/563545960.db2.gz	DKWOJXUFYZVFNU-UHFFFAOYSA-N	-1	3	331.828	4.097	40	0		EIABHM
CCOc1cc(CNc2cccc(C)c2)cc(Br)c1[O-]	ZINC000076276213	563921564	/nfs/dbraw/zinc/92/15/64/563921564.db2.gz	JHBPRGKEMJJSCZ-UHFFFAOYSA-N	-1	3	336.229	4.474	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C	ZINC000096659488	563980967	/nfs/dbraw/zinc/98/09/67/563980967.db2.gz	HPFYMYXIGMWRBU-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
O=c1nc(-c2ccccc2[O-])[nH]c2sc3c(c21)CCCCCC3	ZINC000006188266	564014564	/nfs/dbraw/zinc/01/45/64/564014564.db2.gz	DSCVCQUOIANAKK-UHFFFAOYSA-N	-1	3	326.421	4.016	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(C)C	ZINC000007360520	564015492	/nfs/dbraw/zinc/01/54/92/564015492.db2.gz	FQDULTZCLQTKHT-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1OC	ZINC000223679759	564040632	/nfs/dbraw/zinc/04/06/32/564040632.db2.gz	KMUXQSYUIARERZ-UHFFFAOYSA-N	-1	3	339.844	4.020	40	0		EIABHM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC)c2)cc1	ZINC000223684160	564040634	/nfs/dbraw/zinc/04/06/34/564040634.db2.gz	DYEKHEIABUAMAN-UHFFFAOYSA-N	-1	3	347.480	4.401	40	0		EIABHM
O=C(Nc1ccc(Cl)c(Cl)c1)c1c[n-]c2ccccc2c1=O	ZINC000031544719	564049950	/nfs/dbraw/zinc/04/99/50/564049950.db2.gz	ZLSLNYMMJKNCEM-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc2ccccc2c1[O-]	ZINC000031544719	564049951	/nfs/dbraw/zinc/04/99/51/564049951.db2.gz	ZLSLNYMMJKNCEM-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
CCc1ccc(OCc2n[n-]c(=S)n2-c2cccc(C)c2C)cc1	ZINC000013535545	564074259	/nfs/dbraw/zinc/07/42/59/564074259.db2.gz	KSGQNFHOJZEIMW-UHFFFAOYSA-N	-1	3	339.464	4.314	40	0		EIABHM
O=Cc1cc(-c2cccc(C(=O)OCc3ccccc3)c2)ccc1[O-]	ZINC000096312889	564093428	/nfs/dbraw/zinc/09/34/28/564093428.db2.gz	TVJDDMABTOLHIL-UHFFFAOYSA-N	-1	3	332.355	4.229	40	0		EIABHM
Cc1csc([C@@H]2CCCCN2C(=O)c2cc([O-])ccc2Cl)n1	ZINC000331990111	1033083422	/nfs/dbraw/zinc/08/34/22/1033083422.db2.gz	USJDSLGPVFXTFO-AWEZNQCLSA-N	-1	3	336.844	4.178	40	0		EIABHM
O=C(Nc1c(Cl)cccc1Cl)c1c[n-]c2ccccc2c1=O	ZINC000000043501	209386531	/nfs/dbraw/zinc/38/65/31/209386531.db2.gz	HCGXVSGNSGRLSK-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1c(Cl)cccc1Cl)c1cnc2ccccc2c1[O-]	ZINC000000043501	209386533	/nfs/dbraw/zinc/38/65/33/209386533.db2.gz	HCGXVSGNSGRLSK-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
FC(F)(F)c1nnc(SCc2c(Cl)cccc2Cl)[n-]1	ZINC000216926924	241225149	/nfs/dbraw/zinc/22/51/49/241225149.db2.gz	AWDMVUDJSUODHK-UHFFFAOYSA-N	-1	3	328.146	4.423	40	0		EIABHM
FC(F)(F)c1n[n-]c(SCc2c(Cl)cccc2Cl)n1	ZINC000216926924	241225151	/nfs/dbraw/zinc/22/51/51/241225151.db2.gz	AWDMVUDJSUODHK-UHFFFAOYSA-N	-1	3	328.146	4.423	40	0		EIABHM
FC(F)(F)c1nc(SCc2c(Cl)cccc2Cl)n[n-]1	ZINC000216926924	241225153	/nfs/dbraw/zinc/22/51/53/241225153.db2.gz	AWDMVUDJSUODHK-UHFFFAOYSA-N	-1	3	328.146	4.423	40	0		EIABHM
O=S(=O)([N-]c1ccccc1)c1ccc(Oc2ccccc2)cc1	ZINC000005598889	210497839	/nfs/dbraw/zinc/49/78/39/210497839.db2.gz	BFRRYHLSNRRORN-UHFFFAOYSA-N	-1	3	325.389	4.280	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C	ZINC000096659315	563980953	/nfs/dbraw/zinc/98/09/53/563980953.db2.gz	VNHOCWVINZUEMO-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C	ZINC000096659335	563980965	/nfs/dbraw/zinc/98/09/65/563980965.db2.gz	QWGBRNKDQUAMTK-UHFFFAOYSA-N	-1	3	333.453	4.038	40	0		EIABHM
O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1ccccc1	ZINC000007404489	564015553	/nfs/dbraw/zinc/01/55/53/564015553.db2.gz	VGODAVNDRYAQSX-UHFFFAOYSA-N	-1	3	335.734	4.160	40	0		EIABHM
Cc1ccc(C)c(-n2c(COc3ccccc3C)n[n-]c2=S)c1	ZINC000013535152	564020102	/nfs/dbraw/zinc/02/01/02/564020102.db2.gz	NOKUBEIYIOEQLV-UHFFFAOYSA-N	-1	3	325.437	4.060	40	0		EIABHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3sncc3c2)c(C)c1	ZINC000222974168	564038600	/nfs/dbraw/zinc/03/86/00/564038600.db2.gz	IIKJEPZOZMHDPW-UHFFFAOYSA-N	-1	3	332.450	4.022	40	0		EIABHM
CC(C)c1cc(C(=O)N2CCC[C@H]2CCCO)c([O-])c(C(C)C)c1	ZINC000305782023	564079313	/nfs/dbraw/zinc/07/93/13/564079313.db2.gz	AFHYOEXTBZYCIJ-INIZCTEOSA-N	-1	3	333.472	4.016	40	0		EIABHM
CN1CCc2cc(Cl)c([O-])cc2[C@@H](c2cccc3ccoc32)C1	ZINC000005966869	560204033	/nfs/dbraw/zinc/20/40/33/560204033.db2.gz	RUSANBIFMAXXSJ-MRXNPFEDSA-N	-1	3	327.811	4.412	40	0	in-vitro	EIABHM
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000408701246	563586445	/nfs/dbraw/zinc/58/64/45/563586445.db2.gz	UYIRVMWNLKQUFX-UHFFFAOYSA-N	-1	3	339.844	4.273	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1Cl	ZINC000014153423	564021489	/nfs/dbraw/zinc/02/14/89/564021489.db2.gz	QIKXWUDRIWQMFD-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1Cl	ZINC000032585724	564024376	/nfs/dbraw/zinc/02/43/76/564024376.db2.gz	SBUIZRSPIWTJPO-UHFFFAOYSA-N	-1	3	346.235	4.111	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(C)c1C	ZINC000225333262	564046026	/nfs/dbraw/zinc/04/60/26/564046026.db2.gz	YEQQOWTXECTQPE-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)c1C	ZINC000225646810	564048925	/nfs/dbraw/zinc/04/89/25/564048925.db2.gz	JDJGRJILZRNECZ-UHFFFAOYSA-N	-1	3	333.453	4.038	40	0		EIABHM
CCc1cc(-c2oncc2-c2ccc(OC)cc2)c([O-])cc1OC	ZINC000100096773	219090716	/nfs/dbraw/zinc/09/07/16/219090716.db2.gz	BNBHIGLOMVMJDB-UHFFFAOYSA-N	-1	3	325.364	4.294	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1Cl	ZINC000408585899	563485511	/nfs/dbraw/zinc/48/55/11/563485511.db2.gz	KRUMCJGWKOYPIM-UHFFFAOYSA-N	-1	3	339.844	4.156	40	0		EIABHM
COc1ccc(OC([O-])=NC(=S)c2cccc3ccccc32)cc1	ZINC000408730446	563630531	/nfs/dbraw/zinc/63/05/31/563630531.db2.gz	GJVZKAIVLLLVET-UHFFFAOYSA-N	-1	3	337.400	4.313	40	0		EIABHM
COc1ccc(OC(=O)[N-]C(=S)c2cccc3ccccc32)cc1	ZINC000408730446	563630533	/nfs/dbraw/zinc/63/05/33/563630533.db2.gz	GJVZKAIVLLLVET-UHFFFAOYSA-N	-1	3	337.400	4.313	40	0		EIABHM
O=C1OC(c2cccc(F)c2)=N/C1=C\c1c([O-])ccc2ccccc21	ZINC000000327117	563996856	/nfs/dbraw/zinc/99/68/56/563996856.db2.gz	FOGRPZOPZVSJQP-BOPFTXTBSA-N	-1	3	333.318	4.029	40	0		EIABHM
CC[C@@H](C)N1C(=O)S/C(=C\c2c([O-])ccc3ccccc32)C1=O	ZINC000409010546	564008860	/nfs/dbraw/zinc/00/88/60/564008860.db2.gz	FOVUAYJTFXJPSU-FFCYNSPCSA-N	-1	3	327.405	4.380	40	0		EIABHM
CC[C@H](C)N1C(=O)S/C(=C\c2c([O-])ccc3ccccc32)C1=O	ZINC000409010547	564008891	/nfs/dbraw/zinc/00/88/91/564008891.db2.gz	FOVUAYJTFXJPSU-OKHBPPCESA-N	-1	3	327.405	4.380	40	0		EIABHM
O=C(Nc1c[nH]c2ccccc12)c1cccc2nc(C(F)(F)F)[n-]c21	ZINC000013995871	564020821	/nfs/dbraw/zinc/02/08/21/564020821.db2.gz	OQXUHIROZDJZAE-UHFFFAOYSA-N	-1	3	344.296	4.315	40	0		EIABHM
O=C(Nc1c[nH]c2ccccc12)c1cccc2[n-]c(C(F)(F)F)nc21	ZINC000013995871	564020822	/nfs/dbraw/zinc/02/08/22/564020822.db2.gz	OQXUHIROZDJZAE-UHFFFAOYSA-N	-1	3	344.296	4.315	40	0		EIABHM
CSc1nnc([N-]C(=O)c2cc3c(ccc4ccccc34)o2)s1	ZINC000224836778	564043792	/nfs/dbraw/zinc/04/37/92/564043792.db2.gz	UWFAONMKIIHPBA-UHFFFAOYSA-N	-1	3	341.417	4.412	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(C)C	ZINC000008558736	564127539	/nfs/dbraw/zinc/12/75/39/564127539.db2.gz	LWULXKZFQZUZAZ-UHFFFAOYSA-N	-1	3	339.844	4.273	40	0		EIABHM
FC(F)(F)c1nc2c([n-]1)c(Br)ccc2C(F)(F)F	ZINC000258833767	564135210	/nfs/dbraw/zinc/13/52/10/564135210.db2.gz	LTSLSIIWOOBLQJ-UHFFFAOYSA-N	-1	3	333.029	4.363	40	0		EIABHM
FC(F)(F)c1nc2c([n-]1)c(C(F)(F)F)ccc2Br	ZINC000258833767	564135211	/nfs/dbraw/zinc/13/52/11/564135211.db2.gz	LTSLSIIWOOBLQJ-UHFFFAOYSA-N	-1	3	333.029	4.363	40	0		EIABHM
Cc1ccc(-c2nnsc2C(=O)[N-]c2ccc(F)cc2F)cc1	ZINC000225774419	242028536	/nfs/dbraw/zinc/02/85/36/242028536.db2.gz	KZKMEKQQCJYTBZ-UHFFFAOYSA-N	-1	3	331.347	4.044	40	0		EIABHM
Cc1cc2nc(-c3cc(N)ccc3[O-])oc2c(Br)c1C	ZINC000020156864	212107215	/nfs/dbraw/zinc/10/72/15/212107215.db2.gz	RMKAHOMVLPJKKW-UHFFFAOYSA-N	-1	3	333.185	4.162	40	0		EIABHM
CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000013939119	211657489	/nfs/dbraw/zinc/65/74/89/211657489.db2.gz	ZADIXKQPQVPAQF-UHFFFAOYSA-N	-1	3	338.300	4.487	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C	ZINC000408553235	257897338	/nfs/dbraw/zinc/89/73/38/257897338.db2.gz	PGYSHSIAJFNGQP-UHFFFAOYSA-N	-1	3	333.453	4.318	40	0		EIABHM
O=C1S/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1c1ccccc1	ZINC000059502984	257849679	/nfs/dbraw/zinc/84/96/79/257849679.db2.gz	HCMCINGGFJCASD-NTEUORMPSA-N	-1	3	331.780	4.287	40	0		EIABHM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1	ZINC000007309588	563599794	/nfs/dbraw/zinc/59/97/94/563599794.db2.gz	CNHUAIFWSPVTMV-NSHDSACASA-N	-1	3	344.263	4.075	40	0		EIABHM
O=C(Nc1cccc(Cl)c1Cl)C(=S)[N-]Cc1ccccc1	ZINC000000039185	563964162	/nfs/dbraw/zinc/96/41/62/563964162.db2.gz	NROFRNLMUQTWRB-UHFFFAOYSA-N	-1	3	339.247	4.049	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C	ZINC000096659301	563980922	/nfs/dbraw/zinc/98/09/22/563980922.db2.gz	PAYPTEWAWUMYIU-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)c1	ZINC000096659482	563980981	/nfs/dbraw/zinc/98/09/81/563980981.db2.gz	XDMGVEHMWZMQEO-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
O=C(CSc1nnc(-c2ccccc2[O-])o1)c1ccc(Cl)cc1	ZINC000000411881	563997094	/nfs/dbraw/zinc/99/70/94/563997094.db2.gz	CHLPXIDKWUXGMX-UHFFFAOYSA-N	-1	3	346.795	4.071	40	0		EIABHM
C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1cc(-c3ccccc3[O-])on1)C2	ZINC000013119830	564019554	/nfs/dbraw/zinc/01/95/54/564019554.db2.gz	AHOKGEPMVCQDBT-RBZFPXEDSA-N	-1	3	340.423	4.088	40	0		EIABHM
CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccc([O-])c(C=O)c1	ZINC000096312937	564093418	/nfs/dbraw/zinc/09/34/18/564093418.db2.gz	XCQFEWBKFRKLCO-UHFFFAOYSA-N	-1	3	345.370	4.036	40	0		EIABHM
Cc1ccc(SCC(=O)c2cc(Br)ccc2[O-])cc1	ZINC000016310950	563808397	/nfs/dbraw/zinc/80/83/97/563808397.db2.gz	OZLWRTRJBWCJGH-UHFFFAOYSA-N	-1	3	337.238	4.438	40	0		EIABHM
O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cccc2ccccc21	ZINC000009694907	564016939	/nfs/dbraw/zinc/01/69/39/564016939.db2.gz	SEAZHLDCTPEZCO-UHFFFAOYSA-N	-1	3	331.824	4.435	40	0		EIABHM
CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1F	ZINC000223436197	564040016	/nfs/dbraw/zinc/04/00/16/564040016.db2.gz	HVEUXKVTBDRJLT-UHFFFAOYSA-N	-1	3	349.811	4.141	40	0		EIABHM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1	ZINC000223675383	564040625	/nfs/dbraw/zinc/04/06/25/564040625.db2.gz	DGLVYAQUKFQRSP-UHFFFAOYSA-N	-1	3	345.464	4.426	40	0		EIABHM
CC(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1	ZINC000022259155	212286151	/nfs/dbraw/zinc/28/61/51/212286151.db2.gz	VHVVMURANMGHGS-UHFFFAOYSA-N	-1	3	329.465	4.490	40	0		EIABHM
CCCc1nc2nc(-c3ccccc3[O-])cc(-c3ccccc3)n2n1	ZINC000020635864	212157973	/nfs/dbraw/zinc/15/79/73/212157973.db2.gz	XBEXBWOQIAXZLS-UHFFFAOYSA-N	-1	3	330.391	4.116	40	0		EIABHM
Cc1ccc(C2=N/C(=C\c3c([O-])ccc4ccccc43)C(=O)O2)cc1	ZINC000019418308	212025081	/nfs/dbraw/zinc/02/50/81/212025081.db2.gz	LWBUBMMXWKVQNF-PDGQHHTCSA-N	-1	3	329.355	4.198	40	0		EIABHM
N[C@@H](CC(=O)[O-])c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1	ZINC000044216756	564118081	/nfs/dbraw/zinc/11/80/81/564118081.db2.gz	WXSJGVHAZYJLRI-JTQLQIEISA-N	-1	3	333.693	4.093	40	0		EIABHM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(C)C)c1	ZINC000408682302	563562344	/nfs/dbraw/zinc/56/23/44/563562344.db2.gz	WZZSRAUFBASUCI-UHFFFAOYSA-N	-1	3	347.480	4.490	40	0		EIABHM
Cc1ccc(SCc2cc(=O)[n-]c(Nc3ccc(F)cc3)n2)cc1	ZINC000013637065	563705679	/nfs/dbraw/zinc/70/56/79/563705679.db2.gz	SAXUARIUJFYIAL-UHFFFAOYSA-N	-1	3	341.411	4.253	40	0		EIABHM
Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1F	ZINC000096659759	563981028	/nfs/dbraw/zinc/98/10/28/563981028.db2.gz	LFDGJCVMEGHHCB-UHFFFAOYSA-N	-1	3	334.199	4.242	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)c1C	ZINC000222902763	564038309	/nfs/dbraw/zinc/03/83/09/564038309.db2.gz	VGDXSJKITOJLMK-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000223434657	564039949	/nfs/dbraw/zinc/03/99/49/564039949.db2.gz	RALMXFDLHOGDFT-UHFFFAOYSA-N	-1	3	331.821	4.002	40	0		EIABHM
CC(C)CSc1nnc([N-]C(=O)c2cc3ccccc3o2)s1	ZINC000223904518	564041100	/nfs/dbraw/zinc/04/11/00/564041100.db2.gz	JRUSKOVODPUJGO-UHFFFAOYSA-N	-1	3	333.438	4.285	40	0		EIABHM
[O-]c1cc(-n2cnnc2)ccc1-c1nc2cc(Cl)cc(Cl)c2o1	ZINC000045920468	213766075	/nfs/dbraw/zinc/76/60/75/213766075.db2.gz	WCXOSGNMEZCERQ-UHFFFAOYSA-N	-1	3	347.161	4.088	40	0		EIABHM
FC(F)(F)c1cc(-c2ccc(Br)cc2)nc(=S)[n-]1	ZINC000036724559	213113885	/nfs/dbraw/zinc/11/38/85/213113885.db2.gz	UEZRMNLSCQCASQ-UHFFFAOYSA-N	-1	3	335.148	4.214	40	0		EIABHM
CSc1ccccc1[N-]C(=O)c1snnc1-c1ccc(C)cc1	ZINC000225776202	242030231	/nfs/dbraw/zinc/03/02/31/242030231.db2.gz	ATJYUEVTFMOJMN-UHFFFAOYSA-N	-1	3	341.461	4.488	40	0		EIABHM
O=C(Nc1ccc([O-])c(Br)c1)c1cccc(Cl)c1	ZINC000003075782	563471292	/nfs/dbraw/zinc/47/12/92/563471292.db2.gz	JGXDQECNXUSHNI-UHFFFAOYSA-N	-1	3	326.577	4.060	40	0		EIABHM
CCCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000005729265	563547738	/nfs/dbraw/zinc/54/77/38/563547738.db2.gz	JNKNECPEVMAFIZ-UHFFFAOYSA-N	-1	3	339.844	4.320	40	0		EIABHM
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1	ZINC000030872762	563911579	/nfs/dbraw/zinc/91/15/79/563911579.db2.gz	IWOMRQLKLWKVRO-UHFFFAOYSA-N	-1	3	343.379	4.419	40	0		EIABHM
CCSc1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1	ZINC000044904862	563928145	/nfs/dbraw/zinc/92/81/45/563928145.db2.gz	UHXNZXMOPQUJGI-UHFFFAOYSA-N	-1	3	341.885	4.394	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1C	ZINC000032585598	564024385	/nfs/dbraw/zinc/02/43/85/564024385.db2.gz	DLPGRCBUNAWJAH-UHFFFAOYSA-N	-1	3	333.453	4.065	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(C)c1	ZINC000225183650	564045339	/nfs/dbraw/zinc/04/53/39/564045339.db2.gz	KLRRGWXBYUFBST-UHFFFAOYSA-N	-1	3	341.432	4.266	40	0		EIABHM
O=S(=O)([N-]Cc1cccc(Oc2ccccc2)c1)c1cccs1	ZINC000032469697	563913799	/nfs/dbraw/zinc/91/37/99/563913799.db2.gz	FFXJJQIWUIADII-UHFFFAOYSA-N	-1	3	345.445	4.019	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C	ZINC000096659455	563980961	/nfs/dbraw/zinc/98/09/61/563980961.db2.gz	FKWMSLZBCGAINI-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)c1	ZINC000096659587	563980971	/nfs/dbraw/zinc/98/09/71/563980971.db2.gz	OPEHJOQKLGXKCQ-UHFFFAOYSA-N	-1	3	333.453	4.200	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C	ZINC000032585723	564024349	/nfs/dbraw/zinc/02/43/49/564024349.db2.gz	SKKUBWBNXQRUAR-UHFFFAOYSA-N	-1	3	339.844	4.156	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C	ZINC000223758359	564040821	/nfs/dbraw/zinc/04/08/21/564040821.db2.gz	YCTFKZLXBFWASA-UHFFFAOYSA-N	-1	3	341.432	4.266	40	0		EIABHM
O=S(=O)(Cc1ccccc1F)[N-]c1ccc2c3c(cccc31)CC2	ZINC000224183714	564041979	/nfs/dbraw/zinc/04/19/79/564041979.db2.gz	KDWUHHPURDYABZ-UHFFFAOYSA-N	-1	3	341.407	4.019	40	0		EIABHM
CC(C)c1cc(C(=O)N2CCC[C@@H]2CCCO)c([O-])c(C(C)C)c1	ZINC000305782026	564079318	/nfs/dbraw/zinc/07/93/18/564079318.db2.gz	AFHYOEXTBZYCIJ-MRXNPFEDSA-N	-1	3	333.472	4.016	40	0		EIABHM
CCSc1ccccc1[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000020038504	212096256	/nfs/dbraw/zinc/09/62/56/212096256.db2.gz	WBFOLVOFBXGYIP-UHFFFAOYSA-N	-1	3	341.885	4.394	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1	ZINC000006362082	564014701	/nfs/dbraw/zinc/01/47/01/564014701.db2.gz	COUWBUANKXTOJE-UHFFFAOYSA-N	-1	3	333.453	4.011	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1C	ZINC000408554420	563470575	/nfs/dbraw/zinc/47/05/75/563470575.db2.gz	RXGMEGXGAVXMON-UHFFFAOYSA-N	-1	3	347.480	4.319	40	0		EIABHM
O=c1nnc(SCc2ccccc2)c(SCc2ccccc2)[n-]1	ZINC000017431024	563844501	/nfs/dbraw/zinc/84/45/01/563844501.db2.gz	JERSHPLZQFXFKQ-UHFFFAOYSA-N	-1	3	341.461	4.162	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C)c1	ZINC000096659461	563980987	/nfs/dbraw/zinc/98/09/87/563980987.db2.gz	HSJWIZNSJUWQLV-UHFFFAOYSA-N	-1	3	339.844	4.075	40	0		EIABHM
O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[O-]	ZINC000409412567	564012179	/nfs/dbraw/zinc/01/21/79/564012179.db2.gz	XSMHOTPWLKHJJW-UHFFFAOYSA-N	-1	3	328.220	4.430	40	0		EIABHM
O=C(NCCOc1ccc(C2CCCCC2)cc1)c1ccccc1[O-]	ZINC000059474414	564050751	/nfs/dbraw/zinc/05/07/51/564050751.db2.gz	WTNQUGOPMGETCN-UHFFFAOYSA-N	-1	3	339.435	4.249	40	0		EIABHM
O=C([N-]CCc1c2ccccc2[nH]c1-c1ccccc1)C(F)(F)F	ZINC000001645265	563398779	/nfs/dbraw/zinc/39/87/79/563398779.db2.gz	BLLKGULIOVANKE-UHFFFAOYSA-N	-1	3	332.325	4.056	40	0		EIABHM
Cc1cc(Br)c([O-])c(C(=O)CSc2ccccc2)c1	ZINC000006527709	563571081	/nfs/dbraw/zinc/57/10/81/563571081.db2.gz	KBLDBCZMMRBJTN-UHFFFAOYSA-N	-1	3	337.238	4.438	40	0		EIABHM
Clc1ccc(CSc2n[n-]c(-c3ccccn3)n2)c(Cl)c1	ZINC000071834809	563920952	/nfs/dbraw/zinc/92/09/52/563920952.db2.gz	UMXQFAYZLXQRIG-UHFFFAOYSA-N	-1	3	337.235	4.466	40	0		EIABHM
O=S(=O)([N-]C1CCCCCCC1)c1cc(Cl)ccc1Cl	ZINC000006329763	564014759	/nfs/dbraw/zinc/01/47/59/564014759.db2.gz	UBYSQIIXYGQZAI-UHFFFAOYSA-N	-1	3	336.284	4.385	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(C)C	ZINC000007360956	564015502	/nfs/dbraw/zinc/01/55/02/564015502.db2.gz	AUVPTXJOIXHRPC-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2	ZINC000223657709	564040544	/nfs/dbraw/zinc/04/05/44/564040544.db2.gz	GXHRVJIBDMRMJO-UHFFFAOYSA-N	-1	3	345.464	4.208	40	0		EIABHM
CCc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1	ZINC000225066178	564044649	/nfs/dbraw/zinc/04/46/49/564044649.db2.gz	OHFNSGMHZMFRQL-UHFFFAOYSA-N	-1	3	347.480	4.490	40	0		EIABHM
Cc1nc2ccccc2nc1SCc1ccc([O-])c2ncccc12	ZINC000006825248	563587906	/nfs/dbraw/zinc/58/79/06/563587906.db2.gz	WVFOVVFTNWXUFI-UHFFFAOYSA-N	-1	3	333.416	4.484	40	0		EIABHM
Cc1ccc(NCc2n[n-]c(=S)n2-c2cccc(Cl)c2)cc1	ZINC000006533820	564006587	/nfs/dbraw/zinc/00/65/87/564006587.db2.gz	WBQFASRJWPIWST-UHFFFAOYSA-N	-1	3	330.844	4.130	40	0		EIABHM
C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cc(-c3ccccc3[O-])on1)C2	ZINC000013119828	564019563	/nfs/dbraw/zinc/01/95/63/564019563.db2.gz	AHOKGEPMVCQDBT-ZUOKHONESA-N	-1	3	340.423	4.088	40	0		EIABHM
O=Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2)ccc1[O-]	ZINC000096312838	564093410	/nfs/dbraw/zinc/09/34/10/564093410.db2.gz	IEVWXWFWHVGELC-UHFFFAOYSA-N	-1	3	332.355	4.229	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C	ZINC000005235138	564125656	/nfs/dbraw/zinc/12/56/56/564125656.db2.gz	FHLBNFMAIBVPQS-UHFFFAOYSA-N	-1	3	339.844	4.156	40	0		EIABHM
CCCCC(=O)[N-]C(=S)N=c1[nH]c2ccc(CCCC)cc2s1	ZINC000032118960	212791119	/nfs/dbraw/zinc/79/11/19/212791119.db2.gz	PZUVLSSELZQFKK-UHFFFAOYSA-N	-1	3	349.525	4.064	40	0		EIABHM
O=C(Nc1ccc(Cl)cc1Cl)c1c[n-]c2ccccc2c1=O	ZINC000000043502	209386645	/nfs/dbraw/zinc/38/66/45/209386645.db2.gz	HKZYJYNDFAVWBL-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1ccc(Cl)cc1Cl)c1cnc2ccccc2c1[O-]	ZINC000000043502	209386650	/nfs/dbraw/zinc/38/66/50/209386650.db2.gz	HKZYJYNDFAVWBL-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
CCCc1nnc([N-]C(=O)c2ccc(-c3ccccc3F)o2)s1	ZINC000021635126	212236439	/nfs/dbraw/zinc/23/64/39/212236439.db2.gz	DFPAAKFRAYZCPY-UHFFFAOYSA-N	-1	3	331.372	4.142	40	0		EIABHM
CCSc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1	ZINC000020491462	212138446	/nfs/dbraw/zinc/13/84/46/212138446.db2.gz	GMARPRQJWKCAGE-UHFFFAOYSA-N	-1	3	341.885	4.394	40	0		EIABHM
O=c1cc(CSc2ccc(Cl)cc2)nc(Nc2ccccc2)[n-]1	ZINC000009939306	211134852	/nfs/dbraw/zinc/13/48/52/211134852.db2.gz	PLQOOMWGYGMRBY-UHFFFAOYSA-N	-1	3	343.839	4.459	40	0		EIABHM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1	ZINC000007309589	563599697	/nfs/dbraw/zinc/59/96/97/563599697.db2.gz	CNHUAIFWSPVTMV-LLVKDONJSA-N	-1	3	344.263	4.075	40	0		EIABHM
N=C1N=C(N2CCCCC2)S/C1=C/c1ccc2ccccc2c1[O-]	ZINC000016526021	563814528	/nfs/dbraw/zinc/81/45/28/563814528.db2.gz	BASHBPMZLFQARX-OLKMIDAGSA-N	-1	3	337.448	4.452	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(C)C	ZINC000007361085	564015523	/nfs/dbraw/zinc/01/55/23/564015523.db2.gz	WKJOHOZSLMTERP-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
O=C(Nc1cc(Cl)ccc1Cl)c1c[n-]c2ccccc2c1=O	ZINC000022233906	212284023	/nfs/dbraw/zinc/28/40/23/212284023.db2.gz	WQTBENIUQYOBTA-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
O=C(Nc1cc(Cl)ccc1Cl)c1cnc2ccccc2c1[O-]	ZINC000022233906	212284024	/nfs/dbraw/zinc/28/40/24/212284024.db2.gz	WQTBENIUQYOBTA-UHFFFAOYSA-N	-1	3	333.174	4.087	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1Cl	ZINC000408585947	563485586	/nfs/dbraw/zinc/48/55/86/563485586.db2.gz	LNIYZTLMLMAWRX-UHFFFAOYSA-N	-1	3	346.235	4.193	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1Cl	ZINC000408587325	563485940	/nfs/dbraw/zinc/48/59/40/563485940.db2.gz	TYAHJYMSIXKBOE-UHFFFAOYSA-N	-1	3	339.844	4.156	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1	ZINC000006315940	563564946	/nfs/dbraw/zinc/56/49/46/563564946.db2.gz	VONIFXNYGOMTKN-UHFFFAOYSA-N	-1	3	327.405	4.039	40	0		EIABHM
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C	ZINC000033651411	564128354	/nfs/dbraw/zinc/12/83/54/564128354.db2.gz	JRANQAQJEPUQBY-UHFFFAOYSA-N	-1	3	333.453	4.120	40	0		EIABHM
COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl	ZINC000054363364	214234742	/nfs/dbraw/zinc/23/47/42/214234742.db2.gz	BTPZAEUSDIYMJH-UHFFFAOYSA-N	-1	3	346.235	4.111	40	0		EIABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(C)C)c(C)c1	ZINC000096659308	563980933	/nfs/dbraw/zinc/98/09/33/563980933.db2.gz	KSAOGXFXAKJBOJ-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C	ZINC000096659365	563980977	/nfs/dbraw/zinc/98/09/77/563980977.db2.gz	RCBHUJJSWTXRJR-UHFFFAOYSA-N	-1	3	347.480	4.238	40	0		EIABHM
COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(C)C	ZINC000007360565	564015478	/nfs/dbraw/zinc/01/54/78/564015478.db2.gz	GDFKYLDLBUYLJN-UHFFFAOYSA-N	-1	3	333.453	4.236	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1OC	ZINC000223683584	564040616	/nfs/dbraw/zinc/04/06/16/564040616.db2.gz	QAXQKXACYZWZIU-UHFFFAOYSA-N	-1	3	347.480	4.490	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1OC	ZINC000223678532	564040628	/nfs/dbraw/zinc/04/06/28/564040628.db2.gz	RZZUKLUVHYAWPK-UHFFFAOYSA-N	-1	3	341.432	4.212	40	0		EIABHM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1	ZINC000225213455	564045439	/nfs/dbraw/zinc/04/54/39/564045439.db2.gz	OFIZSCIMYCECEY-UHFFFAOYSA-N	-1	3	347.480	4.455	40	0		EIABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1F	ZINC000225607576	564048322	/nfs/dbraw/zinc/04/83/22/564048322.db2.gz	MVLNKNPFAIMIOQ-UHFFFAOYSA-N	-1	3	349.427	4.256	40	0		EIABHM
CCc1ccc(OCc2n[n-]c(=S)n2-c2ccc(C)cc2)cc1	ZINC000013535529	564074256	/nfs/dbraw/zinc/07/42/56/564074256.db2.gz	RXKKSNLOEVCJJS-UHFFFAOYSA-N	-1	3	325.437	4.006	40	0		EIABHM
Cc1cc2nc(-c3ccc(N)cc3[O-])oc2c(Br)c1C	ZINC000020156868	212107421	/nfs/dbraw/zinc/10/74/21/212107421.db2.gz	RRBMTTBLVYPVKU-UHFFFAOYSA-N	-1	3	333.185	4.162	40	0		EIABHM
CCN(CC)c1ccc2c([O-])c(-c3ccccc3)c(=O)n(CC)c2c1	ZINC000255189676	535689375	/nfs/dbraw/zinc/68/93/75/535689375.db2.gz	RJJCXYAWIDOWSO-UHFFFAOYSA-N	-1	3	336.435	4.240	40	0		EIABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1CCCCCCC1	ZINC000408585824	563485535	/nfs/dbraw/zinc/48/55/35/563485535.db2.gz	JVJBIRPJDFPFHQ-UHFFFAOYSA-N	-1	3	345.892	4.130	40	0		EIABHM
CCc1ccc(OCc2n[n-]c(=S)n2-c2cc(C)ccc2C)cc1	ZINC000013535541	564020114	/nfs/dbraw/zinc/02/01/14/564020114.db2.gz	UZPJQSLMUKCDDO-UHFFFAOYSA-N	-1	3	339.464	4.314	40	0		EIABHM
CCc1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1OC	ZINC000223683191	564040612	/nfs/dbraw/zinc/04/06/12/564040612.db2.gz	MENMPFWYGFSLRK-UHFFFAOYSA-N	-1	3	333.453	4.182	40	0		EIABHM
Cc1nc(-c2ccccc2C(=O)[O-])cc([C@H]2CCCCN2C(C)C)n1	ZINC000257332493	564055631	/nfs/dbraw/zinc/05/56/31/564055631.db2.gz	XXNKJZQZECMLMX-LJQANCHMSA-N	-1	3	339.439	4.086	40	0		EIABHM