smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2oc3cc(OC)c(OC)c(=O)c-3c([O-])c2O)cc1O	ZINC000005733650	204223026	/nfs/dbraw/zinc/22/30/26/204223026.db2.gz	ZZEQOHMDRQUMMH-UHFFFAOYSA-N	-1	1	360.318	2.603	40	0	biogenic,in-vitro	FFABMM
COc1ccc(-c2oc3cc(OC)c(OC)c([O-])c3c(=O)c2O)cc1O	ZINC000005733650	204223031	/nfs/dbraw/zinc/22/30/31/204223031.db2.gz	ZZEQOHMDRQUMMH-UHFFFAOYSA-N	-1	1	360.318	2.603	40	0	biogenic,in-vitro	FFABMM
O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)ccc21	ZINC000226860340	206123310	/nfs/dbraw/zinc/12/33/10/206123310.db2.gz	PVFFLHURUZNZIR-UHFFFAOYSA-N	-1	1	352.371	2.524	40	0		FFABMM
CS(=O)(=O)Nc1ccc(-c2n[n-]c(=S)n2Cc2ccco2)cc1	ZINC000005447755	206195789	/nfs/dbraw/zinc/19/57/89/206195789.db2.gz	ZBPOVSVUFKAGRY-UHFFFAOYSA-N	-1	1	350.425	2.620	40	0		FFABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1	ZINC000032585875	263392950	/nfs/dbraw/zinc/39/29/50/263392950.db2.gz	PZKZBWSQMLMASS-UHFFFAOYSA-N	-1	1	353.371	2.812	40	0		FFABMM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1	ZINC000004884970	506402869	/nfs/dbraw/zinc/40/28/69/506402869.db2.gz	JHXYQAZRVOBOQW-UHFFFAOYSA-N	-1	1	360.435	2.795	40	0		FFABMM
CCOc1ccc(Nc2nc(CSc3ncccn3)cc(=O)[n-]2)cc1	ZINC000013637048	506947841	/nfs/dbraw/zinc/94/78/41/506947841.db2.gz	YMMCJYALNUYSQC-UHFFFAOYSA-N	-1	1	355.423	2.995	40	0		FFABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1ccc3ccccc3n1)C2	ZINC000019376335	507169520	/nfs/dbraw/zinc/16/95/20/507169520.db2.gz	WFQOBJINWUPYJP-UHFFFAOYSA-N	-1	1	369.428	2.938	40	0		FFABMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1	ZINC000100257487	508239099	/nfs/dbraw/zinc/23/90/99/508239099.db2.gz	JHVAFDQAKMFLDH-IRXDYDNUSA-N	-1	1	353.374	2.532	40	0		FFABMM
O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cnn([C@@H]2CCOC2)c1	ZINC000132819330	509079171	/nfs/dbraw/zinc/07/91/71/509079171.db2.gz	KVARMYQTKIRGCQ-MRVPVSSYSA-N	-1	1	363.773	2.577	40	0		FFABMM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)c(Cl)cc21	ZINC000223344841	509335376	/nfs/dbraw/zinc/33/53/76/509335376.db2.gz	QQBQLEOJULNFOQ-UHFFFAOYSA-N	-1	1	374.752	2.864	40	0		FFABMM
CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000223303521	509335676	/nfs/dbraw/zinc/33/56/76/509335676.db2.gz	LSDWLNKXSCYICL-UHFFFAOYSA-N	-1	1	368.842	2.608	40	0		FFABMM
CCOc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1	ZINC000252585557	509852814	/nfs/dbraw/zinc/85/28/14/509852814.db2.gz	JLBCAUVNWUHMBR-WRWLIDTKSA-N	-1	1	374.437	2.521	40	0		FFABMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000042665533	205097730	/nfs/dbraw/zinc/09/77/30/205097730.db2.gz	POZZXJWLMDXLIW-UHFFFAOYSA-N	-1	1	353.465	2.762	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1N1CCCC1=O	ZINC000113949657	206092414	/nfs/dbraw/zinc/09/24/14/206092414.db2.gz	RJNISHVCDGEUSC-UHFFFAOYSA-N	-1	1	364.398	2.762	40	0		FFABMM
COC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000010328410	506739268	/nfs/dbraw/zinc/73/92/68/506739268.db2.gz	MOHCMCZIZQTVHO-ZDUSSCGKSA-N	-1	1	362.451	2.561	40	0		FFABMM
Cc1cccc(CN2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)n1	ZINC000100752962	508240116	/nfs/dbraw/zinc/24/01/16/508240116.db2.gz	CARTUYZYGKSOSQ-UHFFFAOYSA-N	-1	1	351.454	2.994	40	0		FFABMM
CC(C)(C)OCN[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000390823314	518876082	/nfs/dbraw/zinc/87/60/82/518876082.db2.gz	YYHLKUBILYKIMO-MRXNPFEDSA-N	-1	1	366.458	2.899	40	0		FFABMM
Nc1nc(N2CCCC2)[n-]c(=O)c1C(=S)Nc1ccc2ccccc2c1	ZINC000040385675	205068141	/nfs/dbraw/zinc/06/81/41/205068141.db2.gz	UWLLQZUUXMCUPV-UHFFFAOYSA-N	-1	1	365.462	2.893	40	0		FFABMM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1	ZINC000041153007	205088891	/nfs/dbraw/zinc/08/88/91/205088891.db2.gz	RFAILUIPKCEHSQ-UHFFFAOYSA-N	-1	1	361.398	2.971	40	0		FFABMM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1	ZINC000045866089	205125865	/nfs/dbraw/zinc/12/58/65/205125865.db2.gz	BLTLPVYGKJWJOS-UHFFFAOYSA-N	-1	1	363.819	2.683	40	0		FFABMM
Cc1ccc(C)n1NC(=O)c1ccc(I)c([O-])c1	ZINC000020131515	206331114	/nfs/dbraw/zinc/33/11/14/206331114.db2.gz	ISHQPJMSBMFSGR-UHFFFAOYSA-N	-1	1	356.163	2.799	40	0		FFABMM
CC1(C)Cc2cc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)ccc2O1	ZINC000332273550	258222652	/nfs/dbraw/zinc/22/26/52/258222652.db2.gz	WZPVWURUTONCNF-UHFFFAOYSA-N	-1	1	361.345	2.943	40	0		FFABMM
Cc1nnc(SC(=Cc2cc(Br)c(N(C)C)o2)C(=O)[O-])[nH]1	ZINC000008272175	506636393	/nfs/dbraw/zinc/63/63/93/506636393.db2.gz	VGKDUCABOFIXBI-UITAMQMPSA-N	-1	1	373.232	2.752	40	0		FFABMM
Cc1nc(SC(=Cc2cc(Br)c(N(C)C)o2)C(=O)[O-])n[nH]1	ZINC000008272175	506636399	/nfs/dbraw/zinc/63/63/99/506636399.db2.gz	VGKDUCABOFIXBI-UITAMQMPSA-N	-1	1	373.232	2.752	40	0		FFABMM
CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000018708125	507151489	/nfs/dbraw/zinc/15/14/89/507151489.db2.gz	ZBVCANYZMTYRTO-UHFFFAOYSA-N	-1	1	368.480	2.566	40	0		FFABMM
O=c1cc(CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc[nH]1	ZINC000257277505	509970712	/nfs/dbraw/zinc/97/07/12/509970712.db2.gz	NYFRUQSYXMXBND-KRWDZBQOSA-N	-1	1	350.422	2.564	40	0		FFABMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1NC(C)=O	ZINC000408560482	513086926	/nfs/dbraw/zinc/08/69/26/513086926.db2.gz	PGBPNEAKLHVQCS-UHFFFAOYSA-N	-1	1	352.387	2.984	40	0		FFABMM
CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2cc3ccccc3[nH]2)C1	ZINC000002527363	204043536	/nfs/dbraw/zinc/04/35/36/204043536.db2.gz	ZAVFIAZABDJRIZ-CZUORRHYSA-N	-1	1	359.426	2.893	40	0		FFABMM
Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)o1	ZINC000004111879	204122106	/nfs/dbraw/zinc/12/21/06/204122106.db2.gz	BXZOMEVXBOXWEF-ZENOOKHLSA-N	-1	1	368.311	2.692	40	0		FFABMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000005457542	204209714	/nfs/dbraw/zinc/20/97/14/204209714.db2.gz	JHVAFDQAKMFLDH-DLBZAZTESA-N	-1	1	353.374	2.532	40	0		FFABMM
Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3CCC(=O)[O-])n2)n1	ZINC000072384684	205524993	/nfs/dbraw/zinc/52/49/93/205524993.db2.gz	LUBQOBWEQFEBFN-CQSZACIVSA-N	-1	1	356.430	2.547	40	0		FFABMM
Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)NCc3ccccc3)c(=O)c12	ZINC000007424083	206208788	/nfs/dbraw/zinc/20/87/88/206208788.db2.gz	FTHXSOOVQRVANW-UHFFFAOYSA-N	-1	1	358.401	2.952	40	0		FFABMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c1	ZINC000015420892	206316521	/nfs/dbraw/zinc/31/65/21/206316521.db2.gz	IFRVHWWYJTYVIL-UHFFFAOYSA-N	-1	1	374.462	2.577	40	0		FFABMM
COc1ccc(CNn2c(=S)[n-]nc2-c2ccncc2)c(OC)c1OC	ZINC000008473564	263355090	/nfs/dbraw/zinc/35/50/90/263355090.db2.gz	WVEGHJWPTZYNIE-UHFFFAOYSA-N	-1	1	373.438	2.772	40	0		FFABMM
COCCN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O	ZINC000409148269	263534593	/nfs/dbraw/zinc/53/45/93/263534593.db2.gz	YBAUFIGPDRZPSW-YRNVUSSQSA-N	-1	1	358.213	2.837	40	0		FFABMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn4cnnc4s3)c2)cc1	ZINC000020609573	507228984	/nfs/dbraw/zinc/22/89/84/507228984.db2.gz	IEALBLOMTOEIDD-UHFFFAOYSA-N	-1	1	371.447	2.962	40	0		FFABMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)c1	ZINC000021005584	507241441	/nfs/dbraw/zinc/24/14/41/507241441.db2.gz	VVXYYHSNWOIGTL-QGZVFWFLSA-N	-1	1	374.462	2.705	40	0		FFABMM
CCOc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101324	508174126	/nfs/dbraw/zinc/17/41/26/508174126.db2.gz	JLBCAUVNWUHMBR-SYNHAJSKSA-N	-1	1	374.437	2.521	40	0		FFABMM
Cc1ccc(-c2csc(NC(=O)CSc3nccc(=O)[n-]3)n2)cc1	ZINC000144728116	508840471	/nfs/dbraw/zinc/84/04/71/508840471.db2.gz	JHPOBIOKRTVZGM-UHFFFAOYSA-N	-1	1	358.448	2.933	40	0		FFABMM
O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cnn([C@H]2CCOC2)c1	ZINC000132819539	509078965	/nfs/dbraw/zinc/07/89/65/509078965.db2.gz	KVARMYQTKIRGCQ-QMMMGPOBSA-N	-1	1	363.773	2.577	40	0		FFABMM
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)cc1C(N)=O	ZINC000223282499	509332680	/nfs/dbraw/zinc/33/26/80/509332680.db2.gz	PSIQFUPNGATBDS-UHFFFAOYSA-N	-1	1	370.434	2.593	40	0		FFABMM
COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)CC(C)(C)O2	ZINC000224261383	509354883	/nfs/dbraw/zinc/35/48/83/509354883.db2.gz	WVZRNDMVPLHGQA-AWEZNQCLSA-N	-1	1	366.439	2.881	40	0		FFABMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1Br)CC(=O)N2	ZINC000004944223	206183355	/nfs/dbraw/zinc/18/33/55/206183355.db2.gz	VDXDDNSKCODASB-QMMMGPOBSA-N	-1	1	366.240	2.728	40	0		FFABMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(Br)c2)n1	ZINC000004945273	206185018	/nfs/dbraw/zinc/18/50/18/206185018.db2.gz	UABGRPFSTPZCJJ-UHFFFAOYSA-N	-1	1	368.256	2.826	40	0		FFABMM
COc1cc(-c2coc3cc4c(c([O-])c3c2=O)OCO4)cc(O)c1OC	ZINC000014437440	506990938	/nfs/dbraw/zinc/99/09/38/506990938.db2.gz	PFFOGGCBLWTCPM-UHFFFAOYSA-N	-1	1	358.302	2.617	40	0	biogenic,in-vitro	FFABMM
COc1cc(-c2coc3cc4c(c(=O)c-3c2[O-])OCO4)cc(O)c1OC	ZINC000014437440	506990942	/nfs/dbraw/zinc/99/09/42/506990942.db2.gz	PFFOGGCBLWTCPM-UHFFFAOYSA-N	-1	1	358.302	2.617	40	0	biogenic,in-vitro	FFABMM
Cc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1I	ZINC000072414391	507786215	/nfs/dbraw/zinc/78/62/15/507786215.db2.gz	VMXPCZYMEDXJLL-UHFFFAOYSA-N	-1	1	374.203	2.795	40	0		FFABMM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1	ZINC000078718939	507900153	/nfs/dbraw/zinc/90/01/53/507900153.db2.gz	WUXGXXOBGGZWSQ-UHFFFAOYSA-N	-1	1	353.465	2.816	40	0		FFABMM
COc1cc(C[N-]S(=O)(=O)c2c(C)noc2C)ccc1OC(C)C	ZINC000224416233	509357957	/nfs/dbraw/zinc/35/79/57/509357957.db2.gz	AWVXHSYXCUHTLL-UHFFFAOYSA-N	-1	1	354.428	2.566	40	0		FFABMM
COc1ccc(C=C2C(=O)[N-]C(=S)N2C(=O)c2ccc(C)cc2)cc1	ZINC000000904948	206140147	/nfs/dbraw/zinc/14/01/47/206140147.db2.gz	JXYPJFKLYSPJET-LFIBNONCSA-N	-1	1	352.415	2.902	40	0	aggregator	FFABMM
O=C([O-])/C=C/c1cnc(NS(=O)(=O)c2cccc3ccccc32)nc1	ZINC000008701485	206232841	/nfs/dbraw/zinc/23/28/41/206232841.db2.gz	OYHJHTYTGITHDV-CMDGGOBGSA-N	-1	1	355.375	2.528	40	0		FFABMM
CCOc1cc(CNn2cn[n-]c2=S)cc(Br)c1OC	ZINC000008253637	506636883	/nfs/dbraw/zinc/63/68/83/506636883.db2.gz	HUZCNHUETNEBQD-UHFFFAOYSA-N	-1	1	359.249	2.854	40	0		FFABMM
CC[C@H](Sc1nc(C)cc(=O)[n-]1)C(=O)Nc1nc2c(s1)CCCC2	ZINC000008772780	506668473	/nfs/dbraw/zinc/66/84/73/506668473.db2.gz	JTDWUZNQNOVCKN-NSHDSACASA-N	-1	1	364.496	2.923	40	0	aggregator	FFABMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000012199894	506834336	/nfs/dbraw/zinc/83/43/36/506834336.db2.gz	LLPRYAPQEGQIRI-UHFFFAOYSA-N	-1	1	358.419	2.703	40	0		FFABMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N=c2sccn2C)c1	ZINC000022900192	507319717	/nfs/dbraw/zinc/31/97/17/507319717.db2.gz	OBUHOSCCHINKBA-WUKNDPDISA-N	-1	1	359.480	2.834	40	0		FFABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1	ZINC000257221129	509958970	/nfs/dbraw/zinc/95/89/70/509958970.db2.gz	DNPZVOYBTFXDQU-CYBMUJFWSA-N	-1	1	355.419	2.919	40	0		FFABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1	ZINC000257221130	509959162	/nfs/dbraw/zinc/95/91/62/509959162.db2.gz	DNPZVOYBTFXDQU-ZDUSSCGKSA-N	-1	1	355.419	2.919	40	0		FFABMM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@@]1(C)C(=Cc3c(c(C)nn3C)C1=O)O2	ZINC000001563929	204012248	/nfs/dbraw/zinc/01/22/48/204012248.db2.gz	OKYWYNLLBSPFHT-LJQANCHMSA-N	-1	1	354.362	2.538	40	0		FFABMM
O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)cc3cccc1c32	ZINC000005516138	206196204	/nfs/dbraw/zinc/19/62/04/206196204.db2.gz	WZSCYKWAGWXFKQ-UHFFFAOYSA-N	-1	1	352.371	2.524	40	0		FFABMM
O=C1[N-]C(=O)C(CCc2ccncc2)(Cc2cccc3ccccc32)C(=O)N1	ZINC000005590269	506450513	/nfs/dbraw/zinc/45/05/13/506450513.db2.gz	XIDKDVXCHBBTGT-UHFFFAOYSA-N	-1	1	373.412	2.763	40	0		FFABMM
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c1C	ZINC000006792652	506507648	/nfs/dbraw/zinc/50/76/48/506507648.db2.gz	OTSLKDSXLONIEH-UHFFFAOYSA-N	-1	1	373.796	2.506	40	0		FFABMM
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c1C	ZINC000006792652	506507653	/nfs/dbraw/zinc/50/76/53/506507653.db2.gz	OTSLKDSXLONIEH-UHFFFAOYSA-N	-1	1	373.796	2.506	40	0		FFABMM
O=C(C1CCCCC1)N1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1	ZINC000019402794	507168740	/nfs/dbraw/zinc/16/87/40/507168740.db2.gz	JAKFLCFRDAEJOW-HNNXBMFYSA-N	-1	1	352.438	2.728	40	0		FFABMM
CCOc1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101323	508173842	/nfs/dbraw/zinc/17/38/42/508173842.db2.gz	JLBCAUVNWUHMBR-RIFZZMRRSA-N	-1	1	374.437	2.521	40	0		FFABMM
COc1ccc(CN2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cc1	ZINC000100141679	508238430	/nfs/dbraw/zinc/23/84/30/508238430.db2.gz	FKJLZYKVOPNQQJ-UHFFFAOYSA-N	-1	1	350.422	2.879	40	0		FFABMM
CC1=CC[C@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1	ZINC000408650294	513090401	/nfs/dbraw/zinc/09/04/01/513090401.db2.gz	MGOSZSOHIDKEQB-PWSUYJOCSA-N	-1	1	353.205	2.980	40	0		FFABMM
Cc1ccc(CN(CCCCCC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575423355	518218073	/nfs/dbraw/zinc/21/80/73/518218073.db2.gz	ZWLOBJUFWGWNFY-QGZVFWFLSA-N	-1	1	353.484	2.629	40	0		FFABMM
CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1	ZINC000055652144	205221158	/nfs/dbraw/zinc/22/11/58/205221158.db2.gz	HGWCCSQMMGKMGN-UHFFFAOYSA-N	-1	1	364.423	2.853	40	0		FFABMM
COC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@H]1c1ccc(N(C)C)cc1	ZINC000005500402	206196238	/nfs/dbraw/zinc/19/62/38/206196238.db2.gz	RTHXFJIJBIGHJH-ZDUSSCGKSA-N	-1	1	372.450	2.503	40	0		FFABMM
CCc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1OC	ZINC000223689522	206446507	/nfs/dbraw/zinc/44/65/07/206446507.db2.gz	AWJXAKSFYZBNQZ-UHFFFAOYSA-N	-1	1	362.451	2.760	40	0		FFABMM
COc1ccc(OC)c(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c1	ZINC000019937255	220306290	/nfs/dbraw/zinc/30/62/90/220306290.db2.gz	SEQJZOKFWSJOCQ-UHFFFAOYSA-N	-1	1	351.362	2.706	40	0		FFABMM
O=C(C1CCCCC1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000012258545	506840591	/nfs/dbraw/zinc/84/05/91/506840591.db2.gz	AZLCJKKWGHYPFR-UHFFFAOYSA-N	-1	1	367.453	2.926	40	0		FFABMM
COCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000223932287	509351874	/nfs/dbraw/zinc/35/18/74/509351874.db2.gz	KUFHTFUYFRHMND-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Cl	ZINC000225144569	509365641	/nfs/dbraw/zinc/36/56/41/509365641.db2.gz	HYOVPYXXOCUSKZ-UHFFFAOYSA-N	-1	1	355.799	2.936	40	0		FFABMM
Cc1ncc(CN(C)C)c([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2)n1	ZINC000257203621	509954729	/nfs/dbraw/zinc/95/47/29/509954729.db2.gz	AQXADQOWGITYIN-SFHVURJKSA-N	-1	1	354.454	2.882	40	0		FFABMM
CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2C(=O)[O-])n1	ZINC000257272879	509971533	/nfs/dbraw/zinc/97/15/33/509971533.db2.gz	NEEXOMDKENZSTI-LJQANCHMSA-N	-1	1	353.422	2.753	40	0		FFABMM
O=C(CSc1nc(O)cc(=O)[n-]1)Nc1ccc2c3c(cccc31)CC2	ZINC000408560560	513086831	/nfs/dbraw/zinc/08/68/31/513086831.db2.gz	KUPGHXFNAWYRCJ-UHFFFAOYSA-N	-1	1	353.403	2.870	40	0		FFABMM
CCN(CC)C(=O)Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21	ZINC000409132202	513099132	/nfs/dbraw/zinc/09/91/32/513099132.db2.gz	WXVWECNQKNSQIZ-DHDCSXOGSA-N	-1	1	357.435	2.834	40	0		FFABMM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1C	ZINC000012199868	207348034	/nfs/dbraw/zinc/34/80/34/207348034.db2.gz	NDYRCGFCGSBIQJ-UHFFFAOYSA-N	-1	1	358.419	2.758	40	0		FFABMM
Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)c1	ZINC000041152784	208281788	/nfs/dbraw/zinc/28/17/88/208281788.db2.gz	PZDOKMUYSFXLLO-UHFFFAOYSA-N	-1	1	361.398	2.971	40	0		FFABMM
COc1ccc2nc(Nc3nc(C(F)(F)F)cc(=O)[n-]3)nc(C)c2c1	ZINC000004999277	263337538	/nfs/dbraw/zinc/33/75/38/263337538.db2.gz	QQMOCRIPUUWEKL-UHFFFAOYSA-N	-1	1	351.288	2.793	40	0		FFABMM
COCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000010368182	506740696	/nfs/dbraw/zinc/74/06/96/506740696.db2.gz	WUSAXMRUKNTYRF-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
CCOc1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101325	508173963	/nfs/dbraw/zinc/17/39/63/508173963.db2.gz	JLBCAUVNWUHMBR-KNBMTAEXSA-N	-1	1	374.437	2.521	40	0		FFABMM
Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3cccnc3)CC2)cc1	ZINC000408608987	513089943	/nfs/dbraw/zinc/08/99/43/513089943.db2.gz	NIDWWOPOZNRBMA-LJQANCHMSA-N	-1	1	367.449	2.754	40	0		FFABMM
CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCC(N)=O	ZINC000408735662	513092767	/nfs/dbraw/zinc/09/27/67/513092767.db2.gz	VVXBOBJXERJAIW-UHFFFAOYSA-N	-1	1	373.434	2.944	40	0		FFABMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1	ZINC000020107418	521545628	/nfs/dbraw/zinc/54/56/28/521545628.db2.gz	RSTBMXVRFOJUKL-UHFFFAOYSA-N	-1	1	353.371	2.812	40	0		FFABMM
C[C@@]1(O)Cc2[n-][nH]c(=O)c2[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1	ZINC000012402455	207369316	/nfs/dbraw/zinc/36/93/16/207369316.db2.gz	MFCMYLBYJQIUHC-HGHGUNKESA-N	-1	1	363.417	2.809	40	0		FFABMM
Cc1ccc(-n2c(C)nc3nc(N4CCOCC4)[n-]c(=O)c3c2=S)cc1	ZINC000040386853	136119673	/nfs/dbraw/zinc/11/96/73/136119673.db2.gz	CRIFYVIKUOXZIP-UHFFFAOYSA-N	-1	1	369.450	2.704	40	0		FFABMM
CCOC(=O)c1nc2c(OCC)[n-]c(OCC)nc-2c1Br	ZINC000001686193	506266188	/nfs/dbraw/zinc/26/61/88/506266188.db2.gz	RENQDYCJFVXIGE-UHFFFAOYSA-N	-1	1	358.192	2.695	40	0		FFABMM
CCOC(=O)c1[n-]c2c(nc(OCC)nc2OCC)c1Br	ZINC000001686193	506266193	/nfs/dbraw/zinc/26/61/93/506266193.db2.gz	RENQDYCJFVXIGE-UHFFFAOYSA-N	-1	1	358.192	2.695	40	0		FFABMM
COc1cc2[n-]cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c2cc1OC	ZINC000004169899	506364520	/nfs/dbraw/zinc/36/45/20/506364520.db2.gz	JHCPZJDYVIGTJP-UHFFFAOYSA-N	-1	1	359.403	2.687	40	0		FFABMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000055547957	506773772	/nfs/dbraw/zinc/77/37/72/506773772.db2.gz	DVQQQOMWDFRXDI-UHFFFAOYSA-N	-1	1	352.843	2.819	40	0		FFABMM
CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1	ZINC000055652130	506814578	/nfs/dbraw/zinc/81/45/78/506814578.db2.gz	QSTZNNHCGNDENT-UHFFFAOYSA-N	-1	1	360.435	2.795	40	0		FFABMM
COc1ccccc1CN1CCc2nc3cc(C4CC4)[n-]n3c(=O)c2C1	ZINC000012666999	506887307	/nfs/dbraw/zinc/88/73/07/506887307.db2.gz	PPXSJTDLLXTMJZ-UHFFFAOYSA-N	-1	1	350.422	2.879	40	0		FFABMM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)cc1	ZINC000226306555	509398270	/nfs/dbraw/zinc/39/82/70/509398270.db2.gz	KGNBMBQEBSRDJF-UHFFFAOYSA-N	-1	1	372.402	2.855	40	0		FFABMM
O=C([O-])c1ccccc1-n1cc(CN2CCC(c3cc[nH]n3)CC2)cn1	ZINC000257327755	210001314	/nfs/dbraw/zinc/00/13/14/210001314.db2.gz	XCOQKQVWLQTJJN-UHFFFAOYSA-N	-1	1	351.410	2.673	40	0		FFABMM
Cc1cccc(-n2c(C)nc3nc(N4CCOCC4)[n-]c(=O)c3c2=S)c1	ZINC000040386859	136119756	/nfs/dbraw/zinc/11/97/56/136119756.db2.gz	FYLCSCBPOUPIEQ-UHFFFAOYSA-N	-1	1	369.450	2.704	40	0		FFABMM
CCCNC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O	ZINC000006879608	506513801	/nfs/dbraw/zinc/51/38/01/506513801.db2.gz	OMKJOOOKHWITQF-GHXNOFRVSA-N	-1	1	354.815	2.608	40	0		FFABMM
COc1cccc(CN2CCc3c(nc(-c4cnc(C)cn4)[n-]c3=O)C2)c1	ZINC000019239059	507162047	/nfs/dbraw/zinc/16/20/47/507162047.db2.gz	DEXSTOJOCWTWTQ-UHFFFAOYSA-N	-1	1	363.421	2.515	40	0		FFABMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000223935812	509350942	/nfs/dbraw/zinc/35/09/42/509350942.db2.gz	FGNPQKWAQCNUPK-MRXNPFEDSA-N	-1	1	374.462	2.705	40	0		FFABMM
Cc1cccc(C[N@H+]2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)n1	ZINC000257235417	509961409	/nfs/dbraw/zinc/96/14/09/509961409.db2.gz	GXTGHCDFQFYJGW-CQSZACIVSA-N	-1	1	353.470	2.680	40	0		FFABMM
Cc1ccc(OCc2nnc(SCC(=O)c3ccc([O-])cc3)n2N)cc1	ZINC000409198789	513100320	/nfs/dbraw/zinc/10/03/20/513100320.db2.gz	FIKWJDUZVMRVBX-UHFFFAOYSA-N	-1	1	370.434	2.560	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)N1CCCC1	ZINC000007361271	263350562	/nfs/dbraw/zinc/35/05/62/263350562.db2.gz	ZFRGGZGUGFTMHI-UHFFFAOYSA-N	-1	1	360.435	2.732	40	0		FFABMM
O=C(c1cccnc1)N1CCC(c2cc(=O)[n-]c(-c3ccccn3)n2)CC1	ZINC000012186517	263369778	/nfs/dbraw/zinc/36/97/78/263369778.db2.gz	SSKOHBCRHSEANO-UHFFFAOYSA-N	-1	1	361.405	2.659	40	0		FFABMM
CSc1nc(C)c(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(=O)[n-]1	ZINC000012194993	506834089	/nfs/dbraw/zinc/83/40/89/506834089.db2.gz	PCYNJCKIWINVLF-LLVKDONJSA-N	-1	1	357.479	2.709	40	0		FFABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1ccnc3ccccc13)C2	ZINC000019376103	507170512	/nfs/dbraw/zinc/17/05/12/507170512.db2.gz	ODFVPBCFINVCQG-UHFFFAOYSA-N	-1	1	369.428	2.938	40	0		FFABMM
Cc1cc(CN2CCc3c(=O)[n-]c(-c4cnccn4)nc3C2)cc(C)c1O	ZINC000019570041	507181267	/nfs/dbraw/zinc/18/12/67/507181267.db2.gz	SPNKSLSGGHBFBD-UHFFFAOYSA-N	-1	1	363.421	2.520	40	0		FFABMM
COCc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1	ZINC000026547463	507597066	/nfs/dbraw/zinc/59/70/66/507597066.db2.gz	OHTULEHBQPNYRE-UHFFFAOYSA-N	-1	1	360.435	2.761	40	0		FFABMM
CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000252584431	509853421	/nfs/dbraw/zinc/85/34/21/509853421.db2.gz	AJRPSKOHFOMSHX-YEWWUXTCSA-N	-1	1	364.829	2.776	40	0		FFABMM
COC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408619883	513089611	/nfs/dbraw/zinc/08/96/11/513089611.db2.gz	OEHQZGGSWMTFJS-AWEZNQCLSA-N	-1	1	362.451	2.561	40	0		FFABMM
CCc1nc(SCC(=O)Nc2nc3ccccc3s2)[n-]c(=O)c1C	ZINC000035312328	207131232	/nfs/dbraw/zinc/13/12/32/207131232.db2.gz	ABDPALNYURXMHW-UHFFFAOYSA-N	-1	1	360.464	2.981	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1OC	ZINC000010008820	207292014	/nfs/dbraw/zinc/29/20/14/207292014.db2.gz	SEKNBVVHFXNTHT-UHFFFAOYSA-N	-1	1	362.451	2.979	40	0		FFABMM
COC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@@H]1c1ccc(N(C)C)cc1	ZINC000005500539	506446549	/nfs/dbraw/zinc/44/65/49/506446549.db2.gz	RTHXFJIJBIGHJH-CYBMUJFWSA-N	-1	1	372.450	2.503	40	0		FFABMM
O=C(CSc1nc(O)cc(=O)[n-]1)Nc1nc(-c2ccccc2)cs1	ZINC000059432454	507500636	/nfs/dbraw/zinc/50/06/36/507500636.db2.gz	IQWAIBLGBROBNF-UHFFFAOYSA-N	-1	1	360.420	2.742	40	0		FFABMM
CC(C)OC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000095101306	508173234	/nfs/dbraw/zinc/17/32/34/508173234.db2.gz	AJRPSKOHFOMSHX-QIIPPGSGSA-N	-1	1	364.829	2.776	40	0		FFABMM
CCOc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OC(=O)c1ccccc1	ZINC000105669078	508379671	/nfs/dbraw/zinc/37/96/71/508379671.db2.gz	DZXJGCZNABMSFQ-GXDHUFHOSA-N	-1	1	368.414	2.650	40	0		FFABMM
CSc1cccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c1	ZINC000223337473	509334888	/nfs/dbraw/zinc/33/48/88/509334888.db2.gz	MZYXJUNWHDSWMU-UHFFFAOYSA-N	-1	1	364.448	2.963	40	0		FFABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1	ZINC000223290935	509335254	/nfs/dbraw/zinc/33/52/54/509335254.db2.gz	MZPGBXGSYAVMEA-DHZHZOJOSA-N	-1	1	362.476	2.969	40	0		FFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)ccc1C	ZINC000223797525	509348524	/nfs/dbraw/zinc/34/85/24/509348524.db2.gz	FEHPJLACKMHSSU-UHFFFAOYSA-N	-1	1	365.407	2.600	40	0		FFABMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2N)cc1	ZINC000226347667	509398206	/nfs/dbraw/zinc/39/82/06/509398206.db2.gz	WLRRHRMDIOCZLC-UHFFFAOYSA-N	-1	1	353.831	2.990	40	0		FFABMM
Cc1nccc([C@@H]2CCN(Cc3cnn(-c4ccccc4C(=O)[O-])c3)C2)n1	ZINC000257206958	509957311	/nfs/dbraw/zinc/95/73/11/509957311.db2.gz	BFQRQSSPURRYSE-MRXNPFEDSA-N	-1	1	363.421	2.658	40	0		FFABMM
CC(C)(C)c1cc2nc3c(c(=O)n2[n-]1)CN(Cc1cccc(O)c1)CC3	ZINC000012142902	207342906	/nfs/dbraw/zinc/34/29/06/207342906.db2.gz	QSXXFHLVORBJSP-UHFFFAOYSA-N	-1	1	352.438	2.996	40	0		FFABMM
COC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010364268	506741053	/nfs/dbraw/zinc/74/10/53/506741053.db2.gz	FGVXAAFFEWSGGR-CQSZACIVSA-N	-1	1	362.451	2.561	40	0		FFABMM
COCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000010370215	506741287	/nfs/dbraw/zinc/74/12/87/506741287.db2.gz	NTVIYGIOAVLZQV-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
CC(C)CCc1c([O-])nc(SCC(=O)Nc2ccc(F)cc2)[nH]c1=O	ZINC000013453869	506941909	/nfs/dbraw/zinc/94/19/09/506941909.db2.gz	KTSNYWGPDRLTOY-UHFFFAOYSA-N	-1	1	365.430	2.934	40	0		FFABMM
O=C(c1ccccc1[O-])N1N=CC[C@]1(O)c1cccc(Br)c1	ZINC000059381748	507498647	/nfs/dbraw/zinc/49/86/47/507498647.db2.gz	NIFXGMVDISUJFR-INIZCTEOSA-N	-1	1	361.195	2.832	40	0		FFABMM
O=C(CSc1nccc(=O)[n-]1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21	ZINC000107902249	507872667	/nfs/dbraw/zinc/87/26/67/507872667.db2.gz	HQIFBJFDSPGRHS-JSGCOSHPSA-N	-1	1	369.471	2.864	40	0		FFABMM
CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1	ZINC000252586030	509854148	/nfs/dbraw/zinc/85/41/48/509854148.db2.gz	NALFAXLZETUAFN-WRWLIDTKSA-N	-1	1	358.438	2.685	40	0		FFABMM
COC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408616658	513089492	/nfs/dbraw/zinc/08/94/92/513089492.db2.gz	AMPMNEMEFJKHQG-CQSZACIVSA-N	-1	1	362.451	2.561	40	0		FFABMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000007709578	207202959	/nfs/dbraw/zinc/20/29/59/207202959.db2.gz	IOSNJDZUOUVCSG-UHFFFAOYSA-N	-1	1	365.407	2.681	40	0		FFABMM
CCc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C(C)C)c1C	ZINC000012117045	207339674	/nfs/dbraw/zinc/33/96/74/207339674.db2.gz	ADSJKGNNBHYDGX-UHFFFAOYSA-N	-1	1	364.427	2.570	40	0		FFABMM
CCOCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010357082	263364900	/nfs/dbraw/zinc/36/49/00/263364900.db2.gz	PZPSDKGNDAEZEZ-UHFFFAOYSA-N	-1	1	362.451	2.644	40	0		FFABMM
COCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000044849320	506893938	/nfs/dbraw/zinc/89/39/38/506893938.db2.gz	DBDSUJQOUQTNSE-UHFFFAOYSA-N	-1	1	368.842	2.517	40	0		FFABMM
CCC(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1	ZINC000019499240	507175158	/nfs/dbraw/zinc/17/51/58/507175158.db2.gz	OITQZLKXPXUTCS-QGZVFWFLSA-N	-1	1	366.396	2.781	40	0		FFABMM
CCOc1ccc2nc(Nc3nc(C)c(CCOC)c(=O)[n-]3)nc(C)c2c1	ZINC000020798030	507236290	/nfs/dbraw/zinc/23/62/90/507236290.db2.gz	NWTXOZTWYUPECJ-UHFFFAOYSA-N	-1	1	369.425	2.661	40	0		FFABMM
O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3ncc[nH]3)C2)cc1	ZINC000257236140	509962107	/nfs/dbraw/zinc/96/21/07/509962107.db2.gz	HAYKLAMZSPEPLC-MRXNPFEDSA-N	-1	1	363.421	2.945	40	0		FFABMM
CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl	ZINC000408592923	513088832	/nfs/dbraw/zinc/08/88/32/513088832.db2.gz	PCGCSTFCGFPIEU-UHFFFAOYSA-N	-1	1	368.842	2.656	40	0		FFABMM
O=C1CCC(=O)N1c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000408721266	513092740	/nfs/dbraw/zinc/09/27/40/513092740.db2.gz	FYNFPCAMYSAJJB-UHFFFAOYSA-N	-1	1	364.810	2.794	40	0		FFABMM
Cc1c(Cl)cccc1NC(=O)C(=O)c1c([O-])c2ccc(O)cc2oc1=O	ZINC000006483640	207142078	/nfs/dbraw/zinc/14/20/78/207142078.db2.gz	BWYLWGTZWSZVGB-UHFFFAOYSA-N	-1	1	373.748	2.987	40	0		FFABMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1	ZINC000012199861	207347771	/nfs/dbraw/zinc/34/77/71/207347771.db2.gz	YGPLNSCDWNJBKO-UHFFFAOYSA-N	-1	1	358.419	2.758	40	0		FFABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1	ZINC000024257692	207865134	/nfs/dbraw/zinc/86/51/34/207865134.db2.gz	GLPYPMMIUVHJFX-UHFFFAOYSA-N	-1	1	355.799	2.936	40	0		FFABMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000045866126	208339854	/nfs/dbraw/zinc/33/98/54/208339854.db2.gz	AAQRKHYOXSURTH-UHFFFAOYSA-N	-1	1	359.856	2.853	40	0		FFABMM
COCCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[n-]c1=O	ZINC000020798017	507236311	/nfs/dbraw/zinc/23/63/11/507236311.db2.gz	CLDLKHQQBISAPW-UHFFFAOYSA-N	-1	1	353.426	2.879	40	0		FFABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3cccc(OC)c3)cc2oc1=O	ZINC000223355740	509337385	/nfs/dbraw/zinc/33/73/85/509337385.db2.gz	LMZKCBBNVPVCAT-UHFFFAOYSA-N	-1	1	362.407	2.732	40	0		FFABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)CCO2)n1	ZINC000257280945	509970223	/nfs/dbraw/zinc/97/02/23/509970223.db2.gz	ONAVBFWAXYYGPC-KRWDZBQOSA-N	-1	1	353.422	2.583	40	0		FFABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(Cc2cccc(F)c2)C3)cn1	ZINC000019239058	211209777	/nfs/dbraw/zinc/20/97/77/211209777.db2.gz	UZUAJJFBBIPBFQ-UHFFFAOYSA-N	-1	1	351.385	2.645	40	0		FFABMM
O=C(c1cccs1)C1=NO[C@@H]2C(=O)N(c3ccccc3Cl)C([O-])=C12	ZINC000100354417	222241689	/nfs/dbraw/zinc/24/16/89/222241689.db2.gz	BDDTVIOSZIMITQ-RISCZKNCSA-N	-1	1	360.778	2.529	40	0		FFABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(N)=O	ZINC000032081712	506228687	/nfs/dbraw/zinc/22/86/87/506228687.db2.gz	CLGOZKVZEWHSMY-UHFFFAOYSA-N	-1	1	358.341	2.914	40	0		FFABMM
Cc1c(N[C@@H](c2ccccc2)[P@](=O)([O-])O)c(=O)n(-c2ccccc2)n1C	ZINC000005881531	506459839	/nfs/dbraw/zinc/45/98/39/506459839.db2.gz	FNFVLNITGNOXIX-QGZVFWFLSA-N	-1	1	373.349	2.773	40	0		FFABMM
COc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(Br)c1[O-]	ZINC000008222602	506634140	/nfs/dbraw/zinc/63/41/40/506634140.db2.gz	HRAVKQXIGODGTE-DTORHVGOSA-N	-1	1	360.273	2.948	40	0		FFABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC	ZINC000010008870	506720941	/nfs/dbraw/zinc/72/09/41/506720941.db2.gz	FZQWCRFNRFPYRD-UHFFFAOYSA-N	-1	1	368.842	2.899	40	0		FFABMM
COc1ccc(-n2nc3[nH]c(COc4ccccc4)cc(=O)c3c2[O-])cc1	ZINC000017074712	507115011	/nfs/dbraw/zinc/11/50/11/507115011.db2.gz	DWFQVMUPTYGUAB-UHFFFAOYSA-N	-1	1	363.373	2.595	40	0		FFABMM
COc1ccc(-n2nc3[nH]c(COc4ccccc4)cc([O-])c-3c2=O)cc1	ZINC000017074712	507115029	/nfs/dbraw/zinc/11/50/29/507115029.db2.gz	DWFQVMUPTYGUAB-UHFFFAOYSA-N	-1	1	363.373	2.595	40	0		FFABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000223288259	509335921	/nfs/dbraw/zinc/33/59/21/509335921.db2.gz	YWDIXEQOAMBIPP-NYYWCZLTSA-N	-1	1	350.827	2.900	40	0		FFABMM
CCOCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223920692	509351310	/nfs/dbraw/zinc/35/13/10/509351310.db2.gz	XJQZYBOHKPNQRI-UHFFFAOYSA-N	-1	1	362.451	2.644	40	0		FFABMM
Cc1sc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000571172255	518962649	/nfs/dbraw/zinc/96/26/49/518962649.db2.gz	RPIVZDUCFKEIJF-JTQLQIEISA-N	-1	1	368.480	2.595	40	0		FFABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)cc2oc1=O	ZINC000019936809	211261695	/nfs/dbraw/zinc/26/16/95/211261695.db2.gz	PBGACZNKEUUBEJ-UHFFFAOYSA-N	-1	1	360.391	2.618	40	0		FFABMM
Cc1ccc2oc(C(=O)NCc3cc(=O)[n-]c(-c4ccccn4)n3)cc2c1	ZINC000019221391	211207037	/nfs/dbraw/zinc/20/70/37/211207037.db2.gz	MIIQPZUPEVMFMA-UHFFFAOYSA-N	-1	1	360.373	2.817	40	0		FFABMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)c1	ZINC000223673973	509345173	/nfs/dbraw/zinc/34/51/73/509345173.db2.gz	AEDRBCZTWXDLDL-UHFFFAOYSA-N	-1	1	368.480	2.500	40	0		FFABMM
CC(C)COC(=O)c1cccc(-c2ccc(CN=Nc3nn[n-]n3)o2)c1	ZINC000254379339	509905811	/nfs/dbraw/zinc/90/58/11/509905811.db2.gz	HMQUZQOCRIZVKY-UHFFFAOYSA-N	-1	1	354.370	2.719	40	0		FFABMM
CC1=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1	ZINC000408650293	513090514	/nfs/dbraw/zinc/09/05/14/513090514.db2.gz	MGOSZSOHIDKEQB-JQWIXIFHSA-N	-1	1	353.205	2.980	40	0		FFABMM
COc1ccc(CN2CCc3c(nc(-c4cnc(C)cn4)[n-]c3=O)C2)cc1	ZINC000019239055	211209603	/nfs/dbraw/zinc/20/96/03/211209603.db2.gz	KBLUGNQJDZZRAD-UHFFFAOYSA-N	-1	1	363.421	2.515	40	0		FFABMM
CCOc1ccc(NC(=O)[C@H](Cc2cccc(C)c2)c2nn[n-]n2)cc1	ZINC000005444540	506443015	/nfs/dbraw/zinc/44/30/15/506443015.db2.gz	KRALZCOGKHYIPR-QGZVFWFLSA-N	-1	1	351.410	2.872	40	0		FFABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1ccc3ncccc3c1)C2	ZINC000012088779	506813845	/nfs/dbraw/zinc/81/38/45/506813845.db2.gz	DFQXGEFOCRLTHU-UHFFFAOYSA-N	-1	1	369.428	2.938	40	0		FFABMM
COCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000044900403	506898067	/nfs/dbraw/zinc/89/80/67/506898067.db2.gz	DKYTUAQYIFQODG-UHFFFAOYSA-N	-1	1	368.842	2.517	40	0		FFABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)c3ccc4c(c3)CCCC4)CCO2)n1	ZINC000257280946	534020068	/nfs/dbraw/zinc/02/00/68/534020068.db2.gz	ONAVBFWAXYYGPC-QGZVFWFLSA-N	-1	1	353.422	2.583	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1OC	ZINC000013678891	211048889	/nfs/dbraw/zinc/04/88/89/211048889.db2.gz	SCIPFEDVMSDJCM-UHFFFAOYSA-N	-1	1	368.842	2.817	40	0		FFABMM
COC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000010328412	506739575	/nfs/dbraw/zinc/73/95/75/506739575.db2.gz	MOHCMCZIZQTVHO-CYBMUJFWSA-N	-1	1	362.451	2.561	40	0		FFABMM
CC(C)c1ncc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cn1	ZINC000012122685	506819885	/nfs/dbraw/zinc/81/98/85/506819885.db2.gz	OUGYFMXLRBIAEC-UHFFFAOYSA-N	-1	1	362.437	2.716	40	0		FFABMM
CCCCSc1nnc(NC(=O)CSc2nccc(=O)[n-]2)s1	ZINC000248179772	509257089	/nfs/dbraw/zinc/25/70/89/509257089.db2.gz	XUVDTKZKCOSFPZ-UHFFFAOYSA-N	-1	1	357.486	2.657	40	0		FFABMM
NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000223295816	509336048	/nfs/dbraw/zinc/33/60/48/509336048.db2.gz	OCSSWCQQBNPDGJ-UHFFFAOYSA-N	-1	1	356.403	2.505	40	0		FFABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2oc1=O	ZINC000223355817	509336880	/nfs/dbraw/zinc/33/68/80/509336880.db2.gz	YNJYEMKPPKSEFD-UHFFFAOYSA-N	-1	1	362.407	2.732	40	0		FFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1C	ZINC000223800676	509347329	/nfs/dbraw/zinc/34/73/29/509347329.db2.gz	JUSPXEMWWULYQR-UHFFFAOYSA-N	-1	1	362.407	2.541	40	0		FFABMM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1OC	ZINC000408627405	513090114	/nfs/dbraw/zinc/09/01/14/513090114.db2.gz	ZICOUVGJWVCXLU-UHFFFAOYSA-N	-1	1	364.423	2.771	40	0		FFABMM
O=C([O-])c1ccccc1-n1cc(CN2CCC[C@H](c3ccncn3)C2)cn1	ZINC000257221749	223026040	/nfs/dbraw/zinc/02/60/40/223026040.db2.gz	DQJDTFWSNIQDPW-INIZCTEOSA-N	-1	1	363.421	2.740	40	0		FFABMM
COc1ccc(-n2[n-]c3[nH]c(C)c(Cc4ccccc4)c(=O)c3c2=O)cc1	ZINC000017074397	507114848	/nfs/dbraw/zinc/11/48/48/507114848.db2.gz	ZCHXHKHTWXKROC-UHFFFAOYSA-N	-1	1	361.401	2.915	40	0		FFABMM
COc1ccc(-n2nc3[nH]c(C)c(Cc4ccccc4)c(=O)c3c2[O-])cc1	ZINC000017074397	507114854	/nfs/dbraw/zinc/11/48/54/507114854.db2.gz	ZCHXHKHTWXKROC-UHFFFAOYSA-N	-1	1	361.401	2.915	40	0		FFABMM
COc1ccc(-n2nc3[nH]c(C)c(Cc4ccccc4)c([O-])c-3c2=O)cc1	ZINC000017074397	507114863	/nfs/dbraw/zinc/11/48/63/507114863.db2.gz	ZCHXHKHTWXKROC-UHFFFAOYSA-N	-1	1	361.401	2.915	40	0		FFABMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)oc(=O)n2C	ZINC000223334502	509334979	/nfs/dbraw/zinc/33/49/79/509334979.db2.gz	KIJBTFTWJZMSBQ-UHFFFAOYSA-N	-1	1	352.799	2.894	40	0		FFABMM
COc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1c(C)noc1C	ZINC000225228604	509367870	/nfs/dbraw/zinc/36/78/70/509367870.db2.gz	OPPWSAWAKAYDJG-AWEZNQCLSA-N	-1	1	366.439	2.881	40	0		FFABMM
Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)cc1	ZINC000408533964	513085476	/nfs/dbraw/zinc/08/54/76/513085476.db2.gz	PQSCWVXDCCHZMR-UHFFFAOYSA-N	-1	1	372.450	2.978	40	0		FFABMM
Cc1ccc(C(=O)N2CCCC[C@H]2c2[n-]ncc2S(C)(=O)=O)s1	ZINC000257329218	223068391	/nfs/dbraw/zinc/06/83/91/223068391.db2.gz	XIZHXEGUJSLJJJ-NSHDSACASA-N	-1	1	353.469	2.551	40	0		FFABMM
Cc1ccc(C(=O)N2CCCC[C@H]2c2n[n-]cc2S(C)(=O)=O)s1	ZINC000257329218	223068395	/nfs/dbraw/zinc/06/83/95/223068395.db2.gz	XIZHXEGUJSLJJJ-NSHDSACASA-N	-1	1	353.469	2.551	40	0		FFABMM
COc1ccc(CN2CCc3c(=O)[n-]c(-c4cccnc4)nc3C2)cc1O	ZINC000019559753	211233874	/nfs/dbraw/zinc/23/38/74/211233874.db2.gz	RNZVUIIVRSTJDJ-UHFFFAOYSA-N	-1	1	364.405	2.517	40	0		FFABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1OC	ZINC000013681046	211048998	/nfs/dbraw/zinc/04/89/98/211048998.db2.gz	NYWNCWHTARKPFP-UHFFFAOYSA-N	-1	1	370.377	2.524	40	0		FFABMM
CSCC[C@H](NC(=O)C1CCCC1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019573880	263374371	/nfs/dbraw/zinc/37/43/71/263374371.db2.gz	AZJJUYRSTLMCPP-AWEZNQCLSA-N	-1	1	372.494	2.933	40	0		FFABMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)c1	ZINC000006352425	506479269	/nfs/dbraw/zinc/47/92/69/506479269.db2.gz	GMAFJEDEUXSVTK-UHFFFAOYSA-N	-1	1	374.462	2.577	40	0		FFABMM
CCOc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1	ZINC000223336661	509335396	/nfs/dbraw/zinc/33/53/96/509335396.db2.gz	MQYFIQBKOHOHJE-UHFFFAOYSA-N	-1	1	362.407	2.639	40	0		FFABMM
CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101312	210078848	/nfs/dbraw/zinc/07/88/48/210078848.db2.gz	NALFAXLZETUAFN-SYNHAJSKSA-N	-1	1	358.438	2.685	40	0		FFABMM
CCOc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1	ZINC000230217429	210076569	/nfs/dbraw/zinc/07/65/69/210076569.db2.gz	JLBCAUVNWUHMBR-MDYRTPRTSA-N	-1	1	374.437	2.521	40	0		FFABMM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCCCN2Cc2cnc[nH]2)n1	ZINC000257299913	223056324	/nfs/dbraw/zinc/05/63/24/223056324.db2.gz	RSDSUPWRVSVSLW-AWEZNQCLSA-N	-1	1	356.459	2.830	40	0		FFABMM
CCCc1cc(=O)[n-]c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1	ZINC000012498700	220001129	/nfs/dbraw/zinc/00/11/29/220001129.db2.gz	DCULWRRKZTWDEF-UHFFFAOYSA-N	-1	1	361.511	2.900	40	0		FFABMM
COc1ccccc1CN1CCc2c(nc(-c3cnc(C)cn3)[n-]c2=O)C1	ZINC000019239064	211208985	/nfs/dbraw/zinc/20/89/85/211208985.db2.gz	WOESMLYBZIVSRY-UHFFFAOYSA-N	-1	1	363.421	2.515	40	0		FFABMM
COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(OC)c1OC	ZINC000008469963	263355379	/nfs/dbraw/zinc/35/53/79/263355379.db2.gz	SXSYUUMKLAHHLH-UHFFFAOYSA-N	-1	1	373.438	2.772	40	0		FFABMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1Br)CC(=O)N2	ZINC000004944222	506408038	/nfs/dbraw/zinc/40/80/38/506408038.db2.gz	VDXDDNSKCODASB-MRVPVSSYSA-N	-1	1	366.240	2.728	40	0		FFABMM
CCOc1c(Br)cc(CNn2cn[n-]c2=S)cc1OC	ZINC000008253367	506636582	/nfs/dbraw/zinc/63/65/82/506636582.db2.gz	XIQCHUZWRQWSBL-UHFFFAOYSA-N	-1	1	359.249	2.854	40	0		FFABMM
CSc1nc(C)c(CC(=O)N[C@H](c2cccs2)C(C)C)c(=O)[n-]1	ZINC000012200551	506833765	/nfs/dbraw/zinc/83/37/65/506833765.db2.gz	FYFYLXYCSKZBNK-AWEZNQCLSA-N	-1	1	351.497	2.918	40	0		FFABMM
CSc1nc(C)c(CC(=O)N2CCn3c(C)ccc3[C@H]2C(C)C)c(=O)[n-]1	ZINC000012325613	506848428	/nfs/dbraw/zinc/84/84/28/506848428.db2.gz	WVVYZZHCIGTMKL-QGZVFWFLSA-N	-1	1	374.510	2.692	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)c(C)c1C	ZINC000117227645	508583732	/nfs/dbraw/zinc/58/37/32/508583732.db2.gz	ZXFTVLWYXQQRQD-UHFFFAOYSA-N	-1	1	362.451	2.815	40	0		FFABMM
COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)ccc2c1	ZINC000223422807	509337166	/nfs/dbraw/zinc/33/71/66/509337166.db2.gz	CTNFDTOZPJOBHD-UHFFFAOYSA-N	-1	1	356.403	2.748	40	0		FFABMM
CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(OC)c(OC)c1	ZINC000225837404	509391607	/nfs/dbraw/zinc/39/16/07/509391607.db2.gz	OMIQNFNIJUUJFY-CYBMUJFWSA-N	-1	1	354.428	2.738	40	0		FFABMM
COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1	ZINC000408605063	513088563	/nfs/dbraw/zinc/08/85/63/513088563.db2.gz	MMNOHCZDWVWUCD-UHFFFAOYSA-N	-1	1	362.451	2.943	40	0		FFABMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1	ZINC000408605536	513088863	/nfs/dbraw/zinc/08/88/63/513088863.db2.gz	KONFRCCFNRVHAU-UHFFFAOYSA-N	-1	1	361.423	2.713	40	0		FFABMM
CC1=CC[C@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1	ZINC000408650295	513090421	/nfs/dbraw/zinc/09/04/21/513090421.db2.gz	MGOSZSOHIDKEQB-ZYHUDNBSSA-N	-1	1	353.205	2.980	40	0		FFABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)cc2oc1=O	ZINC000204053494	729543063	/nfs/dbraw/zinc/54/30/63/729543063.db2.gz	SYYCVNWHYAUGHQ-UHFFFAOYSA-N	-1	1	350.371	2.863	40	0		FFABMM
Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)cc3C)n2)c1	ZINC000041152787	506493972	/nfs/dbraw/zinc/49/39/72/506493972.db2.gz	RGMCOAUIFIKUNJ-UHFFFAOYSA-N	-1	1	361.398	2.971	40	0		FFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c1	ZINC000028196144	507712684	/nfs/dbraw/zinc/71/26/84/507712684.db2.gz	OPGGJFUQMPNOBB-UHFFFAOYSA-N	-1	1	362.407	2.541	40	0		FFABMM
CCCc1ncc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cn1	ZINC000072339915	507778514	/nfs/dbraw/zinc/77/85/14/507778514.db2.gz	CRPOAZGIFMLPQK-UHFFFAOYSA-N	-1	1	362.437	2.545	40	0		FFABMM
CCOc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101322	508173506	/nfs/dbraw/zinc/17/35/06/508173506.db2.gz	JLBCAUVNWUHMBR-OXFYSEKESA-N	-1	1	374.437	2.521	40	0		FFABMM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(COC)c3)ccc21	ZINC000225187994	509366731	/nfs/dbraw/zinc/36/67/31/509366731.db2.gz	PUWWBTFOTKTKHS-UHFFFAOYSA-N	-1	1	374.462	2.933	40	0		FFABMM
CCN(CC)C(=O)COc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1	ZINC000575410994	518215277	/nfs/dbraw/zinc/21/52/77/518215277.db2.gz	SNLYZWIGPRCCFS-UHFFFAOYSA-N	-1	1	351.406	2.837	40	0		FFABMM
O=C(C1CCCCC1)N1CC[C@@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1	ZINC000019402791	220255463	/nfs/dbraw/zinc/25/54/63/220255463.db2.gz	JAKFLCFRDAEJOW-OAHLLOKOSA-N	-1	1	352.438	2.728	40	0		FFABMM
O=c1[n-]c(-c2ccccn2)nc2c1CN(Cc1c(F)cccc1F)CC2	ZINC000019403155	220256267	/nfs/dbraw/zinc/25/62/67/220256267.db2.gz	FYRKDEFEIFEBNE-UHFFFAOYSA-N	-1	1	354.360	2.668	40	0		FFABMM
CNc1cc([C@H]2CCCN2Cc2ccc(OCC(=O)[O-])cc2)nc(C)n1	ZINC000257232323	533054454	/nfs/dbraw/zinc/05/44/54/533054454.db2.gz	GKJQBSUYTZBSMS-QGZVFWFLSA-N	-1	1	356.426	2.627	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1Cl	ZINC000032589419	506266781	/nfs/dbraw/zinc/26/67/81/506266781.db2.gz	HDGGLVNXGKVXPI-UHFFFAOYSA-N	-1	1	368.842	2.851	40	0		FFABMM
COc1cc([O-])c2c(=O)cc(-c3cc(OC)c(O)c(OC)c3OC)oc2c1	ZINC000004716513	506390091	/nfs/dbraw/zinc/39/00/91/506390091.db2.gz	ZVQFOARRJUYDDR-UHFFFAOYSA-N	-1	1	374.345	2.906	40	0		FFABMM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21	ZINC000005026383	506416313	/nfs/dbraw/zinc/41/63/13/506416313.db2.gz	NZBXAGLAWBCIBV-UHFFFAOYSA-N	-1	1	356.762	2.725	40	0		FFABMM
Cc1ccccc1[N-]S(=O)(=O)c1cc2cccc3c2c(c1)C(=O)NC3=O	ZINC000005516131	506445578	/nfs/dbraw/zinc/44/55/78/506445578.db2.gz	WQCBIBXBLXOHPQ-UHFFFAOYSA-N	-1	1	366.398	2.833	40	0		FFABMM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)cc3C)n2)cc1	ZINC000041153010	506494021	/nfs/dbraw/zinc/49/40/21/506494021.db2.gz	BJRLHMVITHLHEW-UHFFFAOYSA-N	-1	1	361.398	2.971	40	0		FFABMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1	ZINC000012199875	506834050	/nfs/dbraw/zinc/83/40/50/506834050.db2.gz	MSJJGRLGTKBAEV-UHFFFAOYSA-N	-1	1	358.419	2.758	40	0		FFABMM
C[C@@]1(O)Cc2[n-][nH]c(=O)c2[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1	ZINC000012402453	506860550	/nfs/dbraw/zinc/86/05/50/506860550.db2.gz	MFCMYLBYJQIUHC-YRISNDGFSA-N	-1	1	363.417	2.809	40	0		FFABMM
CCSC1=NN2C(=NC(C(F)(F)F)(C(F)(F)F)[N-]C2=O)S1	ZINC000001049956	219358790	/nfs/dbraw/zinc/35/87/90/219358790.db2.gz	GIJWTAYEGFDJSR-UHFFFAOYSA-N	-1	1	352.285	2.959	40	0		FFABMM
O=C(c1cccs1)N1CCC(c2cc(=O)[n-]c(-c3ccccn3)n2)CC1	ZINC000019402907	220256180	/nfs/dbraw/zinc/25/61/80/220256180.db2.gz	WSUOQALFIYKZMD-UHFFFAOYSA-N	-1	1	366.446	2.913	40	0		FFABMM
Cc1c([O-])nc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c1=O	ZINC000035315937	506380841	/nfs/dbraw/zinc/38/08/41/506380841.db2.gz	DTEITCQBDZYBQN-UHFFFAOYSA-N	-1	1	359.329	2.534	40	0		FFABMM
CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O	ZINC000006326239	506478036	/nfs/dbraw/zinc/47/80/36/506478036.db2.gz	YTAPUXNAUFUXQV-MLPAPPSSSA-N	-1	1	368.842	2.854	40	0		FFABMM
Cc1nnc(SC(=Cc2cc(Br)ccc2O)C(=O)[O-])[nH]1	ZINC000008272198	506637366	/nfs/dbraw/zinc/63/73/66/506637366.db2.gz	RATHOOFOLKTNQL-YHYXMXQVSA-N	-1	1	356.201	2.799	40	0		FFABMM
Cc1nc(SC(=Cc2cc(Br)ccc2O)C(=O)[O-])n[nH]1	ZINC000008272198	506637373	/nfs/dbraw/zinc/63/73/73/506637373.db2.gz	RATHOOFOLKTNQL-YHYXMXQVSA-N	-1	1	356.201	2.799	40	0		FFABMM
CC(C)Cc1c([O-])nc(SCC(=O)Nc2ccccc2F)[nH]c1=O	ZINC000008574794	506659099	/nfs/dbraw/zinc/65/90/99/506659099.db2.gz	DYFGUTAPQUKQBT-UHFFFAOYSA-N	-1	1	351.403	2.544	40	0		FFABMM
CSc1nc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(=O)[n-]1	ZINC000012194985	506833391	/nfs/dbraw/zinc/83/33/91/506833391.db2.gz	PCYNJCKIWINVLF-NSHDSACASA-N	-1	1	357.479	2.709	40	0		FFABMM
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)cc2c(C)cc(=O)[nH]c12	ZINC000217433572	509269484	/nfs/dbraw/zinc/26/94/84/509269484.db2.gz	SOWRDOXJDULSNC-UHFFFAOYSA-N	-1	1	358.419	2.954	40	0		FFABMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000223275579	509333530	/nfs/dbraw/zinc/33/35/30/509333530.db2.gz	YCRRMDJQCJHWAH-UHFFFAOYSA-N	-1	1	370.430	2.765	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(C)C)c2)cc1	ZINC000224036261	509353610	/nfs/dbraw/zinc/35/36/10/509353610.db2.gz	DFEPXKHELKVXIK-UHFFFAOYSA-N	-1	1	362.451	2.882	40	0		FFABMM
CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1	ZINC000230217406	509435044	/nfs/dbraw/zinc/43/50/44/509435044.db2.gz	NALFAXLZETUAFN-MDYRTPRTSA-N	-1	1	358.438	2.685	40	0		FFABMM
O=C1CCC(=O)N1c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000408722524	513092265	/nfs/dbraw/zinc/09/22/65/513092265.db2.gz	VINGOBXPEJGCTL-UHFFFAOYSA-N	-1	1	364.810	2.794	40	0		FFABMM
O=C(C1CCCC1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000013268083	220062463	/nfs/dbraw/zinc/06/24/63/220062463.db2.gz	SCRBZKJGDZQMRI-UHFFFAOYSA-N	-1	1	353.426	2.535	40	0		FFABMM
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)n2cc([O-])c3ccccc32)cc1	ZINC000022067036	220375433	/nfs/dbraw/zinc/37/54/33/220375433.db2.gz	CPNIGUXPHXNJFL-ZDUSSCGKSA-N	-1	1	358.419	2.663	40	0	in-vitro	FFABMM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1C	ZINC000055578687	221072394	/nfs/dbraw/zinc/07/23/94/221072394.db2.gz	CKGAQSZCLLAEQH-UHFFFAOYSA-N	-1	1	362.451	2.815	40	0		FFABMM
COC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000010314261	263364567	/nfs/dbraw/zinc/36/45/67/263364567.db2.gz	XHRYJAGASTXHBD-AWEZNQCLSA-N	-1	1	362.451	2.561	40	0		FFABMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(N)=O	ZINC000032080982	506228067	/nfs/dbraw/zinc/22/80/67/506228067.db2.gz	YDXDJDCCMAKKJT-UHFFFAOYSA-N	-1	1	369.240	2.657	40	0		FFABMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1	ZINC000032219071	506234385	/nfs/dbraw/zinc/23/43/85/506234385.db2.gz	VZFOFWIHDOHMNU-UHFFFAOYSA-N	-1	1	370.833	2.959	40	0		FFABMM
Cc1c(Br)ccc(NC(=O)CSc2nccc(=O)[n-]2)c1C	ZINC000006621850	506491717	/nfs/dbraw/zinc/49/17/17/506491717.db2.gz	NAWIJBWRZUJICX-UHFFFAOYSA-N	-1	1	368.256	2.880	40	0		FFABMM
CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)[N-]c2ccon2)c1	ZINC000006681118	506496749	/nfs/dbraw/zinc/49/67/49/506496749.db2.gz	VHHRINBQPUQTAO-UHFFFAOYSA-N	-1	1	363.420	2.814	40	0		FFABMM
CCc1nnc([N-]c2cccc(C3CCN(C(=O)COC)CC3)n2)s1	ZINC000072376150	507781431	/nfs/dbraw/zinc/78/14/31/507781431.db2.gz	MVPVUAGIEIQDKM-UHFFFAOYSA-N	-1	1	361.471	2.592	40	0		FFABMM
CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000095101309	508173219	/nfs/dbraw/zinc/17/32/19/508173219.db2.gz	AJRPSKOHFOMSHX-JCKWVBRZSA-N	-1	1	364.829	2.776	40	0		FFABMM
COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1cccc(C)c1	ZINC000113834746	508283027	/nfs/dbraw/zinc/28/30/27/508283027.db2.gz	KPIPOHZNKOKLHC-OQLLNIDSSA-N	-1	1	354.431	2.928	40	0		FFABMM
O=C(Cc1ccccc1)N1CCC2(CC1)CC(=O)c1ccc([O-])cc1O2	ZINC000225819366	509389799	/nfs/dbraw/zinc/38/97/99/509389799.db2.gz	ACOIRCKWHGLKOZ-UHFFFAOYSA-N	-1	1	351.402	2.961	40	0		FFABMM
COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408619885	513089736	/nfs/dbraw/zinc/08/97/36/513089736.db2.gz	OEHQZGGSWMTFJS-CQSZACIVSA-N	-1	1	362.451	2.561	40	0		FFABMM
Cc1ccc(CN(CCCCCC(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575423301	518217533	/nfs/dbraw/zinc/21/75/33/518217533.db2.gz	ZWLOBJUFWGWNFY-KRWDZBQOSA-N	-1	1	353.484	2.629	40	0		FFABMM
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013362413	220066289	/nfs/dbraw/zinc/06/62/89/220066289.db2.gz	HRCJNJYYYCCGAI-UHFFFAOYSA-N	-1	1	367.354	2.501	40	0		FFABMM
CNc1cc([C@@H]2CCCN2Cc2ccc(OCC(=O)[O-])cc2)nc(C)n1	ZINC000257232322	533052299	/nfs/dbraw/zinc/05/22/99/533052299.db2.gz	GKJQBSUYTZBSMS-KRWDZBQOSA-N	-1	1	356.426	2.627	40	0		FFABMM
Cc1ccc(NC(=S)c2c(N)nc(N3CCC(C)CC3)[n-]c2=O)c(C)c1	ZINC000040385555	136119746	/nfs/dbraw/zinc/11/97/46/136119746.db2.gz	LMSZPENOZSXFSM-UHFFFAOYSA-N	-1	1	371.510	2.993	40	0		FFABMM
COCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000033653648	506362220	/nfs/dbraw/zinc/36/22/20/506362220.db2.gz	UJIPYYVUELETIW-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC)ccc1OC	ZINC000010008837	506721018	/nfs/dbraw/zinc/72/10/18/506721018.db2.gz	IZLZGOHDCKKLMH-UHFFFAOYSA-N	-1	1	366.464	2.578	40	0		FFABMM
COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1ccc(F)cc1	ZINC000100313103	508238981	/nfs/dbraw/zinc/23/89/81/508238981.db2.gz	MHLUHNYASIUGTE-RIYZIHGNSA-N	-1	1	358.394	2.759	40	0		FFABMM
CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2cc3ccccc3[nH]2)C1	ZINC000215747246	509251235	/nfs/dbraw/zinc/25/12/35/509251235.db2.gz	ZAVFIAZABDJRIZ-XJKSGUPXSA-N	-1	1	359.426	2.893	40	0		FFABMM
CCOC(=O)c1cc(NC(=O)CSc2nccc(=O)[n-]2)ccc1Cl	ZINC000408545235	513086277	/nfs/dbraw/zinc/08/62/77/513086277.db2.gz	ZXJKUCBGPJSWBV-UHFFFAOYSA-N	-1	1	367.814	2.743	40	0		FFABMM
O=C([O-])C1(c2ccccc2)CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000408546881	513086388	/nfs/dbraw/zinc/08/63/88/513086388.db2.gz	ONMWMENETHNOLY-UHFFFAOYSA-N	-1	1	356.397	2.883	40	0		FFABMM
Cc1cc2cc(C(=O)N3CCO[C@@H](c4nc(C)cc(=O)[n-]4)C3)ccc2o1	ZINC000257260466	534084155	/nfs/dbraw/zinc/08/41/55/534084155.db2.gz	LCYZRDKYVYSXJH-MRXNPFEDSA-N	-1	1	353.378	2.759	40	0		FFABMM
Cc1nc([N-]c2nncs2)cc([C@H]2CCCCN2Cc2cnc[nH]2)n1	ZINC000257299914	223056704	/nfs/dbraw/zinc/05/67/04/223056704.db2.gz	RSDSUPWRVSVSLW-CQSZACIVSA-N	-1	1	356.459	2.830	40	0		FFABMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2oc1=O	ZINC000019936894	220306956	/nfs/dbraw/zinc/30/69/56/220306956.db2.gz	GPEJOIUFGHNBPX-UHFFFAOYSA-N	-1	1	354.334	2.693	40	0		FFABMM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000408591685	263477168	/nfs/dbraw/zinc/47/71/68/263477168.db2.gz	JCAVWBXMNBQIKG-NSHDSACASA-N	-1	1	368.842	2.654	40	0		FFABMM
O=c1c2ccccc2cnn1Cc1n[n-]c(=S)n1[C@@H]1C[C@@H]2C=C[C@H]1C2	ZINC000004718135	506390433	/nfs/dbraw/zinc/39/04/33/506390433.db2.gz	VJLNIPBZTXRVDF-TYNCELHUSA-N	-1	1	351.435	2.836	40	0		FFABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1Cl	ZINC000008092089	506621720	/nfs/dbraw/zinc/62/17/20/506621720.db2.gz	IPXAMYOMCOOCCZ-UHFFFAOYSA-N	-1	1	373.789	2.832	40	0		FFABMM
COc1ccc(-n2[n-]c3nc(-c4ccccc4OC)cc(O)c3c2=O)cc1	ZINC000017074714	507114775	/nfs/dbraw/zinc/11/47/75/507114775.db2.gz	JSTLUDFLHDYVRV-UHFFFAOYSA-N	-1	1	363.373	2.691	40	0		FFABMM
Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3F)n2)c1	ZINC000223650328	509344342	/nfs/dbraw/zinc/34/43/42/509344342.db2.gz	RSRSLPQTGFDYKS-UHFFFAOYSA-N	-1	1	361.398	2.804	40	0		FFABMM
CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)n1	ZINC000257210849	526813500	/nfs/dbraw/zinc/81/35/00/526813500.db2.gz	BWJYAQKHNLNHMO-IBGZPJMESA-N	-1	1	353.422	2.753	40	0		FFABMM
CCOc1ccccc1C(=O)[N-]C(=O)C[C@@H]1Sc2ccccc2NC1=O	ZINC000001086626	219367389	/nfs/dbraw/zinc/36/73/89/219367389.db2.gz	PQNVFXDYNXOICY-INIZCTEOSA-N	-1	1	370.430	2.845	40	0		FFABMM
Cc1nccc([C@H]2CCN(Cc3cnn(-c4ccccc4C(=O)[O-])c3)C2)n1	ZINC000257206957	223018256	/nfs/dbraw/zinc/01/82/56/223018256.db2.gz	BFQRQSSPURRYSE-INIZCTEOSA-N	-1	1	363.421	2.658	40	0		FFABMM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21	ZINC000019936568	220307248	/nfs/dbraw/zinc/30/72/48/220307248.db2.gz	ABIGISORSDNLLE-UHFFFAOYSA-N	-1	1	372.324	2.951	40	0		FFABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000055547991	506774488	/nfs/dbraw/zinc/77/44/88/506774488.db2.gz	XZLLAGCBGDSKSF-UHFFFAOYSA-N	-1	1	355.799	2.693	40	0		FFABMM
CCc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1	ZINC000012199900	506834383	/nfs/dbraw/zinc/83/43/83/506834383.db2.gz	BMQGSXARPPQNJD-UHFFFAOYSA-N	-1	1	358.419	2.703	40	0		FFABMM
CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000014154393	506972345	/nfs/dbraw/zinc/97/23/45/506972345.db2.gz	IHUZYZPBQQRLFS-UHFFFAOYSA-N	-1	1	362.451	2.644	40	0		FFABMM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C(=O)[N-]C1=S	ZINC000015227144	507025463	/nfs/dbraw/zinc/02/54/63/507025463.db2.gz	GPSYYOHXKBDXRS-GDNBJRDFSA-N	-1	1	363.398	2.631	40	0		FFABMM
CC(C)OC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000095101307	508173599	/nfs/dbraw/zinc/17/35/99/508173599.db2.gz	AJRPSKOHFOMSHX-DDUZABMNSA-N	-1	1	364.829	2.776	40	0		FFABMM
CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OC)c2)ccc1OC	ZINC000408697458	513090905	/nfs/dbraw/zinc/09/09/05/513090905.db2.gz	JLUJSVYGLSNCER-UHFFFAOYSA-N	-1	1	364.423	2.853	40	0		FFABMM
COc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1	ZINC000020044569	220310766	/nfs/dbraw/zinc/31/07/66/220310766.db2.gz	RQNFIIZNZLGKLC-UHFFFAOYSA-N	-1	1	360.435	2.931	40	0		FFABMM
CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O	ZINC000006948425	506519264	/nfs/dbraw/zinc/51/92/64/506519264.db2.gz	CTWOHGYBNRUNEZ-JYRVWZFOSA-N	-1	1	368.842	2.950	40	0		FFABMM
COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1[O-]	ZINC000008270931	506636786	/nfs/dbraw/zinc/63/67/86/506636786.db2.gz	HRAVKQXIGODGTE-IUCAKERBSA-N	-1	1	360.273	2.948	40	0		FFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c1	ZINC000028196614	507712845	/nfs/dbraw/zinc/71/28/45/507712845.db2.gz	RRVVJKWSEVYLTD-UHFFFAOYSA-N	-1	1	365.407	2.600	40	0		FFABMM
CNc1cc([C@H]2CCCN2Cc2ccccc2OCC(=O)[O-])nc(C)n1	ZINC000257233617	533054642	/nfs/dbraw/zinc/05/46/42/533054642.db2.gz	GPZSIXBCHLQBIL-MRXNPFEDSA-N	-1	1	356.426	2.627	40	0		FFABMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000055548461	221071276	/nfs/dbraw/zinc/07/12/76/221071276.db2.gz	QJSJHVKKSZNPNJ-UHFFFAOYSA-N	-1	1	352.843	2.819	40	0		FFABMM
COCOc1ccc(-c2oc3cc(OCOC)cc([O-])c3c(=O)c2O)cc1	ZINC000065743105	221235648	/nfs/dbraw/zinc/23/56/48/221235648.db2.gz	DEKADMRWDRKBMB-UHFFFAOYSA-N	-1	1	374.345	2.837	40	0	in-vitro	FFABMM
Cc1cccc(NC(=S)c2c(N)nc(N3CCC(C)CC3)[n-]c2=O)c1	ZINC000040385549	136119714	/nfs/dbraw/zinc/11/97/14/136119714.db2.gz	JCMYJOJYXAQYJC-UHFFFAOYSA-N	-1	1	357.483	2.684	40	0		FFABMM
Cc1ccc(CS(=O)(=O)c2nsc([N-]C(=O)c3ccco3)n2)cc1	ZINC000036626356	506409800	/nfs/dbraw/zinc/40/98/00/506409800.db2.gz	DELMISZLDIEJQS-UHFFFAOYSA-N	-1	1	363.420	2.666	40	0		FFABMM
O=C([O-])/C=C/c1cnc(NS(=O)(=O)c2ccc3ccccc3c2)nc1	ZINC000008701490	506661650	/nfs/dbraw/zinc/66/16/50/506661650.db2.gz	XBBKSQGSKIHOPF-VMPITWQZSA-N	-1	1	355.375	2.528	40	0		FFABMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000012199878	506833929	/nfs/dbraw/zinc/83/39/29/506833929.db2.gz	BIDMJVNYGCAEQI-UHFFFAOYSA-N	-1	1	358.419	2.758	40	0		FFABMM
O=c1[nH]c2cc([N-]S(=O)(=O)c3ccccc3)c(N3CCCC3)cc2[nH]1	ZINC000408531402	513084583	/nfs/dbraw/zinc/08/45/83/513084583.db2.gz	KMAAJZXJILZBJS-UHFFFAOYSA-N	-1	1	358.423	2.670	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(=O)NC(C)C	ZINC000010008967	204388661	/nfs/dbraw/zinc/38/86/61/204388661.db2.gz	SZPQOJVPVHDSMT-UHFFFAOYSA-N	-1	1	362.451	2.943	40	0		FFABMM
CCOc1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1OCC	ZINC000225540038	206486281	/nfs/dbraw/zinc/48/62/81/206486281.db2.gz	PBLXEKJGHGROLY-UHFFFAOYSA-N	-1	1	354.428	2.567	40	0		FFABMM
O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000001042398	506245930	/nfs/dbraw/zinc/24/59/30/506245930.db2.gz	SXVDJYGXUVDJGV-UHFFFAOYSA-N	-1	1	364.810	2.794	40	0		FFABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1	ZINC000007361142	506556866	/nfs/dbraw/zinc/55/68/66/506556866.db2.gz	WKLYIWLPFFCBTO-UHFFFAOYSA-N	-1	1	353.371	2.812	40	0		FFABMM
COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(Br)c1[O-]	ZINC000008222643	506633427	/nfs/dbraw/zinc/63/34/27/506633427.db2.gz	HRAVKQXIGODGTE-RKDXNWHRSA-N	-1	1	360.273	2.948	40	0		FFABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)cc2oc1=O	ZINC000223357213	509337669	/nfs/dbraw/zinc/33/76/69/509337669.db2.gz	FWDMAEVBHVEHRC-UHFFFAOYSA-N	-1	1	374.418	2.926	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1F	ZINC000225051852	509364161	/nfs/dbraw/zinc/36/41/61/509364161.db2.gz	BFZKNFIZEHEAIL-UHFFFAOYSA-N	-1	1	368.411	2.549	40	0		FFABMM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1[N-]S(=O)(=O)c1ccccc1	ZINC000408534373	513085088	/nfs/dbraw/zinc/08/50/88/513085088.db2.gz	QSXQJHFFBYUEJE-UHFFFAOYSA-N	-1	1	360.439	2.916	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)ccc1C	ZINC000408607930	513089104	/nfs/dbraw/zinc/08/91/04/513089104.db2.gz	RAWTURDFBSFYCV-UHFFFAOYSA-N	-1	1	368.842	2.817	40	0		FFABMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C	ZINC000408618473	513089562	/nfs/dbraw/zinc/08/95/62/513089562.db2.gz	GMAGRPGKSYUPPR-UHFFFAOYSA-N	-1	1	362.407	2.525	40	0		FFABMM
CSc1cccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1	ZINC000055548304	205220648	/nfs/dbraw/zinc/22/06/48/205220648.db2.gz	CYUWDNRKGGDGFT-UHFFFAOYSA-N	-1	1	364.492	2.888	40	0		FFABMM
Cc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1C	ZINC000012199887	506833345	/nfs/dbraw/zinc/83/33/45/506833345.db2.gz	XZLYNDWQNAWJTN-UHFFFAOYSA-N	-1	1	358.419	2.758	40	0		FFABMM
CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3ccccc3n2)[n-]c1=O	ZINC000020673221	507232269	/nfs/dbraw/zinc/23/22/69/507232269.db2.gz	LMZDDCNTJANXOK-UHFFFAOYSA-N	-1	1	367.409	2.569	40	0		FFABMM
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000055619380	205222511	/nfs/dbraw/zinc/22/25/11/205222511.db2.gz	IHOVUVLOWCGIIZ-UHFFFAOYSA-N	-1	1	369.464	2.678	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(C)=O)cc1	ZINC000223250697	509334003	/nfs/dbraw/zinc/33/40/03/509334003.db2.gz	LMPITDFYUMJCQB-UHFFFAOYSA-N	-1	1	365.407	2.716	40	0		FFABMM
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)[nH]n1	ZINC000223313790	509335647	/nfs/dbraw/zinc/33/56/47/509335647.db2.gz	FKXBVSNKTGGGAV-UHFFFAOYSA-N	-1	1	370.390	2.620	40	0		FFABMM
C[C@@H]1C=CC[C@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]21	ZINC000408643442	513090583	/nfs/dbraw/zinc/09/05/83/513090583.db2.gz	FXXHMINIVZSXAG-DYLAAIIWSA-N	-1	1	353.205	2.835	40	0		FFABMM
CCOc1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1	ZINC000408721219	513092513	/nfs/dbraw/zinc/09/25/13/513092513.db2.gz	FFODPIDMMAONKJ-UHFFFAOYSA-N	-1	1	374.418	2.540	40	0		FFABMM
O=C(C1=NO[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C12)c1ccc(Cl)cc1	ZINC000003848792	204112032	/nfs/dbraw/zinc/11/20/32/204112032.db2.gz	GNLAIJHEZRELJG-XJKSGUPXSA-N	-1	1	372.739	2.606	40	0		FFABMM
CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000047949033	206080943	/nfs/dbraw/zinc/08/09/43/206080943.db2.gz	NLVDZINQWBHKFS-UHFFFAOYSA-N	-1	1	351.380	2.593	40	0		FFABMM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc4sncc4c3)ccc21	ZINC000190828738	206326700	/nfs/dbraw/zinc/32/67/00/206326700.db2.gz	XHPUVYBFHJAIEH-UHFFFAOYSA-N	-1	1	361.404	2.542	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)cc1	ZINC000194724944	206330367	/nfs/dbraw/zinc/33/03/67/206330367.db2.gz	WTZRBDBIJAVFPD-UHFFFAOYSA-N	-1	1	362.451	2.943	40	0		FFABMM
CSCC[C@@H](NC(=O)C1CCCC1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019573876	263374278	/nfs/dbraw/zinc/37/42/78/263374278.db2.gz	AZJJUYRSTLMCPP-CQSZACIVSA-N	-1	1	372.494	2.933	40	0		FFABMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1Cl	ZINC000223010249	509327730	/nfs/dbraw/zinc/32/77/30/509327730.db2.gz	MHBVAXCHVQDWSJ-UHFFFAOYSA-N	-1	1	368.842	2.567	40	0		FFABMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1NC(C)=O	ZINC000408561631	513087120	/nfs/dbraw/zinc/08/71/20/513087120.db2.gz	UIAHKSQADLBKQO-UHFFFAOYSA-N	-1	1	364.423	2.853	40	0		FFABMM
O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1cccc2c1OCO2	ZINC001554503294	1075624202	/nfs/dbraw/zinc/62/42/02/1075624202.db2.gz	ULKIZBDTEILXCF-UHFFFAOYSA-N	-1	1	373.312	2.661	40	0		FFABMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000045866124	205125873	/nfs/dbraw/zinc/12/58/73/205125873.db2.gz	MTXZRTXEXCLKEL-UHFFFAOYSA-N	-1	1	359.856	2.853	40	0		FFABMM
Cc1cccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)c1	ZINC000005516133	206195936	/nfs/dbraw/zinc/19/59/36/206195936.db2.gz	QCHGHTHCPRLOKD-UHFFFAOYSA-N	-1	1	366.398	2.833	40	0		FFABMM
O=C(c1ccccc1[O-])N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F	ZINC000000910671	506239175	/nfs/dbraw/zinc/23/91/75/506239175.db2.gz	OUKHJHPSAWAUIE-INIZCTEOSA-N	-1	1	350.296	2.893	40	0		FFABMM
COCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[n-]c1=O	ZINC000020798021	507235923	/nfs/dbraw/zinc/23/59/23/507235923.db2.gz	CMFSYKIWIQITAZ-UHFFFAOYSA-N	-1	1	353.426	2.879	40	0		FFABMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1	ZINC000021005581	507242499	/nfs/dbraw/zinc/24/24/99/507242499.db2.gz	VVXYYHSNWOIGTL-KRWDZBQOSA-N	-1	1	374.462	2.705	40	0		FFABMM
O=C(C1=NO[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C12)c1ccc(Cl)cc1	ZINC000100355470	508239336	/nfs/dbraw/zinc/23/93/36/508239336.db2.gz	GNLAIJHEZRELJG-CZUORRHYSA-N	-1	1	372.739	2.606	40	0		FFABMM
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2o1	ZINC000223326352	509334763	/nfs/dbraw/zinc/33/47/63/509334763.db2.gz	UHDPUWOYALTFJX-UHFFFAOYSA-N	-1	1	360.725	2.854	40	0		FFABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000223288182	509335892	/nfs/dbraw/zinc/33/58/92/509335892.db2.gz	YBRUHBSXPGRVKU-JXMROGBWSA-N	-1	1	350.827	2.900	40	0		FFABMM
Cc1ccc2nc(C[C@H]3CN(C(=O)NC(C)C)CC[C@H]3CC(=O)[O-])[nH]c2c1	ZINC000514288439	560035122	/nfs/dbraw/zinc/03/51/22/560035122.db2.gz	FPIIAJYCKSHSKV-GJZGRUSLSA-N	-1	1	372.469	2.945	40	0	biogenic,in-vitro	FFABMM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1Cl	ZINC000032081893	506228716	/nfs/dbraw/zinc/22/87/16/506228716.db2.gz	QYSYBIURCNYYQO-UHFFFAOYSA-N	-1	1	354.815	2.557	40	0		FFABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1C	ZINC000032590890	506268663	/nfs/dbraw/zinc/26/86/63/506268663.db2.gz	QMFFMWSJJCSDBK-UHFFFAOYSA-N	-1	1	353.371	2.730	40	0		FFABMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1	ZINC000004885012	506402262	/nfs/dbraw/zinc/40/22/62/506402262.db2.gz	KFKZWDXYGWLPFG-UHFFFAOYSA-N	-1	1	372.446	2.989	40	0		FFABMM
CCc1ccc2nc(Nc3nc(C)c(CCOC)c(=O)[n-]3)nc(C)c2c1	ZINC000020798045	507235027	/nfs/dbraw/zinc/23/50/27/507235027.db2.gz	OYSGDNICRYNERQ-UHFFFAOYSA-N	-1	1	353.426	2.825	40	0		FFABMM
O=C(C1=NO[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C12)c1ccc(Cl)cc1	ZINC000100355473	508239341	/nfs/dbraw/zinc/23/93/41/508239341.db2.gz	GNLAIJHEZRELJG-CJNGLKHVSA-N	-1	1	372.739	2.606	40	0		FFABMM
CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1	ZINC000223602116	509341103	/nfs/dbraw/zinc/34/11/03/509341103.db2.gz	RMYLVCWBALSMDU-UHFFFAOYSA-N	-1	1	365.436	2.675	40	0		FFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)ccc1C	ZINC000223824149	509350047	/nfs/dbraw/zinc/35/00/47/509350047.db2.gz	LUIIJHNITLONGV-UHFFFAOYSA-N	-1	1	362.407	2.541	40	0		FFABMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1Cl	ZINC000408585370	513087855	/nfs/dbraw/zinc/08/78/55/513087855.db2.gz	FSKCQJXLZSMWRU-UHFFFAOYSA-N	-1	1	354.815	2.638	40	0		FFABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1C	ZINC000408602046	513089009	/nfs/dbraw/zinc/08/90/09/513089009.db2.gz	HNCXXKYVKXVTSN-UHFFFAOYSA-N	-1	1	360.435	2.748	40	0		FFABMM
O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)N1CCCCC1	ZINC000409133075	513099434	/nfs/dbraw/zinc/09/94/34/513099434.db2.gz	ZHMPCYPQJBUHRG-YBEGLDIGSA-N	-1	1	369.446	2.978	40	0		FFABMM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)N1CCCC1	ZINC000205873599	571307581	/nfs/dbraw/zinc/30/75/81/571307581.db2.gz	RLOQCTWNVNGPFA-MDWZMJQESA-N	-1	1	366.826	2.704	40	0		FFABMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000045866023	205126212	/nfs/dbraw/zinc/12/62/12/205126212.db2.gz	FXYBAZOOSKHBHD-UHFFFAOYSA-N	-1	1	359.856	2.853	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(C)=O	ZINC000006186634	506471305	/nfs/dbraw/zinc/47/13/05/506471305.db2.gz	CUUAOSXPJJXITE-UHFFFAOYSA-N	-1	1	362.407	2.657	40	0		FFABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl	ZINC000006362096	506479757	/nfs/dbraw/zinc/47/97/57/506479757.db2.gz	KLTKGNAEGLCASO-UHFFFAOYSA-N	-1	1	355.799	2.693	40	0		FFABMM
COCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010314660	506737344	/nfs/dbraw/zinc/73/73/44/506737344.db2.gz	SFFFMVPZFXLHAJ-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
Cc1nn(C(=O)c2ccccc2[O-])c2c1[C@@H](c1ccco1)SC(=N)N2	ZINC000016958348	507109596	/nfs/dbraw/zinc/10/95/96/507109596.db2.gz	LUVYBEJIZQWAIG-CQSZACIVSA-N	-1	1	354.391	2.961	40	0		FFABMM
CC(=O)N[C@@H]1CCO[C@H](c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1	ZINC000019711877	507194498	/nfs/dbraw/zinc/19/44/98/507194498.db2.gz	SLWNUHJZIFGFNK-MJGOQNOKSA-N	-1	1	374.462	2.844	40	0		FFABMM
CCc1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101310	508173458	/nfs/dbraw/zinc/17/34/58/508173458.db2.gz	NALFAXLZETUAFN-OXFYSEKESA-N	-1	1	358.438	2.685	40	0		FFABMM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1	ZINC000223650407	509343360	/nfs/dbraw/zinc/34/33/60/509343360.db2.gz	UXLVARJMNPQUFC-UHFFFAOYSA-N	-1	1	361.398	2.804	40	0		FFABMM
COc1ccc(-c2oc3c(O)c(OC)cc(=O)c-3c([O-])c2OC)cc1OC	ZINC000002566086	204045085	/nfs/dbraw/zinc/04/50/85/204045085.db2.gz	HVUBHXRYARBAGR-UHFFFAOYSA-N	-1	1	374.345	2.906	40	0	endogenous,in-man	FFABMM
COc1cc([O-])c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1O	ZINC000002566086	204045090	/nfs/dbraw/zinc/04/50/90/204045090.db2.gz	HVUBHXRYARBAGR-UHFFFAOYSA-N	-1	1	374.345	2.906	40	0	endogenous,in-man	FFABMM
CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1	ZINC000019937265	220307326	/nfs/dbraw/zinc/30/73/26/220307326.db2.gz	BMXQKZSEHYPUGC-UHFFFAOYSA-N	-1	1	363.373	2.866	40	0		FFABMM
Cc1cccc(C)c1NC(=S)c1c(N)nc(N2CCC(C)CC2)[n-]c1=O	ZINC000040385552	136119719	/nfs/dbraw/zinc/11/97/19/136119719.db2.gz	OSZFRTQAWVWJPR-UHFFFAOYSA-N	-1	1	371.510	2.993	40	0		FFABMM
O=C(c1ccccc1[O-])N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F	ZINC000000910673	506238411	/nfs/dbraw/zinc/23/84/11/506238411.db2.gz	OUKHJHPSAWAUIE-MRXNPFEDSA-N	-1	1	350.296	2.893	40	0		FFABMM
O=C([O-])c1cccc(Cn2cc(/C=C3/NC(=O)NC3=O)c3ccccc32)c1	ZINC000039557107	506452379	/nfs/dbraw/zinc/45/23/79/506452379.db2.gz	XAPNSXKRNKLMDK-CXUHLZMHSA-N	-1	1	361.357	2.568	40	0		FFABMM
CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O	ZINC000006648249	506493548	/nfs/dbraw/zinc/49/35/48/506493548.db2.gz	LXSOBGHFOSCFKP-JYRVWZFOSA-N	-1	1	368.842	2.998	40	0		FFABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(F)cc2)C3)cn1	ZINC000019239053	507163195	/nfs/dbraw/zinc/16/31/95/507163195.db2.gz	IYOLKAPSPZXWGH-UHFFFAOYSA-N	-1	1	351.385	2.645	40	0		FFABMM
CSc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1	ZINC000223319570	509335305	/nfs/dbraw/zinc/33/53/05/509335305.db2.gz	BCJKVQXCHWHULL-UHFFFAOYSA-N	-1	1	350.421	2.952	40	0		FFABMM
CC(=O)N1CCC[C@@H]2[N@@H+](Cc3ccccc3OCC(=O)[O-])CCC[C@@]21C	ZINC000257286333	509972754	/nfs/dbraw/zinc/97/27/54/509972754.db2.gz	PLEKDWWYMJPINM-ICSRJNTNSA-N	-1	1	360.454	2.515	40	0		FFABMM
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc([O-])c(C=O)c2O)c(C)c1O	ZINC000000608186	291060675	/nfs/dbraw/zinc/06/06/75/291060675.db2.gz	YLOYKYXNDHOHHT-UHFFFAOYSA-N	-1	1	374.345	2.547	40	0	biogenic,in-vitro	FFABMM
COc1cc(-c2oc3cc(OC)c(OC)c(=O)c-3c([O-])c2OC)ccc1O	ZINC000005999141	207124720	/nfs/dbraw/zinc/12/47/20/207124720.db2.gz	NBVTYGIYKCPHQN-UHFFFAOYSA-N	-1	1	374.345	2.906	40	0	biogenic,in-vitro	FFABMM
COc1cc(-c2oc3cc(OC)c(OC)c([O-])c3c(=O)c2OC)ccc1O	ZINC000005999141	207124724	/nfs/dbraw/zinc/12/47/24/207124724.db2.gz	NBVTYGIYKCPHQN-UHFFFAOYSA-N	-1	1	374.345	2.906	40	0	biogenic,in-vitro	FFABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)ccc1OC	ZINC000010008869	207291599	/nfs/dbraw/zinc/29/15/99/207291599.db2.gz	OTXCVKTWAQVPIU-UHFFFAOYSA-N	-1	1	362.451	2.863	40	0		FFABMM
CSc1nc(C)c(CC(=O)NC2(c3ccccc3)CCCC2)c(=O)[n-]1	ZINC000012197421	207347241	/nfs/dbraw/zinc/34/72/41/207347241.db2.gz	ZURDYFIGRPPSJL-UHFFFAOYSA-N	-1	1	357.479	2.928	40	0		FFABMM
CSc1nc(C)c(CC(=O)N[C@@H](c2cccs2)C(C)C)c(=O)[n-]1	ZINC000012200557	207347367	/nfs/dbraw/zinc/34/73/67/207347367.db2.gz	FYFYLXYCSKZBNK-CQSZACIVSA-N	-1	1	351.497	2.918	40	0		FFABMM
CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2cc3ccccc3[nH]2)C1	ZINC000095635405	209085407	/nfs/dbraw/zinc/08/54/07/209085407.db2.gz	ZAVFIAZABDJRIZ-BBRMVZONSA-N	-1	1	359.426	2.893	40	0		FFABMM
COc1cc(C(=O)[O-])c2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2	ZINC000001598047	506266057	/nfs/dbraw/zinc/26/60/57/506266057.db2.gz	FUCWJKJZOHOLEO-UHFFFAOYSA-N	-1	1	358.302	2.853	40	0	biogenic,in-vitro	FFABMM
O=c1[n-]c(N2CCc3ccccc3C2)nc2c1CN(Cc1ccccc1)CN2	ZINC000008017875	506614410	/nfs/dbraw/zinc/61/44/10/506614410.db2.gz	ZUURJVARXNXZGZ-UHFFFAOYSA-N	-1	1	373.460	2.718	40	0		FFABMM
COc1c(C)cccc1CN1CCc2c(nc(-c3cnccn3)[n-]c2=O)C1	ZINC000019236004	507159082	/nfs/dbraw/zinc/15/90/82/507159082.db2.gz	CJDJLHMLKPQWSA-UHFFFAOYSA-N	-1	1	363.421	2.515	40	0		FFABMM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)cc1	ZINC000019936792	507206126	/nfs/dbraw/zinc/20/61/26/507206126.db2.gz	IIZRORPCUJHEBM-UHFFFAOYSA-N	-1	1	362.407	2.814	40	0		FFABMM
Cc1ncc2c(n1)[C@@]1(CCN(Cc3cc(F)c([O-])c(Cl)c3)C1)COC2	ZINC000247940949	509195097	/nfs/dbraw/zinc/19/50/97/509195097.db2.gz	GLPXVHPIQPDZOZ-GOSISDBHSA-N	-1	1	363.820	2.957	40	0		FFABMM
CC(=O)N1CCC[C@H]2[N@@H+](Cc3ccccc3OCC(=O)[O-])CCC[C@@]21C	ZINC000257286334	509972169	/nfs/dbraw/zinc/97/21/69/509972169.db2.gz	PLEKDWWYMJPINM-QUCCMNQESA-N	-1	1	360.454	2.515	40	0		FFABMM
CCc1nnc(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])o1	ZINC000211525769	571211851	/nfs/dbraw/zinc/21/18/51/571211851.db2.gz	LHSIYCRIOJFXRP-OQZOHAQUSA-N	-1	1	372.406	2.732	40	0		FFABMM
CC[C@@H](Sc1nc(C)cc(=O)[n-]1)C(=O)Nc1nc2c(s1)CCCC2	ZINC000018193247	209335764	/nfs/dbraw/zinc/33/57/64/209335764.db2.gz	JTDWUZNQNOVCKN-LLVKDONJSA-N	-1	1	364.496	2.923	40	0	aggregator	FFABMM
COCc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006502334	207141897	/nfs/dbraw/zinc/14/18/97/207141897.db2.gz	OIRQCZSLLOOXET-UHFFFAOYSA-N	-1	1	355.387	2.790	40	0		FFABMM
CSc1nc(C)c(CC(=O)N2CCn3c(C)ccc3[C@@H]2C(C)C)c(=O)[n-]1	ZINC000012325610	207360209	/nfs/dbraw/zinc/36/02/09/207360209.db2.gz	WVVYZZHCIGTMKL-KRWDZBQOSA-N	-1	1	374.510	2.692	40	0		FFABMM
COc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OC	ZINC000007601124	506572783	/nfs/dbraw/zinc/57/27/83/506572783.db2.gz	FFVZZMVTJKEADM-UHFFFAOYSA-N	-1	1	359.249	2.773	40	0		FFABMM
O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)ccc1F	ZINC000223372828	509337338	/nfs/dbraw/zinc/33/73/38/509337338.db2.gz	JIIPIPDRFYFAPT-UHFFFAOYSA-N	-1	1	356.400	2.660	40	0		FFABMM
O=S(=O)(c1ccc([O-])cc1)c1ccc(I)cc1	ZINC000001593162	506266834	/nfs/dbraw/zinc/26/68/34/506266834.db2.gz	MLNCPPINNAZQHV-UHFFFAOYSA-N	-1	1	360.172	2.830	40	0		FFABMM
COc1ccc(OC)c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000005134926	506424772	/nfs/dbraw/zinc/42/47/72/506424772.db2.gz	RTMFRHBOTSWWBK-UHFFFAOYSA-N	-1	1	365.407	2.522	40	0		FFABMM
COCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000015437765	507041920	/nfs/dbraw/zinc/04/19/20/507041920.db2.gz	CUETULFLHLBHFD-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000095101308	508173528	/nfs/dbraw/zinc/17/35/28/508173528.db2.gz	AJRPSKOHFOMSHX-DHSIGJKJSA-N	-1	1	364.829	2.776	40	0		FFABMM
COc1cc2[n-]c(=S)n(NC(=O)c3ccccc3)c(=O)c2cc1OC	ZINC000138801967	508779633	/nfs/dbraw/zinc/77/96/33/508779633.db2.gz	IPOHRILAIVFOLE-UHFFFAOYSA-N	-1	1	357.391	2.872	40	0		FFABMM
O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)cc1	ZINC000257236139	509960807	/nfs/dbraw/zinc/96/08/07/509960807.db2.gz	HAYKLAMZSPEPLC-INIZCTEOSA-N	-1	1	363.421	2.945	40	0		FFABMM
Cn1ccnc1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccc2C(=O)[O-])n1	ZINC000257291948	509972632	/nfs/dbraw/zinc/97/26/32/509972632.db2.gz	QJIZBDLGQFQSCS-GOSISDBHSA-N	-1	1	363.421	2.912	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(SC)c2)ccc1OC	ZINC000010008807	207292134	/nfs/dbraw/zinc/29/21/34/207292134.db2.gz	LKEVOMHCOAFLKP-UHFFFAOYSA-N	-1	1	366.464	2.578	40	0		FFABMM
O=C([O-])c1cnc2cc3c(cc2c1Nc1ccc2c(c1)OCO2)OCO3	ZINC000031771940	208017435	/nfs/dbraw/zinc/01/74/35/208017435.db2.gz	FHAZFINXOMZZSP-UHFFFAOYSA-N	-1	1	352.302	2.556	40	0		FFABMM
O=c1cc(CSc2ccccn2)[nH]c2nn(-c3ccc(F)cc3)c([O-])c21	ZINC000007499317	263351465	/nfs/dbraw/zinc/35/14/65/263351465.db2.gz	ZHYUUJHJHKGZDQ-UHFFFAOYSA-N	-1	1	368.393	2.834	40	0		FFABMM
O=c1c2c([O-])cc(CSc3ccccn3)[nH]c-2nn1-c1ccc(F)cc1	ZINC000007499317	263351467	/nfs/dbraw/zinc/35/14/67/263351467.db2.gz	ZHYUUJHJHKGZDQ-UHFFFAOYSA-N	-1	1	368.393	2.834	40	0		FFABMM
CC(C)OC(=O)c1ccc(-c2ccc(/C=C3/NC(=S)[N-]C3=O)o2)cc1	ZINC000000998158	506242408	/nfs/dbraw/zinc/24/24/08/506242408.db2.gz	XNXYQGCASXKTBL-NTEUORMPSA-N	-1	1	356.403	2.857	40	0		FFABMM
O=C(c1cccs1)C1=NO[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C12	ZINC000003849346	506349968	/nfs/dbraw/zinc/34/99/68/506349968.db2.gz	BDDTVIOSZIMITQ-SMDDNHRTSA-N	-1	1	360.778	2.529	40	0		FFABMM
CN(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccccc2OCC(=O)[O-])ccn1	ZINC000257303549	509974986	/nfs/dbraw/zinc/97/49/86/509974986.db2.gz	SHRBPCBCJPURLJ-KRWDZBQOSA-N	-1	1	355.438	2.948	40	0		FFABMM
CN(C)c1cc([C@@H]2CCCN2Cc2ccccc2OCC(=O)[O-])ccn1	ZINC000257303549	509974991	/nfs/dbraw/zinc/97/49/91/509974991.db2.gz	SHRBPCBCJPURLJ-KRWDZBQOSA-N	-1	1	355.438	2.948	40	0		FFABMM
O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)N1CCCC1	ZINC000409130231	513099339	/nfs/dbraw/zinc/09/93/39/513099339.db2.gz	MEURFTMVWCNHIS-DHDCSXOGSA-N	-1	1	355.419	2.588	40	0		FFABMM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)ccc21	ZINC000225100991	571014961	/nfs/dbraw/zinc/01/49/61/571014961.db2.gz	HWKPBMWQZBVPPS-UHFFFAOYSA-N	-1	1	372.446	2.989	40	0		FFABMM
Cc1csc([N-]c2nccnc2C2CCN(C(=O)c3cc[nH]n3)CC2)n1	ZINC000257340724	210005082	/nfs/dbraw/zinc/00/50/82/210005082.db2.gz	ZHHMGFBGEXRQRL-UHFFFAOYSA-N	-1	1	369.454	2.728	40	0		FFABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC)ccc1OC	ZINC000013683078	220086246	/nfs/dbraw/zinc/08/62/46/220086246.db2.gz	AFJDXMSLBUMIIB-UHFFFAOYSA-N	-1	1	362.451	2.808	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)NC(C)C	ZINC000010009003	207291803	/nfs/dbraw/zinc/29/18/03/207291803.db2.gz	GZSXSIFYYFXQQS-UHFFFAOYSA-N	-1	1	366.414	2.773	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1OC	ZINC000010008800	207292529	/nfs/dbraw/zinc/29/25/29/207292529.db2.gz	HJAGXVSSIBDXST-UHFFFAOYSA-N	-1	1	368.842	2.817	40	0		FFABMM
CCc1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101311	209021474	/nfs/dbraw/zinc/02/14/74/209021474.db2.gz	NALFAXLZETUAFN-RIFZZMRRSA-N	-1	1	358.438	2.685	40	0		FFABMM
O=C([O-])C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1	ZINC000514289406	263774894	/nfs/dbraw/zinc/77/48/94/263774894.db2.gz	SERBDVPJCHKGDF-STQMWFEESA-N	-1	1	359.401	2.594	40	0	biogenic,in-vitro	FFABMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(N)=O	ZINC000032081157	506228245	/nfs/dbraw/zinc/22/82/45/506228245.db2.gz	MLVBVQIFWJTYSF-UHFFFAOYSA-N	-1	1	358.341	2.914	40	0		FFABMM
COCc1cc(C)nc([N-]N=C2c3ccccc3N(C(C)C)C2=O)c1C#N	ZINC000006961371	506521196	/nfs/dbraw/zinc/52/11/96/506521196.db2.gz	QVDWKDYYKSCVMP-PTGBLXJZSA-N	-1	1	363.421	2.979	40	0		FFABMM
C[C@@H]1C=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]21	ZINC000007881695	506599045	/nfs/dbraw/zinc/59/90/45/506599045.db2.gz	FXXHMINIVZSXAG-YDEJPDAXSA-N	-1	1	353.205	2.835	40	0		FFABMM
O=c1cc(COc2ccccc2)[nH]c2nn(-c3ccc(F)cc3)c([O-])c21	ZINC000017072853	507113486	/nfs/dbraw/zinc/11/34/86/507113486.db2.gz	XZAOYPVRXKWUPI-UHFFFAOYSA-N	-1	1	351.337	2.725	40	0		FFABMM
O=c1c2c([O-])cc(COc3ccccc3)[nH]c-2nn1-c1ccc(F)cc1	ZINC000017072853	507113496	/nfs/dbraw/zinc/11/34/96/507113496.db2.gz	XZAOYPVRXKWUPI-UHFFFAOYSA-N	-1	1	351.337	2.725	40	0		FFABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc2o1	ZINC000019936383	507206374	/nfs/dbraw/zinc/20/63/74/507206374.db2.gz	ULBXALGSITVPEK-UHFFFAOYSA-N	-1	1	358.297	2.941	40	0		FFABMM
Cn1ccnc1-c1cncc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)n1	ZINC000257278814	509970194	/nfs/dbraw/zinc/97/01/94/509970194.db2.gz	ODTVBZDDSUBSAB-GOSISDBHSA-N	-1	1	363.421	2.912	40	0		FFABMM
Cn1ccnc1-c1cncc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)n1	ZINC000257278814	509970202	/nfs/dbraw/zinc/97/02/02/509970202.db2.gz	ODTVBZDDSUBSAB-GOSISDBHSA-N	-1	1	363.421	2.912	40	0		FFABMM
Cc1nnc(SC(=Cc2ccc(O)c(Br)c2)C(=O)[O-])[nH]1	ZINC000006588238	506489413	/nfs/dbraw/zinc/48/94/13/506489413.db2.gz	DORFSUHKYIMGMS-YHYXMXQVSA-N	-1	1	356.201	2.799	40	0		FFABMM
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000007402552	506560550	/nfs/dbraw/zinc/56/05/50/506560550.db2.gz	NVNQAAHAXDMYOF-UHFFFAOYSA-N	-1	1	359.762	2.987	40	0		FFABMM
Cn1c2ccc(CNn3c(-c4ccccc4)n[n-]c3=S)cc2n(C)c1=O	ZINC000007601524	506573131	/nfs/dbraw/zinc/57/31/31/506573131.db2.gz	YVFHWHXLSCYDQE-UHFFFAOYSA-N	-1	1	366.450	2.542	40	0		FFABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1	ZINC000014155096	506972424	/nfs/dbraw/zinc/97/24/24/506972424.db2.gz	LPWAXCWKVDXGIK-UHFFFAOYSA-N	-1	1	355.799	2.936	40	0		FFABMM
CCC(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1	ZINC000019499239	507174623	/nfs/dbraw/zinc/17/46/23/507174623.db2.gz	OITQZLKXPXUTCS-KRWDZBQOSA-N	-1	1	366.396	2.781	40	0		FFABMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000019936547	507205503	/nfs/dbraw/zinc/20/55/03/507205503.db2.gz	HTFQZKBAFWJBEM-UHFFFAOYSA-N	-1	1	352.799	2.894	40	0		FFABMM
O=C(CSc1nccc(=O)[n-]1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21	ZINC000107902244	507872832	/nfs/dbraw/zinc/87/28/32/507872832.db2.gz	HQIFBJFDSPGRHS-OCCSQVGLSA-N	-1	1	369.471	2.864	40	0		FFABMM
O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1	ZINC000257200006	509955728	/nfs/dbraw/zinc/95/57/28/509955728.db2.gz	ABPMHOONWDLFLT-QGZVFWFLSA-N	-1	1	363.421	2.740	40	0		FFABMM
O=C(c1cccs1)C1=NO[C@@H]2C(=O)N(c3ccccc3Cl)C([O-])=C12	ZINC000100354412	209214044	/nfs/dbraw/zinc/21/40/44/209214044.db2.gz	BDDTVIOSZIMITQ-FZMZJTMJSA-N	-1	1	360.778	2.529	40	0		FFABMM
O=C([O-])C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1	ZINC000004204029	207007810	/nfs/dbraw/zinc/00/78/10/207007810.db2.gz	WLFQPFBRUCDNRZ-CQSZACIVSA-N	-1	1	366.417	2.684	40	0		FFABMM
Cc1c(N[C@H](c2ccccc2)[P@](=O)([O-])O)c(=O)n(-c2ccccc2)n1C	ZINC000005881532	207120858	/nfs/dbraw/zinc/12/08/58/207120858.db2.gz	FNFVLNITGNOXIX-KRWDZBQOSA-N	-1	1	373.349	2.773	40	0		FFABMM
CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2cc3ccccc3[nH]2)C1	ZINC000095635404	209084622	/nfs/dbraw/zinc/08/46/22/209084622.db2.gz	ZAVFIAZABDJRIZ-CJNGLKHVSA-N	-1	1	359.426	2.893	40	0		FFABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1	ZINC000223292067	509334683	/nfs/dbraw/zinc/33/46/83/509334683.db2.gz	VIFWSXSQIBITOI-FMIVXFBMSA-N	-1	1	362.476	2.969	40	0		FFABMM
O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2cc([O-])ccc21	ZINC000225819708	509390641	/nfs/dbraw/zinc/39/06/41/509390641.db2.gz	JUOXHBLMTOAHKX-UHFFFAOYSA-N	-1	1	373.430	2.581	40	0		FFABMM
COC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408616652	513089634	/nfs/dbraw/zinc/08/96/34/513089634.db2.gz	AMPMNEMEFJKHQG-AWEZNQCLSA-N	-1	1	362.451	2.561	40	0		FFABMM
COc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1Cl	ZINC000223319492	209755260	/nfs/dbraw/zinc/75/52/60/209755260.db2.gz	GORMEDTWDOVBCV-UHFFFAOYSA-N	-1	1	368.798	2.892	40	0		FFABMM
CCC(CC)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000012241879	207351620	/nfs/dbraw/zinc/35/16/20/207351620.db2.gz	YWBBLYMWFSINJC-UHFFFAOYSA-N	-1	1	355.442	2.781	40	0		FFABMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1	ZINC000032587576	506266533	/nfs/dbraw/zinc/26/65/33/506266533.db2.gz	HBYCJRRHIXKUIS-UHFFFAOYSA-N	-1	1	353.371	2.730	40	0		FFABMM
COCc1ccc(CN2CCc3c(=O)[n-]c(-c4cccnc4)nc3C2)o1	ZINC000019594499	507186506	/nfs/dbraw/zinc/18/65/06/507186506.db2.gz	POWNICJLHNTBPE-UHFFFAOYSA-N	-1	1	352.394	2.542	40	0		FFABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1	ZINC000408608921	513088771	/nfs/dbraw/zinc/08/87/71/513088771.db2.gz	QKKWLOIANWUDCS-UHFFFAOYSA-N	-1	1	362.407	2.541	40	0		FFABMM
CCc1nnc(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])o1	ZINC000211525675	571211870	/nfs/dbraw/zinc/21/18/70/571211870.db2.gz	LHSIYCRIOJFXRP-AUWXEVLLSA-N	-1	1	372.406	2.732	40	0		FFABMM
Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc(F)cc2C)n1	ZINC000041152551	211770802	/nfs/dbraw/zinc/77/08/02/211770802.db2.gz	VCLDFUBMGOEQNF-UHFFFAOYSA-N	-1	1	361.398	2.971	40	0		FFABMM
O=S(=O)(Cc1ccccc1F)[N-]Cc1nc(-c2cccs2)no1	ZINC000223650890	509343407	/nfs/dbraw/zinc/34/34/07/509343407.db2.gz	PWTYNBTWYFWYSR-UHFFFAOYSA-N	-1	1	353.400	2.557	40	0		FFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2)ccc1Cl	ZINC000223826441	509349378	/nfs/dbraw/zinc/34/93/78/509349378.db2.gz	IWZGXNIBLPMJAJ-UHFFFAOYSA-N	-1	1	355.799	2.936	40	0		FFABMM
CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1	ZINC000225677244	509381985	/nfs/dbraw/zinc/38/19/85/509381985.db2.gz	JNWWDBNKWPLGQN-UHFFFAOYSA-N	-1	1	364.448	2.800	40	0		FFABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2sc1=O	ZINC000225687095	509384780	/nfs/dbraw/zinc/38/47/80/509384780.db2.gz	PPRNARSOOWENRL-UHFFFAOYSA-N	-1	1	364.448	2.892	40	0		FFABMM
CC(C)OC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000252584430	509853095	/nfs/dbraw/zinc/85/30/95/509853095.db2.gz	AJRPSKOHFOMSHX-XUWXXGDYSA-N	-1	1	364.829	2.776	40	0		FFABMM
C[C@@H]1C=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]21	ZINC000408643444	513090657	/nfs/dbraw/zinc/09/06/57/513090657.db2.gz	FXXHMINIVZSXAG-WLTAIBSBSA-N	-1	1	353.205	2.835	40	0		FFABMM
CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)n1	ZINC000257210850	526813667	/nfs/dbraw/zinc/81/36/67/526813667.db2.gz	BWJYAQKHNLNHMO-LJQANCHMSA-N	-1	1	353.422	2.753	40	0		FFABMM
Cc1csc([N-]c2nccnc2C2CCN(C(=O)c3cnco3)CC2)n1	ZINC000257340400	223072341	/nfs/dbraw/zinc/07/23/41/223072341.db2.gz	ZFWWZQTVQRIFMQ-UHFFFAOYSA-N	-1	1	370.438	2.993	40	0		FFABMM
COc1ccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c(OC)c1	ZINC000019937254	211262527	/nfs/dbraw/zinc/26/25/27/211262527.db2.gz	WRGZQDPUOMFASF-UHFFFAOYSA-N	-1	1	351.362	2.706	40	0		FFABMM
O=C(C1CCCC1)N1CCC[C@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013268065	211029588	/nfs/dbraw/zinc/02/95/88/211029588.db2.gz	JENFTVSUWLCETF-AWEZNQCLSA-N	-1	1	353.426	2.535	40	0		FFABMM
COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010314828	263364908	/nfs/dbraw/zinc/36/49/08/263364908.db2.gz	LRLJOOZULVYMSP-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
O=C([O-])C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1	ZINC000004204030	506366366	/nfs/dbraw/zinc/36/63/66/506366366.db2.gz	WLFQPFBRUCDNRZ-AWEZNQCLSA-N	-1	1	366.417	2.684	40	0		FFABMM
COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(OC)c1	ZINC000005134971	506424697	/nfs/dbraw/zinc/42/46/97/506424697.db2.gz	YIQPZSHEMWBEJQ-UHFFFAOYSA-N	-1	1	365.407	2.522	40	0		FFABMM
Cc1sc(NC(=O)CSc2nccc(=O)[n-]2)nc1-c1ccccc1	ZINC000006621877	506492667	/nfs/dbraw/zinc/49/26/67/506492667.db2.gz	MCSILJZNKJDNAH-UHFFFAOYSA-N	-1	1	358.448	2.933	40	0		FFABMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000007708082	506584248	/nfs/dbraw/zinc/58/42/48/506584248.db2.gz	YCWYTTFMOQHZFF-UHFFFAOYSA-N	-1	1	373.434	2.573	40	0		FFABMM
COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1	ZINC000026919536	507621844	/nfs/dbraw/zinc/62/18/44/507621844.db2.gz	UJTMSNMBSVYCKF-UHFFFAOYSA-N	-1	1	355.799	2.777	40	0		FFABMM
COCCC(=O)N1CCC[C@H](c2nccnc2[N-]c2nc(C)cs2)C1	ZINC000072363613	507780099	/nfs/dbraw/zinc/78/00/99/507780099.db2.gz	XUTQXBAMAGTBHG-ZDUSSCGKSA-N	-1	1	361.471	2.728	40	0		FFABMM
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C)c1	ZINC000224013831	509353477	/nfs/dbraw/zinc/35/34/77/509353477.db2.gz	PDRCPPQJVAQGRF-UHFFFAOYSA-N	-1	1	362.451	2.944	40	0		FFABMM
COc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)CC(C)(C)O2	ZINC000224261445	509354807	/nfs/dbraw/zinc/35/48/07/509354807.db2.gz	WVZRNDMVPLHGQA-CQSZACIVSA-N	-1	1	366.439	2.881	40	0		FFABMM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000408591684	513088123	/nfs/dbraw/zinc/08/81/23/513088123.db2.gz	JCAVWBXMNBQIKG-LLVKDONJSA-N	-1	1	368.842	2.654	40	0		FFABMM
CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2)ccc1C	ZINC000408619669	513089536	/nfs/dbraw/zinc/08/95/36/513089536.db2.gz	IJJSWGPZSBLJBN-UHFFFAOYSA-N	-1	1	362.451	2.944	40	0		FFABMM
O=C([O-])c1ccccc1-n1cc(CN2CCC[C@@H](c3ccncn3)C2)cn1	ZINC000257221750	223027058	/nfs/dbraw/zinc/02/70/58/223027058.db2.gz	DQJDTFWSNIQDPW-MRXNPFEDSA-N	-1	1	363.421	2.740	40	0		FFABMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000019936545	211262231	/nfs/dbraw/zinc/26/22/31/211262231.db2.gz	JTKLQRSJQHKNML-UHFFFAOYSA-N	-1	1	352.799	2.894	40	0		FFABMM
Cc1c2ccccc2oc1C(=O)NCc1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019566297	211236340	/nfs/dbraw/zinc/23/63/40/211236340.db2.gz	TYOCOVLUYHAMCS-UHFFFAOYSA-N	-1	1	360.373	2.817	40	0		FFABMM
COCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000015437784	211131156	/nfs/dbraw/zinc/13/11/56/211131156.db2.gz	SAPRWPPLZAQERA-UHFFFAOYSA-N	-1	1	362.451	2.562	40	0		FFABMM
CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)ccc2O1	ZINC000223667855	509343511	/nfs/dbraw/zinc/34/35/11/509343511.db2.gz	JSPJOIFOILRXMZ-UHFFFAOYSA-N	-1	1	360.435	2.690	40	0		FFABMM
COc1ccc(-n2c(=N)sc3c2nc(-c2ccccc2)[n-]c3=O)cc1	ZINC000226851343	509403754	/nfs/dbraw/zinc/40/37/54/509403754.db2.gz	TVEOYWMGRIMGOZ-UHFFFAOYSA-N	-1	1	350.403	2.930	40	0		FFABMM
O=C([O-])c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1	ZINC000263583270	510759556	/nfs/dbraw/zinc/75/95/56/510759556.db2.gz	ZRZJNOVNRLRKPL-UHFFFAOYSA-N	-1	1	351.406	2.865	40	0		FFABMM
COc1ccccc1NC(=O)CN1CCC(C(=O)[O-])(c2ccccc2)CC1	ZINC000408546820	513086346	/nfs/dbraw/zinc/08/63/46/513086346.db2.gz	GPUSRXJTEHYJGO-UHFFFAOYSA-N	-1	1	368.433	2.752	40	0		FFABMM
Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3cccnc3)CC2)cc1	ZINC000408608980	513089478	/nfs/dbraw/zinc/08/94/78/513089478.db2.gz	NIDWWOPOZNRBMA-IBGZPJMESA-N	-1	1	367.449	2.754	40	0		FFABMM
O=C([O-])c1cccc(O[C@@H]2CN(Cc3cc4ccccc4o3)C[C@H]2O)c1	ZINC000257340540	223071699	/nfs/dbraw/zinc/07/16/99/223071699.db2.gz	ZGQAYBNTGOPGCX-IEBWSBKVSA-N	-1	1	353.374	2.755	40	0		FFABMM
O=c1[n-]c(-c2ccccn2)nc2c1CN(Cc1cc(F)ccc1F)CC2	ZINC000019403165	211220334	/nfs/dbraw/zinc/22/03/34/211220334.db2.gz	KMTNZHAOBYWUPA-UHFFFAOYSA-N	-1	1	354.360	2.668	40	0		FFABMM
COc1cc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc(OC)c1O	ZINC000013660048	211046100	/nfs/dbraw/zinc/04/61/00/211046100.db2.gz	XEHLDSAKZSXOFK-UHFFFAOYSA-N	-1	1	374.345	2.906	40	0	biogenic	FFABMM
O=C(CSc1nccc(=O)[n-]1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21	ZINC000107902259	507873036	/nfs/dbraw/zinc/87/30/36/507873036.db2.gz	HQIFBJFDSPGRHS-GXTWGEPZSA-N	-1	1	369.471	2.864	40	0		FFABMM
COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000224027952	509353902	/nfs/dbraw/zinc/35/39/02/509353902.db2.gz	YGZHCWAZLXEFFT-UHFFFAOYSA-N	-1	1	368.842	2.517	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1OC	ZINC000408713231	513092154	/nfs/dbraw/zinc/09/21/54/513092154.db2.gz	OSWUXWSYLOGITO-UHFFFAOYSA-N	-1	1	359.407	2.895	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1OC	ZINC000013678581	211049379	/nfs/dbraw/zinc/04/93/79/211049379.db2.gz	GTDDTPCGVUCBKP-UHFFFAOYSA-N	-1	1	368.842	2.817	40	0		FFABMM
O=c1c2c([O-])cc(-c3ccco3)[nH]c-2nn1-c1nc2ccccc2s1	ZINC000009926408	506717918	/nfs/dbraw/zinc/71/79/18/506717918.db2.gz	YASUKOZHMHIWLM-UHFFFAOYSA-N	-1	1	350.359	2.877	40	0		FFABMM
Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN3CCC(=O)[O-])n2)n1	ZINC000072384683	507782099	/nfs/dbraw/zinc/78/20/99/507782099.db2.gz	LUBQOBWEQFEBFN-AWEZNQCLSA-N	-1	1	356.430	2.547	40	0		FFABMM
Cc1ncc2c(n1)[C@]1(CCN(Cc3cc(F)c([O-])c(Cl)c3)C1)COC2	ZINC000247940952	509195814	/nfs/dbraw/zinc/19/58/14/509195814.db2.gz	GLPXVHPIQPDZOZ-SFHVURJKSA-N	-1	1	363.820	2.957	40	0		FFABMM
CC1=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1	ZINC000408650291	513090507	/nfs/dbraw/zinc/09/05/07/513090507.db2.gz	MGOSZSOHIDKEQB-CMPLNLGQSA-N	-1	1	353.205	2.980	40	0		FFABMM
CC(C)(C)OC(=O)NCCCC[C@@H](NCOCc1ccccc1)C(=O)[O-]	ZINC000390822738	518830541	/nfs/dbraw/zinc/83/05/41/518830541.db2.gz	IKIQULBPWJPZBN-MRXNPFEDSA-N	-1	1	366.458	2.899	40	0		FFABMM
COc1cc([O-])c2c(=O)c(OC)c(-c3cc(O)c(OC)c(OC)c3)oc2c1	ZINC000014436792	220124831	/nfs/dbraw/zinc/12/48/31/220124831.db2.gz	LLDTYMGZAXZDDU-UHFFFAOYSA-N	-1	1	374.345	2.906	40	0	biogenic,in-vitro	FFABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2o1	ZINC000019936369	211261096	/nfs/dbraw/zinc/26/10/96/211261096.db2.gz	LMGRQHLZWXSXLE-UHFFFAOYSA-N	-1	1	369.196	2.684	40	0		FFABMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000100257491	222240936	/nfs/dbraw/zinc/24/09/36/222240936.db2.gz	JHVAFDQAKMFLDH-IAGOWNOFSA-N	-1	1	353.374	2.532	40	0		FFABMM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(OC)c3)ccc21	ZINC000006729021	506500319	/nfs/dbraw/zinc/50/03/19/506500319.db2.gz	XKQQPUYVMFXXDT-UHFFFAOYSA-N	-1	1	360.435	2.795	40	0		FFABMM
Cc1cc(NC(=O)CSc2nccc(=O)[n-]2)ccc1Br	ZINC000009138283	506683744	/nfs/dbraw/zinc/68/37/44/506683744.db2.gz	XAMDIZHQJYUGPZ-UHFFFAOYSA-N	-1	1	354.229	2.572	40	0		FFABMM
COc1ccc(-c2cc(O)c3c([n-]n(-c4ccc(OC)cc4)c3=O)n2)cc1	ZINC000017074713	507114694	/nfs/dbraw/zinc/11/46/94/507114694.db2.gz	KAANLLTWLMZQEG-UHFFFAOYSA-N	-1	1	363.373	2.691	40	0		FFABMM
O=C(c1ccccc1[O-])N1N=CC[C@@]1(O)c1cccc(Br)c1	ZINC000059381747	507498772	/nfs/dbraw/zinc/49/87/72/507498772.db2.gz	NIFXGMVDISUJFR-MRXNPFEDSA-N	-1	1	361.195	2.832	40	0		FFABMM
CN(C)c1cc([C@H]2CCCN2Cc2ccccc2OCC(=O)[O-])ccn1	ZINC000257303550	529774104	/nfs/dbraw/zinc/77/41/04/529774104.db2.gz	SHRBPCBCJPURLJ-QGZVFWFLSA-N	-1	1	355.438	2.948	40	0		FFABMM
CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1	ZINC000111135663	210168282	/nfs/dbraw/zinc/16/82/82/210168282.db2.gz	PWTCNIBEZZPEAR-UHFFFAOYSA-N	-1	1	358.419	2.714	40	0		FFABMM
Cc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cl	ZINC000045866082	211824213	/nfs/dbraw/zinc/82/42/13/211824213.db2.gz	JGXLBUGCRVOVRV-UHFFFAOYSA-N	-1	1	359.856	2.853	40	0		FFABMM
CCc1[nH]c(=O)c(C(=O)Nc2cccc(-n3[n-]c(C)cc3=O)c2)cc1C	ZINC000019521485	211225117	/nfs/dbraw/zinc/22/51/17/211225117.db2.gz	IJVJPDMIZGRVDC-UHFFFAOYSA-N	-1	1	352.394	2.611	40	0		FFABMM
O=c1[nH]c(Br)c(Br)c2c(Br)n[n-]c21	ZINC000104926135	222362901	/nfs/dbraw/zinc/36/29/01/222362901.db2.gz	GBISFUVUAXDHTF-UHFFFAOYSA-N	-1	1	371.814	2.539	40	0		FFABMM
O=c1[nH]c(Br)c(Br)c2c(Br)[n-]nc21	ZINC000104926135	222362904	/nfs/dbraw/zinc/36/29/04/222362904.db2.gz	GBISFUVUAXDHTF-UHFFFAOYSA-N	-1	1	371.814	2.539	40	0		FFABMM
COc1cc(OC)c(OC)cc1CNn1c(=S)[n-]nc1-c1ccncc1	ZINC000008469651	263354911	/nfs/dbraw/zinc/35/49/11/263354911.db2.gz	KXZSAQDZFUNQAH-UHFFFAOYSA-N	-1	1	373.438	2.772	40	0		FFABMM
O=C(CC1CCCC1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000012258576	506840481	/nfs/dbraw/zinc/84/04/81/506840481.db2.gz	UPFHHNASANZTMH-UHFFFAOYSA-N	-1	1	367.453	2.926	40	0		FFABMM
COCCC(=O)N1CCC[C@@H](c2nccnc2[N-]c2nc(C)cs2)C1	ZINC000072363612	507779900	/nfs/dbraw/zinc/77/99/00/507779900.db2.gz	XUTQXBAMAGTBHG-CYBMUJFWSA-N	-1	1	361.471	2.728	40	0		FFABMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Cl)c1)oc(=O)n2C	ZINC000223334417	509335451	/nfs/dbraw/zinc/33/54/51/509335451.db2.gz	DGGGDGYWPBDORX-UHFFFAOYSA-N	-1	1	352.799	2.894	40	0		FFABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3cccc(F)c3)cc2oc1=O	ZINC000223353768	509337684	/nfs/dbraw/zinc/33/76/84/509337684.db2.gz	DNZIEVBVGSGNLB-UHFFFAOYSA-N	-1	1	350.371	2.863	40	0		FFABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1C	ZINC000408610044	513089590	/nfs/dbraw/zinc/08/95/90/513089590.db2.gz	UPYMLIQLNBWLBN-UHFFFAOYSA-N	-1	1	356.806	2.948	40	0		FFABMM
Cc1sc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000571172256	518962284	/nfs/dbraw/zinc/96/22/84/518962284.db2.gz	RPIVZDUCFKEIJF-SNVBAGLBSA-N	-1	1	368.480	2.595	40	0		FFABMM
CCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1C	ZINC000020156604	571133550	/nfs/dbraw/zinc/13/35/50/571133550.db2.gz	ULVPUHSQCZMLDN-UHFFFAOYSA-N	-1	1	356.425	2.658	40	0		FFABMM
Cn1ccnc1-c1cncc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])c2)n1	ZINC000257278815	223048894	/nfs/dbraw/zinc/04/88/94/223048894.db2.gz	ODTVBZDDSUBSAB-SFHVURJKSA-N	-1	1	363.421	2.912	40	0		FFABMM
CNc1cc([C@@H]2CCCN2Cc2ccccc2OCC(=O)[O-])nc(C)n1	ZINC000257233616	533053927	/nfs/dbraw/zinc/05/39/27/533053927.db2.gz	GPZSIXBCHLQBIL-INIZCTEOSA-N	-1	1	356.426	2.627	40	0		FFABMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccc(Br)cc1Cl	ZINC000006309590	506476002	/nfs/dbraw/zinc/47/60/02/506476002.db2.gz	QZIHIMRKNHJYDU-UHFFFAOYSA-N	-1	1	374.647	2.917	40	0		FFABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)c1	ZINC000408608830	513088710	/nfs/dbraw/zinc/08/87/10/513088710.db2.gz	PXGSTPJVKPTJLO-UHFFFAOYSA-N	-1	1	361.423	2.713	40	0		FFABMM
COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(N)c1	ZINC000020015427	220308743	/nfs/dbraw/zinc/30/87/43/220308743.db2.gz	NAYDZAOJSPJJJQ-UHFFFAOYSA-N	-1	1	357.229	2.841	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2)cc1	ZINC000055639682	221072831	/nfs/dbraw/zinc/07/28/31/221072831.db2.gz	KAPQDYVOCHPJEW-UHFFFAOYSA-N	-1	1	362.451	2.882	40	0		FFABMM
O=C(C1=NO[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C12)c1ccc(Cl)cc1	ZINC000100355479	222241800	/nfs/dbraw/zinc/24/18/00/222241800.db2.gz	GNLAIJHEZRELJG-BBRMVZONSA-N	-1	1	372.739	2.606	40	0		FFABMM
Cc1cc(C)nc(-n2[n-]c3nc(-c4ccccc4)c(Cl)c(O)c3c2=O)n1	ZINC000005452449	506444889	/nfs/dbraw/zinc/44/48/89/506444889.db2.gz	XFELEFDDQZXDCY-UHFFFAOYSA-N	-1	1	367.796	2.734	40	0		FFABMM
O=C([N-]c1ccon1)c1cc(S(=O)(=O)N2CCCCCC2)cs1	ZINC000006680759	506496690	/nfs/dbraw/zinc/49/66/90/506496690.db2.gz	NFSBZTYGRGPVQP-UHFFFAOYSA-N	-1	1	355.441	2.553	40	0		FFABMM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1c(C)nn(-c2ccccc2)c1C	ZINC000008059939	506617116	/nfs/dbraw/zinc/61/71/16/506617116.db2.gz	LTNYJESCWOFYCO-UHFFFAOYSA-N	-1	1	360.439	2.572	40	0		FFABMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000223935751	509350634	/nfs/dbraw/zinc/35/06/34/509350634.db2.gz	FGNPQKWAQCNUPK-INIZCTEOSA-N	-1	1	374.462	2.705	40	0		FFABMM
O=C(NCc1ccco1)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O	ZINC000000819384	219325418	/nfs/dbraw/zinc/32/54/18/219325418.db2.gz	AJNBLZSCJQAXBS-KRWDZBQOSA-N	-1	1	370.792	2.835	40	0		FFABMM
Cc1cc(=O)[n-]c([C@@H]2CN(Cc3c[nH]nc3-c3cccs3)CCO2)n1	ZINC000257235280	223031742	/nfs/dbraw/zinc/03/17/42/223031742.db2.gz	GXDRFQZKQALUTL-ZDUSSCGKSA-N	-1	1	357.439	2.516	40	0		FFABMM
CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000032601575	506269852	/nfs/dbraw/zinc/26/98/52/506269852.db2.gz	LJQKVIFDIHMTPS-UHFFFAOYSA-N	-1	1	365.407	2.983	40	0		FFABMM
CCOc1ccc(NC(=O)[C@@H](Cc2cccc(C)c2)c2nn[n-]n2)cc1	ZINC000005444529	506442585	/nfs/dbraw/zinc/44/25/85/506442585.db2.gz	KRALZCOGKHYIPR-KRWDZBQOSA-N	-1	1	351.410	2.872	40	0		FFABMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1	ZINC000005457560	506444861	/nfs/dbraw/zinc/44/48/61/506444861.db2.gz	JHVAFDQAKMFLDH-SJORKVTESA-N	-1	1	353.374	2.532	40	0		FFABMM
O=C([O-])Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1	ZINC000010476067	506744349	/nfs/dbraw/zinc/74/43/49/506744349.db2.gz	HFCDSIKFYUNAEU-UHFFFAOYSA-N	-1	1	368.418	2.830	40	0		FFABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1c[nH]c3ccccc13)C2	ZINC000012120675	506819509	/nfs/dbraw/zinc/81/95/09/506819509.db2.gz	FGPRRGGUDRJSFD-UHFFFAOYSA-N	-1	1	357.417	2.872	40	0		FFABMM
CCOC(=O)c1nc2nc(CSc3ccc(Cl)cc3)cc(=O)n2[n-]1	ZINC000100069527	508238120	/nfs/dbraw/zinc/23/81/20/508238120.db2.gz	STPBOSVFUAFYRI-UHFFFAOYSA-N	-1	1	364.814	2.540	40	0		FFABMM
Cc1ccccc1-c1noc(C[N-]S(=O)(=O)Cc2ccccc2F)n1	ZINC000223632928	509344494	/nfs/dbraw/zinc/34/44/94/509344494.db2.gz	YILXVEDOJGVBTC-UHFFFAOYSA-N	-1	1	361.398	2.804	40	0		FFABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1Cl	ZINC000223826527	222795770	/nfs/dbraw/zinc/79/57/70/222795770.db2.gz	JGHJWMFQFYPGCK-UHFFFAOYSA-N	-1	1	355.799	2.936	40	0		FFABMM
O=c1c2ccccc2cnn1Cc1n[n-]c(=S)n1[C@H]1C[C@@H]2C=C[C@H]1C2	ZINC000006062765	506465995	/nfs/dbraw/zinc/46/59/95/506465995.db2.gz	VJLNIPBZTXRVDF-XUJVJEKNSA-N	-1	1	351.435	2.836	40	0		FFABMM
O=C(CSc1nccc(=O)[n-]1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21	ZINC000107902254	507872756	/nfs/dbraw/zinc/87/27/56/507872756.db2.gz	HQIFBJFDSPGRHS-TZMCWYRMSA-N	-1	1	369.471	2.864	40	0		FFABMM
C[C@@H]1C=CC[C@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]21	ZINC000136512368	508698378	/nfs/dbraw/zinc/69/83/78/508698378.db2.gz	FXXHMINIVZSXAG-XTWCZFFVSA-N	-1	1	353.205	2.835	40	0		FFABMM
CCOc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1	ZINC000225087424	509364356	/nfs/dbraw/zinc/36/43/56/509364356.db2.gz	PIAHXFSNRMXXQY-UHFFFAOYSA-N	-1	1	374.418	2.540	40	0		FFABMM
COc1ccc2c(c1)OC(C)(C)C[C@H]2[N-]S(=O)(=O)c1c(C)noc1C	ZINC000225228642	509366901	/nfs/dbraw/zinc/36/69/01/509366901.db2.gz	OPPWSAWAKAYDJG-CQSZACIVSA-N	-1	1	366.439	2.881	40	0		FFABMM
NC(=O)c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)o1	ZINC000226306513	509398132	/nfs/dbraw/zinc/39/81/32/509398132.db2.gz	BDTBNNOAUGTWGL-UHFFFAOYSA-N	-1	1	360.366	2.985	40	0		FFABMM
COc1ccc(NC(=O)CN2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1	ZINC000408547176	513086095	/nfs/dbraw/zinc/08/60/95/513086095.db2.gz	TWABFAIDTGGZSR-UHFFFAOYSA-N	-1	1	368.433	2.752	40	0		FFABMM
CCCCCn1c([O-])c(C(=O)Nc2ncccn2)c(=O)c2ccccc21	ZINC000006068173	1071162250	/nfs/dbraw/zinc/16/22/50/1071162250.db2.gz	DXGHOSCTORISPW-UHFFFAOYSA-N	-1	1	352.394	2.940	40	0		FFABMM
COc1cc(N)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000000892216	219338024	/nfs/dbraw/zinc/33/80/24/219338024.db2.gz	TVTFCYWHPWSUCR-UHFFFAOYSA-N	-1	1	357.229	2.841	40	0		FFABMM
COc1ccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1OC	ZINC000019937256	220306868	/nfs/dbraw/zinc/30/68/68/220306868.db2.gz	PMBUQAYIZZVLEN-UHFFFAOYSA-N	-1	1	351.362	2.706	40	0		FFABMM
COC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010364264	506741216	/nfs/dbraw/zinc/74/12/16/506741216.db2.gz	FGVXAAFFEWSGGR-AWEZNQCLSA-N	-1	1	362.451	2.561	40	0		FFABMM
CSc1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000045866072	507037102	/nfs/dbraw/zinc/03/71/02/507037102.db2.gz	ZHQVNBQFUDBXET-UHFFFAOYSA-N	-1	1	357.478	2.613	40	0		FFABMM
CCOc1ccccc1C(=O)[N-]C(=O)C[C@H]1Sc2ccccc2NC1=O	ZINC000001086627	219367481	/nfs/dbraw/zinc/36/74/81/219367481.db2.gz	PQNVFXDYNXOICY-MRXNPFEDSA-N	-1	1	370.430	2.845	40	0		FFABMM
CC(C)CCc1c([O-])nc(SCC(=O)Nc2ccccc2F)[nH]c1=O	ZINC000013453873	220068126	/nfs/dbraw/zinc/06/81/26/220068126.db2.gz	OFOCPSHJPJIZBG-UHFFFAOYSA-N	-1	1	365.430	2.934	40	0		FFABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(F)c(F)c2)C3)cn1	ZINC000019239050	220242877	/nfs/dbraw/zinc/24/28/77/220242877.db2.gz	ISWCBXVJWBTETL-UHFFFAOYSA-N	-1	1	369.375	2.784	40	0		FFABMM
CCOc1cccc2c(C)nc(Nc3nc(C)c(CCOC)c(=O)[n-]3)nc12	ZINC000020798015	220342076	/nfs/dbraw/zinc/34/20/76/220342076.db2.gz	DWQOVSHWXORGAE-UHFFFAOYSA-N	-1	1	369.425	2.661	40	0		FFABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1C	ZINC000007361108	506556359	/nfs/dbraw/zinc/55/63/59/506556359.db2.gz	NGLRDYQEGMLHGJ-UHFFFAOYSA-N	-1	1	353.371	2.730	40	0		FFABMM
CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccco2)n1	ZINC000012126432	506818932	/nfs/dbraw/zinc/81/89/32/506818932.db2.gz	PCNCNGGDWWDUOJ-UHFFFAOYSA-N	-1	1	353.382	2.802	40	0		FFABMM
CN(C)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[n-]c(=O)c3C2)cc1	ZINC000012144705	506823486	/nfs/dbraw/zinc/82/34/86/506823486.db2.gz	OPMLHBYUJMSITH-UHFFFAOYSA-N	-1	1	374.444	2.701	40	0		FFABMM
CCc1n[nH]c([N-]S(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c1C	ZINC000012147684	506824362	/nfs/dbraw/zinc/82/43/62/506824362.db2.gz	OBKZWLFAHNMEBI-UHFFFAOYSA-N	-1	1	362.455	2.517	40	0		FFABMM
COc1cccc(CN2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)c1	ZINC000012329763	506852243	/nfs/dbraw/zinc/85/22/43/506852243.db2.gz	UOEAVSKVSVOGFZ-UHFFFAOYSA-N	-1	1	350.422	2.879	40	0		FFABMM
CCc1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101313	508173543	/nfs/dbraw/zinc/17/35/43/508173543.db2.gz	NALFAXLZETUAFN-KNBMTAEXSA-N	-1	1	358.438	2.685	40	0		FFABMM
Cc1cc2cc(C(=O)N3CCO[C@H](c4nc(C)cc(=O)[n-]4)C3)ccc2o1	ZINC000257260465	534083856	/nfs/dbraw/zinc/08/38/56/534083856.db2.gz	LCYZRDKYVYSXJH-INIZCTEOSA-N	-1	1	353.378	2.759	40	0		FFABMM
Cc1ccc2nc(C[C@H]3CN(C(=O)C4CC4)CC[C@H]3CC(=O)[O-])[nH]c2c1	ZINC000514288678	560034515	/nfs/dbraw/zinc/03/45/15/560034515.db2.gz	KHXJSERNUXHHSP-GJZGRUSLSA-N	-1	1	355.438	2.763	40	0	biogenic,in-vitro	FFABMM
Cc1ccc(C(=O)N2CCCC[C@@H]2c2[n-]ncc2S(C)(=O)=O)s1	ZINC000257329217	223067709	/nfs/dbraw/zinc/06/77/09/223067709.db2.gz	XIZHXEGUJSLJJJ-LLVKDONJSA-N	-1	1	353.469	2.551	40	0		FFABMM
Cc1ccc(C(=O)N2CCCC[C@@H]2c2n[n-]cc2S(C)(=O)=O)s1	ZINC000257329217	223067714	/nfs/dbraw/zinc/06/77/14/223067714.db2.gz	XIZHXEGUJSLJJJ-LLVKDONJSA-N	-1	1	353.469	2.551	40	0		FFABMM
CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000013339968	220064579	/nfs/dbraw/zinc/06/45/79/220064579.db2.gz	BEBKSQYBOHOJIQ-UHFFFAOYSA-N	-1	1	368.798	2.797	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1	ZINC000030530780	507809890	/nfs/dbraw/zinc/80/98/90/507809890.db2.gz	LPZFGJQYNBICPG-UHFFFAOYSA-N	-1	1	360.435	2.732	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2c(C)nc(N(C)C)nc2C)c(C)c1C	ZINC000224296329	509355698	/nfs/dbraw/zinc/35/56/98/509355698.db2.gz	GNEDAQTVICNAIO-UHFFFAOYSA-N	-1	1	364.471	2.586	40	0		FFABMM
O=C([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Br)cc2)c1	ZINC000225324681	509368983	/nfs/dbraw/zinc/36/89/83/509368983.db2.gz	KGDGYAHPGPLSJW-UHFFFAOYSA-N	-1	1	372.196	2.654	40	0		FFABMM
CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(OC)c(OC)c1	ZINC000225837422	509392004	/nfs/dbraw/zinc/39/20/04/509392004.db2.gz	OMIQNFNIJUUJFY-ZDUSSCGKSA-N	-1	1	354.428	2.738	40	0		FFABMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1	ZINC000408679709	513090810	/nfs/dbraw/zinc/09/08/10/513090810.db2.gz	KAOXOESHUBLPDZ-UHFFFAOYSA-N	-1	1	353.371	2.730	40	0		FFABMM
CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2C(=O)[O-])n1	ZINC000257272878	526814243	/nfs/dbraw/zinc/81/42/43/526814243.db2.gz	NEEXOMDKENZSTI-IBGZPJMESA-N	-1	1	353.422	2.753	40	0		FFABMM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC)sc2C)cc1	ZINC000006680016	219746743	/nfs/dbraw/zinc/74/67/43/219746743.db2.gz	QWLMCTCEIVAJDQ-UHFFFAOYSA-N	-1	1	354.453	2.616	40	0		FFABMM
O=C(C1CCCC1)N1CCC[C@@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013268063	220062157	/nfs/dbraw/zinc/06/21/57/220062157.db2.gz	JENFTVSUWLCETF-CQSZACIVSA-N	-1	1	353.426	2.535	40	0		FFABMM
CSc1ccccc1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1	ZINC000055556644	221071616	/nfs/dbraw/zinc/07/16/16/221071616.db2.gz	WCAIZNCRQBLQIS-UHFFFAOYSA-N	-1	1	364.492	2.888	40	0		FFABMM
Cc1[nH]c2ccc(C(=O)NCc3cc(=O)[n-]c(-c4ccccn4)n3)cc2c1C	ZINC000019576827	263374114	/nfs/dbraw/zinc/37/41/14/263374114.db2.gz	ILCHPLZFYQXEHI-UHFFFAOYSA-N	-1	1	373.416	2.860	40	0		FFABMM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3F)c(Cl)cc21	ZINC000223343427	509335915	/nfs/dbraw/zinc/33/59/15/509335915.db2.gz	CPSONFHSHFQJEP-UHFFFAOYSA-N	-1	1	356.762	2.725	40	0		FFABMM
COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1Cl	ZINC000020156598	571133892	/nfs/dbraw/zinc/13/38/92/571133892.db2.gz	WRYXEKPCHCTJFL-UHFFFAOYSA-N	-1	1	362.816	2.613	40	0		FFABMM
O=C(NCc1ccco1)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O	ZINC000000819385	219325680	/nfs/dbraw/zinc/32/56/80/219325680.db2.gz	AJNBLZSCJQAXBS-QGZVFWFLSA-N	-1	1	370.792	2.835	40	0		FFABMM
O=C(c1cccs1)C1=NO[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C12	ZINC000100354425	222241300	/nfs/dbraw/zinc/24/13/00/222241300.db2.gz	BDDTVIOSZIMITQ-BXUZGUMPSA-N	-1	1	360.778	2.529	40	0		FFABMM
COC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000010314262	263364448	/nfs/dbraw/zinc/36/44/48/263364448.db2.gz	XHRYJAGASTXHBD-CQSZACIVSA-N	-1	1	362.451	2.561	40	0		FFABMM
Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)o1	ZINC000004111875	506358679	/nfs/dbraw/zinc/35/86/79/506358679.db2.gz	BXZOMEVXBOXWEF-IOASZLSFSA-N	-1	1	368.311	2.692	40	0		FFABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)c(C)s1	ZINC000006680073	506497182	/nfs/dbraw/zinc/49/71/82/506497182.db2.gz	XHRSJYHOWRRCQW-UHFFFAOYSA-N	-1	1	354.453	2.616	40	0		FFABMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000008334428	506643811	/nfs/dbraw/zinc/64/38/11/506643811.db2.gz	XPGFRTDCTWTAKE-NTEUORMPSA-N	-1	1	357.460	2.978	40	0		FFABMM
O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000012199964	506833885	/nfs/dbraw/zinc/83/38/85/506833885.db2.gz	RDFIEYZEPKVEHW-UHFFFAOYSA-N	-1	1	364.810	2.794	40	0		FFABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1	ZINC000028195532	507712579	/nfs/dbraw/zinc/71/25/79/507712579.db2.gz	PPOMATKLLQZVQI-UHFFFAOYSA-N	-1	1	362.407	2.541	40	0		FFABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2C)cc1	ZINC000224012710	509352571	/nfs/dbraw/zinc/35/25/71/509352571.db2.gz	QWAUGOBOIVEFAU-UHFFFAOYSA-N	-1	1	360.435	2.697	40	0		FFABMM
CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1OC	ZINC000408698520	513091020	/nfs/dbraw/zinc/09/10/20/513091020.db2.gz	QOLUBYYPPGYULT-UHFFFAOYSA-N	-1	1	352.387	2.984	40	0		FFABMM