smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC)cc2)cc1CC	ZINC000159983967	551573812	/nfs/dbraw/zinc/57/38/12/551573812.db2.gz	QDSVLVFPZOFOEP-UHFFFAOYSA-N	-1	1	382.507	2.520	20	70		GFIDMM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[nH]n1	ZINC000159881754	551572738	/nfs/dbraw/zinc/57/27/38/551572738.db2.gz	KRZLIGOOMGEQDO-LBPRGKRZSA-N	-1	1	385.511	2.659	20	70		GFIDMM
Cc1ccc(I)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1	ZINC000160858988	551586432	/nfs/dbraw/zinc/58/64/32/551586432.db2.gz	HYPUVESBRHZLHK-UHFFFAOYSA-N	-1	1	396.110	2.989	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(Cl)c2)co1	ZINC000160918314	551587383	/nfs/dbraw/zinc/58/73/83/551587383.db2.gz	MOIAGGTXYCOEQI-UHFFFAOYSA-N	-1	1	393.646	2.856	20	70		GFIDMM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160772422	551585486	/nfs/dbraw/zinc/58/54/86/551585486.db2.gz	IUEACHRVJDERPV-SECBINFHSA-N	-1	1	388.686	2.927	20	70		GFIDMM
CC[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000161022528	551588890	/nfs/dbraw/zinc/58/88/90/551588890.db2.gz	GKINZYPILDAERL-MRVPVSSYSA-N	-1	1	388.686	2.929	20	70		GFIDMM
CCc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1CC	ZINC000160038923	551574851	/nfs/dbraw/zinc/57/48/51/551574851.db2.gz	RERUWCCOCRPDQF-UHFFFAOYSA-N	-1	1	382.507	2.984	20	70		GFIDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)cc(C)c1F	ZINC000161048550	551589718	/nfs/dbraw/zinc/58/97/18/551589718.db2.gz	DRBFXHGSUGFYFY-UHFFFAOYSA-N	-1	1	389.445	2.927	20	70		GFIDMM
CCCc1nnc([N-]C(=O)c2cc(Cn3cc(Br)cn3)on2)s1	ZINC000160357812	551579370	/nfs/dbraw/zinc/57/93/70/551579370.db2.gz	MZJFEYNHVDSVRX-UHFFFAOYSA-N	-1	1	397.258	2.738	20	70		GFIDMM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160875819	551586658	/nfs/dbraw/zinc/58/66/58/551586658.db2.gz	OPWCCSCLGQKMAI-LLVKDONJSA-N	-1	1	388.686	2.927	20	70		GFIDMM
Cc1noc(C)c1CCS(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1	ZINC000160022277	551574202	/nfs/dbraw/zinc/57/42/02/551574202.db2.gz	GCUFRYNOZRXQCD-UHFFFAOYSA-N	-1	1	399.270	2.650	20	70		GFIDMM
Cc1noc(C)c1CCS(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1	ZINC000160022277	551574206	/nfs/dbraw/zinc/57/42/06/551574206.db2.gz	GCUFRYNOZRXQCD-UHFFFAOYSA-N	-1	1	399.270	2.650	20	70		GFIDMM
CCc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1CC	ZINC000160052167	551574566	/nfs/dbraw/zinc/57/45/66/551574566.db2.gz	WXGDGHAOYLVUIL-UHFFFAOYSA-N	-1	1	382.507	2.568	20	70		GFIDMM
NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1	ZINC000160208900	551577341	/nfs/dbraw/zinc/57/73/41/551577341.db2.gz	QXZODDIUVYYGNK-IONNQARKSA-N	-1	1	385.700	2.969	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)co1	ZINC000160322646	551578785	/nfs/dbraw/zinc/57/87/85/551578785.db2.gz	CXEKDAULAXMKSS-UHFFFAOYSA-N	-1	1	377.447	2.872	20	70		GFIDMM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160829339	551585731	/nfs/dbraw/zinc/58/57/31/551585731.db2.gz	CLZAIMUENGOGLQ-JGVFFNPUSA-N	-1	1	388.686	2.927	20	70		GFIDMM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)[nH]n1	ZINC000159889726	551572584	/nfs/dbraw/zinc/57/25/84/551572584.db2.gz	NAKGXDHZPLPMKV-LBPRGKRZSA-N	-1	1	385.511	2.908	20	70		GFIDMM
CC(C)[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160852581	551586273	/nfs/dbraw/zinc/58/62/73/551586273.db2.gz	GFVITYQXYNOAJU-LLVKDONJSA-N	-1	1	388.686	2.927	20	70		GFIDMM
O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1c(Cl)cc(F)cc1Br	ZINC000161059395	551589673	/nfs/dbraw/zinc/58/96/73/551589673.db2.gz	UUJSIZVGNVNOGB-ONOSFVFSSA-N	-1	1	384.654	2.840	20	70		GFIDMM
CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c1	ZINC000159648074	551568533	/nfs/dbraw/zinc/56/85/33/551568533.db2.gz	SJHDELSDVLDOPG-UHFFFAOYSA-N	-1	1	380.447	2.731	20	70		GFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)n[nH]1	ZINC000159936483	551573049	/nfs/dbraw/zinc/57/30/49/551573049.db2.gz	REZBXCQJWHDYQQ-UHFFFAOYSA-N	-1	1	391.902	2.610	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)co1	ZINC000159989709	551574212	/nfs/dbraw/zinc/57/42/12/551574212.db2.gz	NLROTEBTOPYLCC-UHFFFAOYSA-N	-1	1	389.260	2.693	20	70		GFIDMM
CCCCN(C(=O)c1ccc(Br)c([O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000161506512	551595118	/nfs/dbraw/zinc/59/51/18/551595118.db2.gz	KHUMYUGMVFAQFT-GFCCVEGCSA-N	-1	1	390.299	2.584	20	70		GFIDMM
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCOC1	ZINC000160864400	551586421	/nfs/dbraw/zinc/58/64/21/551586421.db2.gz	CQALBGKTNMHZKS-SFYZADRCSA-N	-1	1	386.670	2.945	20	70		GFIDMM
CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1	ZINC000160229322	551577832	/nfs/dbraw/zinc/57/78/32/551577832.db2.gz	RZEVMINWMSPMGB-YPMHNXCESA-N	-1	1	383.286	2.968	20	70		GFIDMM
CNS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)co1	ZINC000159906859	551573055	/nfs/dbraw/zinc/57/30/55/551573055.db2.gz	BTJDXFBPQCDAKT-UHFFFAOYSA-N	-1	1	398.853	2.612	20	70		GFIDMM
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1	ZINC000160229773	551577693	/nfs/dbraw/zinc/57/76/93/551577693.db2.gz	RZEVMINWMSPMGB-WCQYABFASA-N	-1	1	383.286	2.968	20	70		GFIDMM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c(C)n1	ZINC000160671210	551583704	/nfs/dbraw/zinc/58/37/04/551583704.db2.gz	UBPYBLZUEBSISS-UHFFFAOYSA-N	-1	1	387.255	2.971	20	70		GFIDMM
C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C[C@H](C)O	ZINC000160829725	551585914	/nfs/dbraw/zinc/58/59/14/551585914.db2.gz	CLZAIMUENGOGLQ-SFYZADRCSA-N	-1	1	388.686	2.927	20	70		GFIDMM
NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1	ZINC000160209273	551577270	/nfs/dbraw/zinc/57/72/70/551577270.db2.gz	QXZODDIUVYYGNK-APPZFPTMSA-N	-1	1	385.700	2.969	20	70		GFIDMM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160829453	551585738	/nfs/dbraw/zinc/58/57/38/551585738.db2.gz	CLZAIMUENGOGLQ-HTQZYQBOSA-N	-1	1	388.686	2.927	20	70		GFIDMM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[nH]n1	ZINC000159888378	551572648	/nfs/dbraw/zinc/57/26/48/551572648.db2.gz	JHWUGPOIARZPIT-JTQLQIEISA-N	-1	1	389.474	2.657	20	70		GFIDMM
CC(C)c1cc([N-]S(=O)(=O)c2cccc(I)c2)[nH]n1	ZINC000160640694	551583774	/nfs/dbraw/zinc/58/37/74/551583774.db2.gz	MEWKKTXCWOPDRT-UHFFFAOYSA-N	-1	1	391.234	2.939	20	70		GFIDMM
CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160807071	551585847	/nfs/dbraw/zinc/58/58/47/551585847.db2.gz	MVKARAAXDGVUGD-JTQLQIEISA-N	-1	1	388.686	2.927	20	70		GFIDMM
O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1cc(Br)c(F)cc1F	ZINC000161369691	551594139	/nfs/dbraw/zinc/59/41/39/551594139.db2.gz	VATWZYYWHXDKSN-KYZUINATSA-N	-1	1	384.242	2.557	20	70		GFIDMM
O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160772958	551585196	/nfs/dbraw/zinc/58/51/96/551585196.db2.gz	SSKUDVHLBGXEMY-WDEREUQCSA-N	-1	1	386.670	2.823	20	70		GFIDMM
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(I)ccc1[O-]	ZINC000159397353	551564461	/nfs/dbraw/zinc/56/44/61/551564461.db2.gz	IXQFRLWYDVXEEM-RISCZKNCSA-N	-1	1	387.217	2.684	20	70		GFIDMM
O=S(=O)([N-]C[C@H]1CCC[C@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160880738	551587013	/nfs/dbraw/zinc/58/70/13/551587013.db2.gz	WVUNMSVUHFCJJC-RDDDGLTNSA-N	-1	1	386.670	2.681	20	70		GFIDMM
CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160809851	551585589	/nfs/dbraw/zinc/58/55/89/551585589.db2.gz	VCNLQUCDPPCWBT-RDDDGLTNSA-N	-1	1	388.686	2.927	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)co1	ZINC000160939010	551587858	/nfs/dbraw/zinc/58/78/58/551587858.db2.gz	UMFARVFKWHPEJY-GFCCVEGCSA-N	-1	1	386.882	2.808	20	70		GFIDMM
Cc1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c(F)cc1F	ZINC000160861799	551586167	/nfs/dbraw/zinc/58/61/67/551586167.db2.gz	BPDZYUVYUPONLI-UHFFFAOYSA-N	-1	1	385.783	2.703	20	70		GFIDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1	ZINC000161049106	551589768	/nfs/dbraw/zinc/58/97/68/551589768.db2.gz	BZQHDLKJWSLEAY-UHFFFAOYSA-N	-1	1	395.836	2.964	20	70		GFIDMM
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)sc1Br	ZINC000160252379	551577771	/nfs/dbraw/zinc/57/77/71/551577771.db2.gz	OAGJBZJQYKJSQK-UHFFFAOYSA-N	-1	1	397.703	2.972	20	70		GFIDMM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160829589	551585811	/nfs/dbraw/zinc/58/58/11/551585811.db2.gz	CLZAIMUENGOGLQ-YUMQZZPRSA-N	-1	1	388.686	2.927	20	70		GFIDMM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160875950	551587040	/nfs/dbraw/zinc/58/70/40/551587040.db2.gz	OPWCCSCLGQKMAI-NSHDSACASA-N	-1	1	388.686	2.927	20	70		GFIDMM
COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1	ZINC000161184176	551591329	/nfs/dbraw/zinc/59/13/29/551591329.db2.gz	OQQRPUZWEKXZDE-LLVKDONJSA-N	-1	1	386.670	2.945	20	70		GFIDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)ccc1F	ZINC000161050313	551589587	/nfs/dbraw/zinc/58/95/87/551589587.db2.gz	LCMAWOJPRRXQLV-UHFFFAOYSA-N	-1	1	375.418	2.619	20	70		GFIDMM
O=S(=O)([N-]CCSCCCO)c1c(Cl)cccc1C(F)(F)F	ZINC000161325686	551592725	/nfs/dbraw/zinc/59/27/25/551592725.db2.gz	HJTSGKXIRWCJPO-UHFFFAOYSA-N	-1	1	377.837	2.753	20	70		GFIDMM
CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160810253	551585926	/nfs/dbraw/zinc/58/59/26/551585926.db2.gz	VCNLQUCDPPCWBT-CPCISQLKSA-N	-1	1	388.686	2.927	20	70		GFIDMM
O=C(c1cc(Br)ccc1[O-])N1CCC(N2CCCCC2=O)CC1	ZINC000159456119	551565058	/nfs/dbraw/zinc/56/50/58/551565058.db2.gz	BVPOYQNQAVHLTO-UHFFFAOYSA-N	-1	1	381.270	2.772	20	70		GFIDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000161048385	551589556	/nfs/dbraw/zinc/58/95/56/551589556.db2.gz	PEUPKEFSWWPKLI-UHFFFAOYSA-N	-1	1	383.466	2.660	20	70		GFIDMM
CCCCN(C(=O)c1ccc(Br)c([O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000161506642	551594846	/nfs/dbraw/zinc/59/48/46/551594846.db2.gz	KHUMYUGMVFAQFT-LBPRGKRZSA-N	-1	1	390.299	2.584	20	70		GFIDMM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c(F)c1	ZINC000160604909	551583519	/nfs/dbraw/zinc/58/35/19/551583519.db2.gz	ZAXIYROSGYGXRP-UHFFFAOYSA-N	-1	1	390.502	2.542	20	70		GFIDMM
O=S(=O)([N-][C@H]1CCCC[C@@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160772701	551585414	/nfs/dbraw/zinc/58/54/14/551585414.db2.gz	SSKUDVHLBGXEMY-QWRGUYRKSA-N	-1	1	386.670	2.823	20	70		GFIDMM
NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1	ZINC000160209032	551577360	/nfs/dbraw/zinc/57/73/60/551577360.db2.gz	QXZODDIUVYYGNK-CBAPKCEASA-N	-1	1	385.700	2.969	20	70		GFIDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCOC1	ZINC000160864299	551586401	/nfs/dbraw/zinc/58/64/01/551586401.db2.gz	CQALBGKTNMHZKS-YUMQZZPRSA-N	-1	1	386.670	2.945	20	70		GFIDMM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000161022391	551589134	/nfs/dbraw/zinc/58/91/34/551589134.db2.gz	GKINZYPILDAERL-QMMMGPOBSA-N	-1	1	388.686	2.929	20	70		GFIDMM
CCCc1cc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)n[nH]1	ZINC000159664728	551568982	/nfs/dbraw/zinc/56/89/82/551568982.db2.gz	RWOJZRZSEABKKS-UHFFFAOYSA-N	-1	1	387.303	2.992	20	70		GFIDMM
O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cccc(Cl)c1F	ZINC000159810893	551571643	/nfs/dbraw/zinc/57/16/43/551571643.db2.gz	BTVGEXDIVOIMMR-UHFFFAOYSA-N	-1	1	384.816	2.878	20	70		GFIDMM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[nH]n1	ZINC000159877362	551572728	/nfs/dbraw/zinc/57/27/28/551572728.db2.gz	WZCJBAIXZUUKTP-NSHDSACASA-N	-1	1	385.511	2.826	20	70		GFIDMM
O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1c(Cl)cc(Cl)cc1Cl	ZINC000160695319	551584091	/nfs/dbraw/zinc/58/40/91/551584091.db2.gz	RJGVJAWUSYISSC-SNVBAGLBSA-N	-1	1	388.700	2.713	20	70		GFIDMM
O=C(NCCc1ccc(O)cc1)c1cc(I)ccc1[O-]	ZINC000217896827	553053256	/nfs/dbraw/zinc/05/32/56/553053256.db2.gz	KWFLBXBTZKLYJU-UHFFFAOYSA-N	-1	1	383.185	2.675	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)co1	ZINC000159551759	551566900	/nfs/dbraw/zinc/56/69/00/551566900.db2.gz	BBCBONZUDKZRCL-UHFFFAOYSA-N	-1	1	377.447	2.872	20	70		GFIDMM
O=S(=O)([N-]CCCn1cccn1)c1c(Cl)cc(F)cc1Br	ZINC000159825068	551571317	/nfs/dbraw/zinc/57/13/17/551571317.db2.gz	AIRRMNRJIVJJMT-UHFFFAOYSA-N	-1	1	396.669	2.807	20	70		GFIDMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1Br	ZINC000160929948	551587463	/nfs/dbraw/zinc/58/74/63/551587463.db2.gz	ODEAUIWMNFNWNH-UHFFFAOYSA-N	-1	1	399.266	2.748	20	70		GFIDMM
CC(C)c1nnc([N-]C(=O)c2cc(Cn3cc(Br)cn3)on2)s1	ZINC000160362525	551579384	/nfs/dbraw/zinc/57/93/84/551579384.db2.gz	GCCBTZDPADQLKB-UHFFFAOYSA-N	-1	1	397.258	2.909	20	70		GFIDMM
O=C(c1ccc(Br)cc1[O-])N1CCC(N2CCCCC2=O)CC1	ZINC000160497150	551581023	/nfs/dbraw/zinc/58/10/23/551581023.db2.gz	GPPIWKCDRPNOIF-UHFFFAOYSA-N	-1	1	381.270	2.772	20	70		GFIDMM
O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc(I)ccc1[O-]	ZINC000159397423	551564455	/nfs/dbraw/zinc/56/44/55/551564455.db2.gz	IXQFRLWYDVXEEM-FZMZJTMJSA-N	-1	1	387.217	2.684	20	70		GFIDMM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[nH]n1	ZINC000159881604	551572557	/nfs/dbraw/zinc/57/25/57/551572557.db2.gz	KRZLIGOOMGEQDO-GFCCVEGCSA-N	-1	1	385.511	2.659	20	70		GFIDMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)cc1CC	ZINC000159990296	551574391	/nfs/dbraw/zinc/57/43/91/551574391.db2.gz	HKHWCWGDHFKWNL-UHFFFAOYSA-N	-1	1	382.507	2.568	20	70		GFIDMM
CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160852692	551586394	/nfs/dbraw/zinc/58/63/94/551586394.db2.gz	GFVITYQXYNOAJU-NSHDSACASA-N	-1	1	388.686	2.927	20	70		GFIDMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1CS(C)(=O)=O	ZINC000161048091	551589744	/nfs/dbraw/zinc/58/97/44/551589744.db2.gz	CCAVUTYZBKVDCT-UHFFFAOYSA-N	-1	1	375.418	2.619	20	70		GFIDMM
COc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C	ZINC000159673097	551569238	/nfs/dbraw/zinc/56/92/38/551569238.db2.gz	GDAXNCIKOCGZNV-UHFFFAOYSA-N	-1	1	381.523	2.618	20	70		GFIDMM
CCc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1CC	ZINC000160060598	551574741	/nfs/dbraw/zinc/57/47/41/551574741.db2.gz	RTJAWCLIJMRDOV-UHFFFAOYSA-N	-1	1	382.507	2.568	20	70		GFIDMM
O=S(=O)([N-]C[C@@H]1CCC[C@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160880610	551586629	/nfs/dbraw/zinc/58/66/29/551586629.db2.gz	WVUNMSVUHFCJJC-WRWORJQWSA-N	-1	1	386.670	2.681	20	70		GFIDMM
CCc1c([N-]S(=O)(=O)CCOC)n[nH]c1-c1ccc(Br)cc1	ZINC000160965016	551588754	/nfs/dbraw/zinc/58/87/54/551588754.db2.gz	PWBDGJUDVARWMW-UHFFFAOYSA-N	-1	1	388.287	2.790	20	70		GFIDMM
CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1	ZINC000160505230	551581570	/nfs/dbraw/zinc/58/15/70/551581570.db2.gz	QWUNBZCPCGGHIZ-UHFFFAOYSA-N	-1	1	376.726	2.823	20	70		GFIDMM
COC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1	ZINC000161184060	551591018	/nfs/dbraw/zinc/59/10/18/551591018.db2.gz	OQQRPUZWEKXZDE-NSHDSACASA-N	-1	1	386.670	2.945	20	70		GFIDMM
CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160806964	551585641	/nfs/dbraw/zinc/58/56/41/551585641.db2.gz	MVKARAAXDGVUGD-SNVBAGLBSA-N	-1	1	388.686	2.927	20	70		GFIDMM
O=S(=O)([N-]C[C@@H]1CCC[C@@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160880291	551586738	/nfs/dbraw/zinc/58/67/38/551586738.db2.gz	WVUNMSVUHFCJJC-CPCISQLKSA-N	-1	1	386.670	2.681	20	70		GFIDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000161047281	551589595	/nfs/dbraw/zinc/58/95/95/551589595.db2.gz	LRUWUGLRINZMJL-UHFFFAOYSA-N	-1	1	377.846	2.825	20	70		GFIDMM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c(F)c1Cl	ZINC000160472710	551580884	/nfs/dbraw/zinc/58/08/84/551580884.db2.gz	HJZYNCYXCKUKBL-UHFFFAOYSA-N	-1	1	378.788	2.717	20	70		GFIDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCOC1	ZINC000160864075	551586451	/nfs/dbraw/zinc/58/64/51/551586451.db2.gz	CQALBGKTNMHZKS-JGVFFNPUSA-N	-1	1	386.670	2.945	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)co1	ZINC000160939136	551587894	/nfs/dbraw/zinc/58/78/94/551587894.db2.gz	UMFARVFKWHPEJY-LBPRGKRZSA-N	-1	1	386.882	2.808	20	70		GFIDMM
CCCCc1cc([N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)[nH]n1	ZINC000159956302	551573519	/nfs/dbraw/zinc/57/35/19/551573519.db2.gz	IJNIYNXIUUFORH-UHFFFAOYSA-N	-1	1	385.511	2.573	20	70		GFIDMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1Br	ZINC000160966995	551588527	/nfs/dbraw/zinc/58/85/27/551588527.db2.gz	QGBWHETXIDGSCV-UHFFFAOYSA-N	-1	1	399.266	2.748	20	70		GFIDMM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[nH]n1	ZINC000159888260	551572664	/nfs/dbraw/zinc/57/26/64/551572664.db2.gz	JHWUGPOIARZPIT-SNVBAGLBSA-N	-1	1	389.474	2.657	20	70		GFIDMM
CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160810125	551585857	/nfs/dbraw/zinc/58/58/57/551585857.db2.gz	VCNLQUCDPPCWBT-HQJQHLMTSA-N	-1	1	388.686	2.927	20	70		GFIDMM
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(I)ccc1[O-]	ZINC000159397576	551564588	/nfs/dbraw/zinc/56/45/88/551564588.db2.gz	IXQFRLWYDVXEEM-SMDDNHRTSA-N	-1	1	387.217	2.684	20	70		GFIDMM
O=S(=O)([N-]Cc1ccccc1CO)c1cc(Br)c(F)cc1F	ZINC000159770993	551571096	/nfs/dbraw/zinc/57/10/96/551571096.db2.gz	DOPMSLOQULUKFR-UHFFFAOYSA-N	-1	1	392.221	2.698	20	70		GFIDMM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[nH]n1	ZINC000159877224	551572523	/nfs/dbraw/zinc/57/25/23/551572523.db2.gz	WZCJBAIXZUUKTP-LLVKDONJSA-N	-1	1	385.511	2.826	20	70		GFIDMM
CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160809981	551585787	/nfs/dbraw/zinc/58/57/87/551585787.db2.gz	VCNLQUCDPPCWBT-WRWORJQWSA-N	-1	1	388.686	2.927	20	70		GFIDMM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)[nH]n1	ZINC000159889584	551572620	/nfs/dbraw/zinc/57/26/20/551572620.db2.gz	NAKGXDHZPLPMKV-GFCCVEGCSA-N	-1	1	385.511	2.908	20	70		GFIDMM
NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1	ZINC000160209142	551577408	/nfs/dbraw/zinc/57/74/08/551577408.db2.gz	QXZODDIUVYYGNK-VXNVDRBHSA-N	-1	1	385.700	2.969	20	70		GFIDMM
O=S(=O)([N-][C@@H]1CCCC[C@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160772831	551585243	/nfs/dbraw/zinc/58/52/43/551585243.db2.gz	SSKUDVHLBGXEMY-GHMZBOCLSA-N	-1	1	386.670	2.823	20	70		GFIDMM
O=S(=O)([N-][C@@H]1CCCC[C@@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160772565	551585476	/nfs/dbraw/zinc/58/54/76/551585476.db2.gz	SSKUDVHLBGXEMY-MNOVXSKESA-N	-1	1	386.670	2.823	20	70		GFIDMM
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1CS(C)(=O)=O	ZINC000161054969	551589778	/nfs/dbraw/zinc/58/97/78/551589778.db2.gz	DWQBKZQHIUWYST-UHFFFAOYSA-N	-1	1	375.418	2.619	20	70		GFIDMM
O=S(=O)([N-]C[C@H](O)COCC1CC1)c1c(Cl)cc(Cl)cc1Cl	ZINC000160695195	551584437	/nfs/dbraw/zinc/58/44/37/551584437.db2.gz	RJGVJAWUSYISSC-JTQLQIEISA-N	-1	1	388.700	2.713	20	70		GFIDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000161052149	551589747	/nfs/dbraw/zinc/58/97/47/551589747.db2.gz	UNHSQZFIBMVQQT-UHFFFAOYSA-N	-1	1	377.846	2.825	20	70		GFIDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)cc1F	ZINC000161049248	551589755	/nfs/dbraw/zinc/58/97/55/551589755.db2.gz	PZRMSKZQYPWIIE-UHFFFAOYSA-N	-1	1	375.418	2.619	20	70		GFIDMM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C(=O)OC)ccc1Cl	ZINC000159601892	551567974	/nfs/dbraw/zinc/56/79/74/551567974.db2.gz	FTVMPOSUPXPFDT-UHFFFAOYSA-N	-1	1	385.873	2.786	20	70		GFIDMM
CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1	ZINC000160229464	551577876	/nfs/dbraw/zinc/57/78/76/551577876.db2.gz	RZEVMINWMSPMGB-AAEUAGOBSA-N	-1	1	383.286	2.968	20	70		GFIDMM
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1	ZINC000160229610	551577984	/nfs/dbraw/zinc/57/79/84/551577984.db2.gz	RZEVMINWMSPMGB-DGCLKSJQSA-N	-1	1	383.286	2.968	20	70		GFIDMM
Cn1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc(Cl)c1=O	ZINC000160263753	551578106	/nfs/dbraw/zinc/57/81/06/551578106.db2.gz	AYRPANRQWZZRGW-UHFFFAOYSA-N	-1	1	395.637	2.741	20	70		GFIDMM
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCOC1	ZINC000160864180	551586205	/nfs/dbraw/zinc/58/62/05/551586205.db2.gz	CQALBGKTNMHZKS-HTQZYQBOSA-N	-1	1	386.670	2.945	20	70		GFIDMM
Cc1nc(CN2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cs1	ZINC000159442918	551565319	/nfs/dbraw/zinc/56/53/19/551565319.db2.gz	WNOQRJQBDFOZNI-UHFFFAOYSA-N	-1	1	396.310	2.878	20	70		GFIDMM
CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2sccc2OC)CC1	ZINC000159674831	551569282	/nfs/dbraw/zinc/56/92/82/551569282.db2.gz	MDYXTCIPNKPJGG-UHFFFAOYSA-N	-1	1	381.523	2.699	20	70		GFIDMM
O=S(=O)([N-]C[C@H]1CCC[C@@H]1O)c1c(Cl)cc(F)cc1Br	ZINC000160880442	551586942	/nfs/dbraw/zinc/58/69/42/551586942.db2.gz	WVUNMSVUHFCJJC-HQJQHLMTSA-N	-1	1	386.670	2.681	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(-c3cc(Br)cs3)no2)co1	ZINC000161492169	551595000	/nfs/dbraw/zinc/59/50/00/551595000.db2.gz	OWHIJARZPTWEOK-UHFFFAOYSA-N	-1	1	390.240	2.729	20	70		GFIDMM
O=S(=O)([N-]CC1(O)CCCCC1)c1cc(Br)c(F)cc1F	ZINC000159822082	551571558	/nfs/dbraw/zinc/57/15/58/551571558.db2.gz	AETLYHKLCSCSRY-UHFFFAOYSA-N	-1	1	384.242	2.701	20	70		GFIDMM
CCc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1CC	ZINC000160047246	551574592	/nfs/dbraw/zinc/57/45/92/551574592.db2.gz	OJACUVJWERLSGE-UHFFFAOYSA-N	-1	1	382.507	2.984	20	70		GFIDMM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160772297	551585538	/nfs/dbraw/zinc/58/55/38/551585538.db2.gz	IUEACHRVJDERPV-VIFPVBQESA-N	-1	1	388.686	2.927	20	70		GFIDMM
Cc1ccc(Br)c(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1	ZINC000159551794	551566769	/nfs/dbraw/zinc/56/67/69/551566769.db2.gz	CLKMWVOSSNVQFW-UHFFFAOYSA-N	-1	1	380.242	2.657	20	70		GFIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(Br)c3)no2)co1	ZINC000161368355	551594052	/nfs/dbraw/zinc/59/40/52/551594052.db2.gz	FCLOXWDQKOQPIT-UHFFFAOYSA-N	-1	1	384.211	2.667	20	70		GFIDMM
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(I)ccc1[O-]	ZINC000159397502	551564862	/nfs/dbraw/zinc/56/48/62/551564862.db2.gz	IXQFRLWYDVXEEM-BXUZGUMPSA-N	-1	1	387.217	2.684	20	70		GFIDMM
Cc1cccc(Cl)c1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000161073049	551590292	/nfs/dbraw/zinc/59/02/92/551590292.db2.gz	RXVOYYIRMHXPCA-UHFFFAOYSA-N	-1	1	392.861	2.960	20	70		GFIDMM