smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1	ZINC000008591149	562951953	/nfs/dbraw/zinc/95/19/53/562951953.db2.gz	BQGFONITRZJJEB-CQSZACIVSA-N	-1	1	427.526	3.524	1	0		IHAFMM
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4)c3O)[nH]c2c1	ZINC000014956750	563015945	/nfs/dbraw/zinc/01/59/45/563015945.db2.gz	FXLFNEVHWHPROF-INIZCTEOSA-N	-1	1	444.447	3.529	1	0		IHAFMM
COC(CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@H]1c1ccccc1)OC	ZINC000028124986	563051229	/nfs/dbraw/zinc/05/12/29/563051229.db2.gz	FUXZKJRJNUZTKJ-SQJMNOBHSA-N	-1	1	434.492	3.703	1	0		IHAFMM
O=[P@]([O-])(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1)Oc1ccccc1	ZINC000029326156	563077998	/nfs/dbraw/zinc/07/79/98/563077998.db2.gz	PFPVFUBQMWFXDN-NRFANRHFSA-N	-1	1	435.424	3.962	1	0		IHAFMM
COc1cc(-c2c3c(c([O-])c4c2cc2c(c4OC)OCO2)COC3=O)cc(OC)c1OC	ZINC000031425131	563083325	/nfs/dbraw/zinc/08/33/25/563083325.db2.gz	OJSCBCNNQXLIJG-UHFFFAOYSA-N	-1	1	440.404	3.646	1	0		IHAFMM
O=c1[nH]c2cccc([C@@H](NC(c3ccccc3)c3ccccc3)[P@@](=O)([O-])O)c2[nH]c1=O	ZINC000013440513	562986210	/nfs/dbraw/zinc/98/62/10/562986210.db2.gz	JWROJMWCABTNDS-QFIPXVFZSA-N	-1	1	437.392	3.597	1	0		IHAFMM
CC(=O)Oc1c([O-])c2c(=O)cc(-c3ccccc3)oc2c(Br)c1OC(C)=O	ZINC000013584571	562994922	/nfs/dbraw/zinc/99/49/22/562994922.db2.gz	NTXZFYNQSHRXSP-UHFFFAOYSA-N	-1	1	433.210	3.779	1	0		IHAFMM
O=C([O-])[C@H](CNC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1	ZINC000013860629	563012567	/nfs/dbraw/zinc/01/25/67/563012567.db2.gz	FIEWTBHPTPMJPY-OAQYLSRUSA-N	-1	1	432.524	3.685	1	0		IHAFMM
COC(CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@@H]1c1ccccc1)OC	ZINC000028124974	563051224	/nfs/dbraw/zinc/05/12/24/563051224.db2.gz	FUXZKJRJNUZTKJ-PXDATVDWSA-N	-1	1	434.492	3.703	1	0		IHAFMM
O=C([O-])C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2ncoc2c1	ZINC000028568668	563058523	/nfs/dbraw/zinc/05/85/23/563058523.db2.gz	KZYWKHUJTXLNJM-QGZVFWFLSA-N	-1	1	447.495	3.940	1	0		IHAFMM
C[NH+](C)C/C=C/c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000035879472	563090288	/nfs/dbraw/zinc/09/02/88/563090288.db2.gz	CTZLIARLNXSXGL-FNORWQNLSA-N	-1	1	432.517	3.778	1	0		IHAFMM
O=C(CSc1nccc(=O)[n-]1)N1N=C2C(=Cc3ccco3)CCC[C@H]2[C@@H]1c1ccco1	ZINC000013637442	562998250	/nfs/dbraw/zinc/99/82/50/562998250.db2.gz	ZWUWBGUOTKETDL-MSXZJTTLSA-N	-1	1	436.493	3.871	3	0		IHAFMM
C[NH+](C)C[C@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964976	563016337	/nfs/dbraw/zinc/01/63/37/563016337.db2.gz	RQPHHSMTRPXWJL-CRAIPNDOSA-N	-1	1	446.544	3.869	1	0		IHAFMM
C[NH+](C)C[C@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964969	563016340	/nfs/dbraw/zinc/01/63/40/563016340.db2.gz	RQPHHSMTRPXWJL-QAPCUYQASA-N	-1	1	446.544	3.869	1	0		IHAFMM
CCCCCOc1ccc(C=CC(=O)Nc2cccc3c2O[C@H](c2nn[n-]n2)CO3)cc1	ZINC000028010693	563049665	/nfs/dbraw/zinc/04/96/65/563049665.db2.gz	VCPKGFRGDDVSMP-YPNIWSFNSA-N	-1	1	435.484	3.933	1	0		IHAFMM
O=C([O-])C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCCC5)cc4s3)c(F)c2)C1	ZINC000073161213	563169508	/nfs/dbraw/zinc/16/95/08/563169508.db2.gz	WCVVWIDYYFKAJS-UHFFFAOYSA-N	-1	1	439.512	3.855	1	0		IHAFMM
CC(C)=CCc1c([O-])cc2c(c1O)C(=O)[C@]1(O)c3cc4c(cc3O[C@@H]1O2)OC(C)(C)C=C4	ZINC000033832154	291365294	/nfs/dbraw/zinc/36/52/94/291365294.db2.gz	JVOZCNOWAZWOLM-ILBGXUMGSA-N	-1	1	436.460	3.972	1	0	biogenic,in-vitro	IHAFMM
CN(Cc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000028572051	563059477	/nfs/dbraw/zinc/05/94/77/563059477.db2.gz	JPGPVRMKNXNWKM-UHFFFAOYSA-N	-1	1	427.366	3.820	1	0		IHAFMM
CC[C@@H](OC(C)=O)c1cc(=O)oc2c3c(c(C(=O)[C@@H](C)CC)c([O-])c12)O[C@@H](C(C)(C)O)C3	ZINC000038562270	563098078	/nfs/dbraw/zinc/09/80/78/563098078.db2.gz	VBJCSMQHVABALD-IUIKQTSFSA-N	-1	1	446.496	3.816	1	0		IHAFMM
C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)[O-])ccc2c1)n1ccnc1)N1CCOCC1	ZINC000040565020	563104798	/nfs/dbraw/zinc/10/47/98/563104798.db2.gz	ATTJXWVUQQZVGI-JPYJTQIMSA-N	-1	1	437.540	3.836	1	0		IHAFMM
CC1(C)CN=C2C(=O)c3cc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc3N2C1	ZINC000045353116	563132418	/nfs/dbraw/zinc/13/24/18/563132418.db2.gz	AUSHWDXCHHJSSL-UHFFFAOYSA-N	-1	1	437.443	3.947	1	0		IHAFMM
COc1cc(C2(C(=O)NCc3ccc(C(C)(C)C)cc3)CC2)ccc1[N-]S(C)(=O)=O	ZINC000073222568	563170684	/nfs/dbraw/zinc/17/06/84/563170684.db2.gz	AWHCEFVPPXQCPV-UHFFFAOYSA-N	-1	1	430.570	3.712	1	0		IHAFMM
O=C(CSc1nccc(=O)[n-]1)N1N=C2C(=Cc3ccco3)CCC[C@H]2[C@H]1c1ccco1	ZINC000013637449	562998255	/nfs/dbraw/zinc/99/82/55/562998255.db2.gz	ZWUWBGUOTKETDL-AICYPDIBSA-N	-1	1	436.493	3.871	3	0		IHAFMM
COc1ccc(Br)c([O-])c1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1	ZINC000013820604	563009902	/nfs/dbraw/zinc/00/99/02/563009902.db2.gz	PQAIFVHATFSBMU-OAHLLOKOSA-N	-1	1	437.309	3.697	1	0		IHAFMM
O=C([O-])C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCC2	ZINC000028568850	563058643	/nfs/dbraw/zinc/05/86/43/563058643.db2.gz	UEIWSFUOMHYAMK-LJQANCHMSA-N	-1	1	448.523	3.734	1	0		IHAFMM
C[C@H](N[C@@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@](=O)([O-])O)c1cccc2ccccc21	ZINC000013440526	562986186	/nfs/dbraw/zinc/98/61/86/562986186.db2.gz	LYKXCFZRVHBZJS-LAJNKCICSA-N	-1	1	425.381	3.721	1	0		IHAFMM
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4)c3O)[nH]c2c1	ZINC000014955437	563015842	/nfs/dbraw/zinc/01/58/42/563015842.db2.gz	FXLFNEVHWHPROF-MRXNPFEDSA-N	-1	1	444.447	3.529	1	0		IHAFMM
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc2c1OC(C)(C)[C@H](O)[C@@H]2O	ZINC000040862024	563108180	/nfs/dbraw/zinc/10/81/80/563108180.db2.gz	KYGXFLIBLYFPAZ-BPUDTRNYSA-N	-1	1	440.492	3.878	1	0		IHAFMM
COC(=O)c1ccccc1OC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000066066372	563157104	/nfs/dbraw/zinc/15/71/04/563157104.db2.gz	BYOPXAGHZOMJSR-UHFFFAOYSA-N	-1	1	446.411	3.937	1	0		IHAFMM
COC(=O)c1ccccc1OC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1	ZINC000066066372	563157105	/nfs/dbraw/zinc/15/71/05/563157105.db2.gz	BYOPXAGHZOMJSR-UHFFFAOYSA-N	-1	1	446.411	3.937	1	0		IHAFMM
C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3cc2O[C@@]1(C)C1CCCC1	ZINC000085595321	291364031	/nfs/dbraw/zinc/36/40/31/291364031.db2.gz	PDXFAIVRSNOIAK-NDWVNKNYSA-N	-1	1	428.481	3.753	1	0	biogenic,in-vitro	IHAFMM
C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3cc2O[C@@]1(C)C1CCCC1	ZINC000085595321	291364034	/nfs/dbraw/zinc/36/40/34/291364034.db2.gz	PDXFAIVRSNOIAK-NDWVNKNYSA-N	-1	1	428.481	3.753	1	0	biogenic,in-vitro	IHAFMM
O=C1[N-]C(=O)C(=C2CN(Cc3ccc4ccccc4c3)S(=O)(=O)c3ccccc32)S1	ZINC000003630179	562937001	/nfs/dbraw/zinc/93/70/01/562937001.db2.gz	PIIHARRTDRXXQT-ZZEZOPTASA-N	-1	1	436.514	3.738	1	0		IHAFMM
Cc1cc(COc2ccc(/C=C/CC3(C)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1	ZINC000028892516	563068451	/nfs/dbraw/zinc/06/84/51/563068451.db2.gz	MHMXZGVHZDNEMP-AATRIKPKSA-N	-1	1	429.476	3.898	1	0		IHAFMM
CCCCOC(=O)COc1cc([O-])c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1	ZINC000096273320	563196849	/nfs/dbraw/zinc/19/68/49/563196849.db2.gz	VSIHRKWPBRVRCW-UHFFFAOYSA-N	-1	1	426.421	3.659	1	0		IHAFMM
O=C([O-])C[C@@H](c1ccc2c(c1)OCC2)N1CC[C@H](CCCc2ccc3c(n2)NCCC3)C1=O	ZINC000013587681	562995772	/nfs/dbraw/zinc/99/57/72/562995772.db2.gz	YWGKJZDMSJRNNY-UGKGYDQZSA-N	-1	1	449.551	3.762	1	0		IHAFMM
O=C(CSc1nccc(=O)[n-]1)N1N=C2C(=Cc3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000013637452	562998309	/nfs/dbraw/zinc/99/83/09/562998309.db2.gz	ZWUWBGUOTKETDL-HMQXFQBYSA-N	-1	1	436.493	3.871	3	0		IHAFMM
O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(C[C@@H]2SC(=O)[N-]C2=O)ccc1F	ZINC000003929314	562939443	/nfs/dbraw/zinc/93/94/43/562939443.db2.gz	CUEROBNOJYMPEH-HNNXBMFYSA-N	-1	1	426.391	3.669	1	0		IHAFMM
CCCCCOc1ccccc1C=CC(=O)Nc1cccc2c1O[C@H](c1nn[n-]n1)CO2	ZINC000028001391	563049286	/nfs/dbraw/zinc/04/92/86/563049286.db2.gz	WVDLRLOBRVVPMZ-SJFMBGHLSA-N	-1	1	435.484	3.933	1	0		IHAFMM
CN(CC1OCCO1)[C@@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@@H]1c1ccccc1	ZINC000028118936	563051038	/nfs/dbraw/zinc/05/10/38/563051038.db2.gz	GVJLGLPJXYJFIH-ATIYNZHBSA-N	-1	1	446.503	3.800	1	0		IHAFMM
O=C([O-])[C@H](CCCCCCCc1ccc2c(n1)NCCC2)NS(=O)(=O)c1ccccc1	ZINC000028371270	563053878	/nfs/dbraw/zinc/05/38/78/563053878.db2.gz	BZNJQSLXUULJOU-NRFANRHFSA-N	-1	1	445.585	3.755	1	0		IHAFMM
CN(CC1OCCO1)[C@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@H]1c1ccccc1	ZINC000040533121	563104515	/nfs/dbraw/zinc/10/45/15/563104515.db2.gz	GVJLGLPJXYJFIH-NVQXNPDNSA-N	-1	1	446.503	3.800	1	0		IHAFMM
O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc([N-]S(=O)(=O)CCC(F)(F)F)c1F	ZINC000072181313	563167163	/nfs/dbraw/zinc/16/71/63/563167163.db2.gz	YDXPWQSZVREYAP-UHFFFAOYSA-N	-1	1	448.373	3.788	1	0		IHAFMM
COc1cc([C@H]2Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3O[C@@H]2CO)ccc1O	ZINC000005833587	562944908	/nfs/dbraw/zinc/94/49/08/562944908.db2.gz	FECLWLKPCOCFKF-FYYLOGMGSA-N	-1	1	448.427	3.753	1	0		IHAFMM
CS(=O)(=O)[N-]c1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O	ZINC000013587132	562995540	/nfs/dbraw/zinc/99/55/40/562995540.db2.gz	ZCSCQIUUPUXRBO-UHFFFAOYSA-N	-1	1	432.807	3.944	1	0		IHAFMM
CCCN(C)C(=O)CN1C[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000013760917	563004975	/nfs/dbraw/zinc/00/49/75/563004975.db2.gz	WXIFZSHSUIUWLJ-YSZBQJHXSA-N	-1	1	446.494	3.683	1	0		IHAFMM
O=C1[N-]C(=O)[C@@H](Cc2ccc(OCc3nc4cccnc4n3-c3ccccc3)cc2)S1	ZINC000026835055	563037380	/nfs/dbraw/zinc/03/73/80/563037380.db2.gz	LKUVVODKVVKSRI-LJQANCHMSA-N	-1	1	430.489	3.894	1	0		IHAFMM
CCOc1cc(/C=C2\NC(=S)[N-]C2=O)ccc1OCCCOc1cc(C)cc(C)c1	ZINC000045356003	563132615	/nfs/dbraw/zinc/13/26/15/563132615.db2.gz	PKYCWXNAXYVVNH-UYRXBGFRSA-N	-1	1	426.538	3.895	1	0		IHAFMM
O=c1ccc(-c2nc3ccc(S(=O)(=O)CC(F)(F)F)cc3[n-]2)cn1-c1ccccc1	ZINC000084672169	563175478	/nfs/dbraw/zinc/17/54/78/563175478.db2.gz	ASOXHYLKWBYUGP-UHFFFAOYSA-N	-1	1	433.411	3.717	1	0		IHAFMM
O=c1ccc(-c2nc3cc(S(=O)(=O)CC(F)(F)F)ccc3[n-]2)cn1-c1ccccc1	ZINC000084672169	563175479	/nfs/dbraw/zinc/17/54/79/563175479.db2.gz	ASOXHYLKWBYUGP-UHFFFAOYSA-N	-1	1	433.411	3.717	1	0		IHAFMM
O=C(Nc1cccc2c1O[C@@H](c1nn[n-]n1)CO2)c1ccc(OCCc2ccccc2)cc1	ZINC000028008021	563049569	/nfs/dbraw/zinc/04/95/69/563049569.db2.gz	KEBUCTJWAGUREK-OAQYLSRUSA-N	-1	1	443.463	3.586	1	0		IHAFMM
CN(CC1OCCO1)[C@@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2NC12CCCCC2	ZINC000028118792	563051029	/nfs/dbraw/zinc/05/10/29/563051029.db2.gz	PEWABYQTYMMFLB-XMMPIXPASA-N	-1	1	438.524	3.761	1	0		IHAFMM
O=C([O-])C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2ncoc2c1	ZINC000028568669	563058527	/nfs/dbraw/zinc/05/85/27/563058527.db2.gz	KZYWKHUJTXLNJM-KRWDZBQOSA-N	-1	1	447.495	3.940	1	0		IHAFMM
CCOC(=O)CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1	ZINC000039791375	563099257	/nfs/dbraw/zinc/09/92/57/563099257.db2.gz	DHMMBOPJUQCCRQ-UHFFFAOYSA-N	-1	1	433.511	3.501	3	0		IHAFMM
CC[NH+](CC)CCNc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964423	563016297	/nfs/dbraw/zinc/01/62/97/563016297.db2.gz	RDDOXORJOJSXJL-UHFFFAOYSA-N	-1	1	445.585	3.818	1	0		IHAFMM
CCn1cnc2nc([N-]c3nc(C)cs3)nc(NCc3ccc(OC)c(OC)c3)c21	ZINC000026745468	563036331	/nfs/dbraw/zinc/03/63/31/563036331.db2.gz	OWABVZSQEMGFJD-UHFFFAOYSA-N	-1	1	425.518	3.984	1	0		IHAFMM
COc1c2ccoc2c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c(O)c1C(=O)[O-]	ZINC000064553363	563155857	/nfs/dbraw/zinc/15/58/57/563155857.db2.gz	DTNLKCKCWGLGOH-UHFFFAOYSA-N	-1	1	432.237	3.953	1	0		IHAFMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CCNc2ccccc2)C3=O)cc1	ZINC000095602179	563193152	/nfs/dbraw/zinc/19/31/52/563193152.db2.gz	ARTYGYXQDVWATC-UHFFFAOYSA-N	-1	1	435.505	3.504	1	0		IHAFMM
COC(=O)C1=C([O-])c2ccccc2O[C@@](C(=O)OC)(c2ccccc2)[C@@H]1c1ccccc1	ZINC000008035769	562949071	/nfs/dbraw/zinc/94/90/71/562949071.db2.gz	NBCHFTXDNXUEKN-DRLORSAXSA-N	-1	1	430.456	3.903	1	0		IHAFMM
NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)nc2c1	ZINC000013612133	562997990	/nfs/dbraw/zinc/99/79/90/562997990.db2.gz	KHJVRUYUSFNQOV-UHFFFAOYSA-N	-1	1	426.885	3.783	1	0		IHAFMM
O=C(CSc1nccc(=O)[n-]1)N1N=C2C(=Cc3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000013637445	562998301	/nfs/dbraw/zinc/99/83/01/562998301.db2.gz	ZWUWBGUOTKETDL-FACSGPCESA-N	-1	1	436.493	3.871	3	0		IHAFMM
O=C([O-])[C@@H](CNC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1	ZINC000013860628	563012564	/nfs/dbraw/zinc/01/25/64/563012564.db2.gz	FIEWTBHPTPMJPY-NRFANRHFSA-N	-1	1	432.524	3.685	1	0		IHAFMM
Cc1c2c([O-])cc(O)cc2oc(=O)c1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1	ZINC000045387192	563133934	/nfs/dbraw/zinc/13/39/34/563133934.db2.gz	KKICCNGMCBHQEY-UHFFFAOYSA-N	-1	1	437.496	3.990	1	0		IHAFMM
COCCOc1cc2ncnc(Nc3cc([O-])c(Cl)cc3F)c2cc1OCCOC	ZINC000028704506	563061826	/nfs/dbraw/zinc/06/18/26/563061826.db2.gz	OAQPUVWKEKSUAZ-UHFFFAOYSA-N	-1	1	437.855	3.922	1	0		IHAFMM
CN1CCN(C2=Nc3cc(Cl)ccc3N([N-]C(=O)C(F)(F)F)c3ccccc32)CC1	ZINC000036089434	563090858	/nfs/dbraw/zinc/09/08/58/563090858.db2.gz	UISZGTKWUGURNK-UHFFFAOYSA-N	-1	1	437.853	3.711	1	0		IHAFMM
COC(=O)Nc1coc(C(=O)[N-]c2coc(C(=O)NCCc3c[nH]c4ccccc34)c2)c1	ZINC000043017405	563116939	/nfs/dbraw/zinc/11/69/39/563116939.db2.gz	OHKHJUCMNWFOEB-UHFFFAOYSA-N	-1	1	436.424	3.757	1	0		IHAFMM
CCCc1c(CC(N)=O)c2cc(OCCC[P@](=O)([O-])O)ccc2n1Cc1ccccc1	ZINC000013445966	562986912	/nfs/dbraw/zinc/98/69/12/562986912.db2.gz	WSYGAPVOCJFWPF-UHFFFAOYSA-N	-1	1	444.468	3.617	1	0		IHAFMM
CCCCCOc1ccccc1C=CC(=O)Nc1cccc2c1O[C@@H](c1nn[n-]n1)CO2	ZINC000028001396	563049211	/nfs/dbraw/zinc/04/92/11/563049211.db2.gz	WVDLRLOBRVVPMZ-DRUFCSCSSA-N	-1	1	435.484	3.933	1	0		IHAFMM
CCCCCOc1ccc(C=CC(=O)Nc2cccc3c2O[C@@H](c2nn[n-]n2)CO3)cc1	ZINC000028010697	563049699	/nfs/dbraw/zinc/04/96/99/563049699.db2.gz	VCPKGFRGDDVSMP-XEDBTPMOSA-N	-1	1	435.484	3.933	1	0		IHAFMM
CN(CC1OCCO1)[C@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2NC12CCCCC2	ZINC000028118799	563051013	/nfs/dbraw/zinc/05/10/13/563051013.db2.gz	PEWABYQTYMMFLB-DEOSSOPVSA-N	-1	1	438.524	3.761	1	0		IHAFMM
O=C1[N-]C(=O)C(=Cc2ccc(OC[C@H]3COc4cc(Br)ccc4O3)cc2)S1	ZINC000028714332	563063178	/nfs/dbraw/zinc/06/31/78/563063178.db2.gz	BAQRTFHZKSTUQR-CGWJPAAUSA-N	-1	1	448.294	3.992	1	0		IHAFMM
COc1ccc(NC(=O)[N-]c2nc3ccccc3n3c(=O)c(-c4ccccc4)nn23)cc1	ZINC000028862600	563066864	/nfs/dbraw/zinc/06/68/64/563066864.db2.gz	VNUYVLKBYPHRDX-UHFFFAOYSA-N	-1	1	426.436	3.662	1	0		IHAFMM
Nc1nc(=S)[nH]c2c1[C@H](c1ccc(N3CCCCC3)cc1)c1c(=O)[n-]c(=S)[nH]c1N2	ZINC000040411580	563101751	/nfs/dbraw/zinc/10/17/51/563101751.db2.gz	JBJVQMPGIMNLQM-LBPRGKRZSA-N	-1	1	439.570	3.695	1	0		IHAFMM
O=C([O-])C[C@@H](c1ccc2c(c1)OCC2)N1CC[C@@H](CCCc2ccc3c(n2)NCCC3)C1=O	ZINC000003930883	562939415	/nfs/dbraw/zinc/93/94/15/562939415.db2.gz	YWGKJZDMSJRNNY-KNQAVFIVSA-N	-1	1	449.551	3.762	1	0		IHAFMM
CCc1c(CC(N)=O)c2cc(OCCC[P@](=O)([O-])O)c(C)cc2n1Cc1ccccc1	ZINC000013446190	562986903	/nfs/dbraw/zinc/98/69/03/562986903.db2.gz	RTOHXYAECMTFOB-UHFFFAOYSA-N	-1	1	444.468	3.535	1	0		IHAFMM
CCCCCOc1cccc(C=CC(=O)Nc2cccc3c2O[C@@H](c2nn[n-]n2)CO3)c1	ZINC000028005835	563049465	/nfs/dbraw/zinc/04/94/65/563049465.db2.gz	FLVULROWBMBEMN-YVNCXZRQSA-N	-1	1	435.484	3.933	1	0		IHAFMM
CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)[P@](=O)([O-])O)cc2)cc1	ZINC000028642317	563060510	/nfs/dbraw/zinc/06/05/10/563060510.db2.gz	VKFNDAOTTJONML-LJQANCHMSA-N	-1	1	427.459	3.579	1	0		IHAFMM
C[NH+](C)CCCCNc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964603	563016282	/nfs/dbraw/zinc/01/62/82/563016282.db2.gz	LOTDJSIGSZFYQP-UHFFFAOYSA-N	-1	1	445.585	3.818	1	0		IHAFMM
[NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026252377	563030061	/nfs/dbraw/zinc/03/00/61/563030061.db2.gz	NXVNNABMMKCSEO-OALUTQOASA-N	-1	1	446.525	3.512	1	0		IHAFMM
CN(CC1OCCO1)[C@@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@H]1c1ccccc1	ZINC000040533123	563104507	/nfs/dbraw/zinc/10/45/07/563104507.db2.gz	GVJLGLPJXYJFIH-BKMJKUGQSA-N	-1	1	446.503	3.800	1	0		IHAFMM
O=C(NCc1ccc(F)cc1)c1c([O-])c(=O)n(C/C=C/c2ccccc2)nc1C(F)(F)F	ZINC000084711791	563177496	/nfs/dbraw/zinc/17/74/96/563177496.db2.gz	RZXHGXICDNERFE-QPJJXVBHSA-N	-1	1	447.388	3.750	1	0		IHAFMM
Cc1ccc(C(=O)Nc2ccc(C[P@](=O)([O-])O)cc2)cc1NC(=O)c1cccc(N)c1	ZINC000001649359	562923768	/nfs/dbraw/zinc/92/37/68/562923768.db2.gz	WDBCDDOIZBYXJE-UHFFFAOYSA-N	-1	1	439.408	3.760	1	0		IHAFMM
CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc([C@H](CC)OC(C)=O)c3c1[O-])C[C@@H](C(C)(C)O)O2	ZINC000014616147	563014587	/nfs/dbraw/zinc/01/45/87/563014587.db2.gz	VBJCSMQHVABALD-UVBJJODRSA-N	-1	1	446.496	3.816	1	0		IHAFMM
CC[C@@H](OC(C)=O)c1cc(=O)oc2c3c(c(C(=O)[C@@H](C)CC)c([O-])c12)O[C@H](C(C)(C)O)C3	ZINC000014616145	563014592	/nfs/dbraw/zinc/01/45/92/563014592.db2.gz	VBJCSMQHVABALD-XZJROXQQSA-N	-1	1	446.496	3.816	1	0		IHAFMM
O=C1[N-]C(=O)[C@H](Cc2ccc(OCc3nc4cccnc4n3-c3ccccc3)cc2)S1	ZINC000026835056	563037321	/nfs/dbraw/zinc/03/73/21/563037321.db2.gz	LKUVVODKVVKSRI-IBGZPJMESA-N	-1	1	430.489	3.894	1	0		IHAFMM
COc1cccc(CCN2C(=O)COc3ccc(C=C4SC(=S)[N-]C4=O)cc32)c1	ZINC000028883468	563067961	/nfs/dbraw/zinc/06/79/61/563067961.db2.gz	UTIVWGUNTRBKGY-WQRHYEAKSA-N	-1	1	426.519	3.992	1	0		IHAFMM
COc1ccc2cc([C@H](C)C(=O)OCc3cn(CC(=O)c4ccc([O-])cc4)nn3)ccc2c1	ZINC000061931015	563150785	/nfs/dbraw/zinc/15/07/85/563150785.db2.gz	RBBCDZIRIDAAOM-INIZCTEOSA-N	-1	1	445.475	3.875	3	0		IHAFMM
O=C(COc1ccc(C=C2SC(=O)[N-]C2=O)cc1)Nc1ccc(Br)cc1	ZINC000071329850	563162317	/nfs/dbraw/zinc/16/23/17/563162317.db2.gz	OCKFBLVRHGIDID-DHDCSXOGSA-N	-1	1	433.283	3.791	1	0		IHAFMM
CCc1nnc(NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1	ZINC000073222273	563170718	/nfs/dbraw/zinc/17/07/18/563170718.db2.gz	LYCLXIQEHQSLKK-UHFFFAOYSA-N	-1	1	434.518	3.612	1	0		IHAFMM
Cn1nnnc1Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000095560957	563182327	/nfs/dbraw/zinc/18/23/27/563182327.db2.gz	DLTXTHJGLDWETN-UHFFFAOYSA-N	-1	1	432.720	3.562	1	0		IHAFMM
Cc1nnnn1Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000095563825	563183010	/nfs/dbraw/zinc/18/30/10/563183010.db2.gz	JDTIJKSABSGJEM-UHFFFAOYSA-N	-1	1	432.720	3.791	1	0		IHAFMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000095567841	563183851	/nfs/dbraw/zinc/18/38/51/563183851.db2.gz	KUHVDRLMODMHFI-UHFFFAOYSA-N	-1	1	430.551	3.583	3	0		IHAFMM
COc1cc(C(C)(C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O	ZINC000073222564	563170714	/nfs/dbraw/zinc/17/07/14/563170714.db2.gz	XJQFLVIDXNPJKS-UHFFFAOYSA-N	-1	1	432.586	3.958	1	0		IHAFMM
CC(=O)c1ccc(OCCCCOc2ccc(-c3nn[nH]n3)cc2)c(Br)c1[O-]	ZINC000096305492	563197369	/nfs/dbraw/zinc/19/73/69/563197369.db2.gz	WQSWSCFDPJRFHF-UHFFFAOYSA-N	-1	1	447.289	3.775	1	0		IHAFMM
Cc1ccc(NC(=O)CSCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(C)c1	ZINC000010022388	562978324	/nfs/dbraw/zinc/97/83/24/562978324.db2.gz	YRGHNUCBFAEBEH-UHFFFAOYSA-N	-1	1	427.478	3.531	3	0		IHAFMM
COC(CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@@H]1c1ccccc1)OC	ZINC000028124980	563051199	/nfs/dbraw/zinc/05/11/99/563051199.db2.gz	FUXZKJRJNUZTKJ-BWKNWUBXSA-N	-1	1	434.492	3.703	1	0		IHAFMM
O=S(=O)(c1ccccc1)N1CCc2cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc21	ZINC000028572478	563059558	/nfs/dbraw/zinc/05/95/58/563059558.db2.gz	KRMLHHOPYDDSGR-UHFFFAOYSA-N	-1	1	425.350	3.750	1	0		IHAFMM
CCCCc1ncc(/C=C2/C(=O)NC(=O)N2CCC(C)C)n1Cc1ccc(C(=O)[O-])cc1	ZINC000036222418	563092221	/nfs/dbraw/zinc/09/22/21/563092221.db2.gz	XDEYLPDDRSQZQP-MOSHPQCFSA-N	-1	1	438.528	3.911	1	0		IHAFMM
COC(=O)[N-]C(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1	ZINC000072175359	563165394	/nfs/dbraw/zinc/16/53/94/563165394.db2.gz	HRAZLOGCIRTTGT-UHFFFAOYSA-N	-1	1	443.463	3.817	1	0		IHAFMM
CCCc1c(COc2ccc(C(=O)CCCc3nn[n-]n3)c(O)c2)ccc(C(C)=O)c1O	ZINC000013824176	563010414	/nfs/dbraw/zinc/01/04/14/563010414.db2.gz	FAOQGOGAVCYLDQ-UHFFFAOYSA-N	-1	1	438.484	3.551	1	0		IHAFMM
O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NCC[C@H]2CCC[NH2+]2)ccc2c1CCCC2	ZINC000014964533	563016272	/nfs/dbraw/zinc/01/62/72/563016272.db2.gz	BHDJVXNLOPBSSH-QGZVFWFLSA-N	-1	1	443.569	3.618	1	0		IHAFMM
C[NH+](C)C[C@@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964965	563016420	/nfs/dbraw/zinc/01/64/20/563016420.db2.gz	RQPHHSMTRPXWJL-YJBOKZPZSA-N	-1	1	446.544	3.869	1	0		IHAFMM
CC(=O)SCC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000035920212	563090388	/nfs/dbraw/zinc/09/03/88/563090388.db2.gz	BKMWKPSIAMDBIH-UHFFFAOYSA-N	-1	1	433.429	3.848	1	0		IHAFMM
CC(=O)SCC(=O)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1	ZINC000038254004	563097230	/nfs/dbraw/zinc/09/72/30/563097230.db2.gz	QWWONSXJFKCKMF-UHFFFAOYSA-N	-1	1	433.429	3.848	1	0		IHAFMM
CC(=O)SCC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1	ZINC000040935426	563112645	/nfs/dbraw/zinc/11/26/45/563112645.db2.gz	KHTUUVWGUSIDDN-UHFFFAOYSA-N	-1	1	433.429	3.848	1	0		IHAFMM
NC(=O)c1ccc(OCCCCCn2cc(C=C3NC(=S)[N-]C3=O)c3ccccc32)cc1	ZINC000043021446	563117205	/nfs/dbraw/zinc/11/72/05/563117205.db2.gz	SLHAMWUMQSSMRZ-ZHZULCJRSA-N	-1	1	448.548	3.746	1	0		IHAFMM
COc1cccc(C(=O)N(CCN2CCC(OCC(=O)[O-])CC2)c2ccc(Cl)cc2)c1	ZINC000043152960	563119154	/nfs/dbraw/zinc/11/91/54/563119154.db2.gz	OHSVQJHDWGCWSO-UHFFFAOYSA-N	-1	1	446.931	3.561	1	0		IHAFMM
COCc1cc(/C=C2\NC(=S)[N-]C2=O)ccc1OCCCOc1cc(C)cc(C)c1	ZINC000045357833	563132809	/nfs/dbraw/zinc/13/28/09/563132809.db2.gz	KLKHAUGRSKRYTL-MOSHPQCFSA-N	-1	1	426.538	3.643	1	0		IHAFMM
O=C1[N-]C(=O)C(=Cc2ccc(OCCSc3nnc(-c4cccnc4)o3)cc2)S1	ZINC000084713558	563177771	/nfs/dbraw/zinc/17/77/71/563177771.db2.gz	IHWBZUZOSOJKCW-GDNBJRDFSA-N	-1	1	426.479	3.627	1	0		IHAFMM
O=c1[nH]c2cccc([C@H](NC(c3ccccc3)c3ccccc3)[P@@](=O)([O-])O)c2[nH]c1=O	ZINC000013440511	562986241	/nfs/dbraw/zinc/98/62/41/562986241.db2.gz	JWROJMWCABTNDS-JOCHJYFZSA-N	-1	1	437.392	3.597	1	0		IHAFMM
Cc1ncc([C@H](CC(=O)[O-])Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)s1	ZINC000028568671	563058547	/nfs/dbraw/zinc/05/85/47/563058547.db2.gz	ZEEBGVAVQWCFLT-HNNXBMFYSA-N	-1	1	427.530	3.564	1	0		IHAFMM
O=C([O-])C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCC2	ZINC000028568851	563058647	/nfs/dbraw/zinc/05/86/47/563058647.db2.gz	UEIWSFUOMHYAMK-IBGZPJMESA-N	-1	1	448.523	3.734	1	0		IHAFMM
O=C1[N-]C(=O)C(=Cc2ccc(OC[C@@H]3COc4cc(Br)ccc4O3)cc2)S1	ZINC000028714333	563063324	/nfs/dbraw/zinc/06/33/24/563063324.db2.gz	BAQRTFHZKSTUQR-IGYCIJMVSA-N	-1	1	448.294	3.992	1	0		IHAFMM
COc1ccc2c(oc(-c3cnn(C)c3)c2C(=O)c2cc(OC)c(OC)c(OC)c2)c1[O-]	ZINC000035819667	563089969	/nfs/dbraw/zinc/08/99/69/563089969.db2.gz	IARVWTIWWVZVBS-UHFFFAOYSA-N	-1	1	438.436	3.804	1	0		IHAFMM
CC[C@H](C)C(=O)c1c([O-])c2c(-c3ccccc3)cc(=O)oc2c(C[C@@H](O)C(C)(C)O)c1O	ZINC000014585950	291367446	/nfs/dbraw/zinc/36/74/46/291367446.db2.gz	DFBLQWGFTJWAOT-SUMWQHHRSA-N	-1	1	440.492	3.774	1	0	biogenic,in-vitro	IHAFMM
O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NCC[NH+]2CCCC2)ccc2c1CCCC2	ZINC000014964431	563016292	/nfs/dbraw/zinc/01/62/92/563016292.db2.gz	DWHBDJNJFOKNCK-UHFFFAOYSA-N	-1	1	443.569	3.572	1	0		IHAFMM
O=C(Nc1cccc2c1O[C@H](c1nn[n-]n1)CO2)c1ccc(OCCc2ccccc2)cc1	ZINC000028008017	563049580	/nfs/dbraw/zinc/04/95/80/563049580.db2.gz	KEBUCTJWAGUREK-NRFANRHFSA-N	-1	1	443.463	3.586	1	0		IHAFMM
CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc([C@H](CC)OC(C)=O)c3c1[O-])C[C@H](C(C)(C)O)O2	ZINC000038733478	563098229	/nfs/dbraw/zinc/09/82/29/563098229.db2.gz	VBJCSMQHVABALD-KNXALSJPSA-N	-1	1	446.496	3.816	1	0		IHAFMM
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc2c1OC(C)(C)[C@@H](O)[C@H]2O	ZINC000040862030	563108154	/nfs/dbraw/zinc/10/81/54/563108154.db2.gz	KYGXFLIBLYFPAZ-APTRMMRNSA-N	-1	1	440.492	3.878	1	0		IHAFMM
COC(=O)/C=C/c1oc2c(ccc(OC)c2[O-])c1C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000072181096	563167027	/nfs/dbraw/zinc/16/70/27/563167027.db2.gz	JCGSYRJDXGAGNI-CMDGGOBGSA-N	-1	1	442.420	3.590	1	0		IHAFMM
Cc1cc2c(cc1C)N(CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)[C@@H](C)C(=O)N2	ZINC000028369855	563053772	/nfs/dbraw/zinc/05/37/72/563053772.db2.gz	VHMHUWVZHMSMHC-SLDJAQPHSA-N	-1	1	437.521	3.853	1	0		IHAFMM
O=S(=O)(c1ccccc1)N1CCOc2cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc21	ZINC000028572480	563059572	/nfs/dbraw/zinc/05/95/72/563059572.db2.gz	RSBNGIIBGHODNQ-UHFFFAOYSA-N	-1	1	441.349	3.587	1	0		IHAFMM
Nc1nc(=S)[nH]c2c1[C@@H](c1ccc(N3CCCCC3)cc1)c1c(=O)[n-]c(=S)[nH]c1N2	ZINC000040411577	563101757	/nfs/dbraw/zinc/10/17/57/563101757.db2.gz	JBJVQMPGIMNLQM-GFCCVEGCSA-N	-1	1	439.570	3.695	1	0		IHAFMM
CCNC(=O)c1[nH]nc(-c2cc(Br)c([O-])cc2O)c1-c1ccc(OC)cc1	ZINC000004617892	562943413	/nfs/dbraw/zinc/94/34/13/562943413.db2.gz	DBXDUCOPSPKNON-UHFFFAOYSA-N	-1	1	432.274	3.676	1	0		IHAFMM
CCc1c(CC(N)=O)c2cc(SCCC[P@](=O)([O-])O)ccc2n1Cc1ccccc1	ZINC000013605129	562997145	/nfs/dbraw/zinc/99/71/45/562997145.db2.gz	QPCLHFSBZOESTI-UHFFFAOYSA-N	-1	1	446.509	3.940	1	0		IHAFMM
C[NH+](C)C[C@@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964972	563016365	/nfs/dbraw/zinc/01/63/65/563016365.db2.gz	RQPHHSMTRPXWJL-MAUKXSAKSA-N	-1	1	446.544	3.869	1	0		IHAFMM
Cc1cc2c(cc1C)N(CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)[C@H](C)C(=O)N2	ZINC000028369870	563053780	/nfs/dbraw/zinc/05/37/80/563053780.db2.gz	VHMHUWVZHMSMHC-RVZJCZPVSA-N	-1	1	437.521	3.853	1	0		IHAFMM
Cc1ccnc(NCCCCc2noc(C[C@@H](CC(=O)[O-])c3ccc4c(c3)OCO4)n2)c1	ZINC000028568854	563058601	/nfs/dbraw/zinc/05/86/01/563058601.db2.gz	YLEXAKYOIPPMHL-KRWDZBQOSA-N	-1	1	438.484	3.738	1	0		IHAFMM
C[C@H](N[C@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@](=O)([O-])O)c1cccc2ccccc21	ZINC000013440527	562986203	/nfs/dbraw/zinc/98/62/03/562986203.db2.gz	LYKXCFZRVHBZJS-QKVFXAPYSA-N	-1	1	425.381	3.721	1	0		IHAFMM
CCc1ccc([N-]S(=O)(=O)c2ccccc2NCCCC[NH+](C)C)c(C(=O)[O-])c1OC	ZINC000014965115	563016373	/nfs/dbraw/zinc/01/63/73/563016373.db2.gz	CPMUKIGPVJDDAC-UHFFFAOYSA-N	-1	1	449.573	3.510	1	0		IHAFMM
O=C1[N-]C(=O)C(=Cc2ccc(OCCSc3nnc(-c4ccncc4)o3)cc2)S1	ZINC000084713560	563177764	/nfs/dbraw/zinc/17/77/64/563177764.db2.gz	CDQITBARTLUYTF-PTNGSMBKSA-N	-1	1	426.479	3.627	1	0		IHAFMM
O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(C[C@H]2SC(=O)[N-]C2=O)ccc1F	ZINC000001486390	562922230	/nfs/dbraw/zinc/92/22/30/562922230.db2.gz	CUEROBNOJYMPEH-OAHLLOKOSA-N	-1	1	426.391	3.669	1	0		IHAFMM
COC(=O)c1ccc(OCCCc2c([O-])nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)cc1	ZINC000028568827	563058627	/nfs/dbraw/zinc/05/86/27/563058627.db2.gz	NWXFXNYABHIZIU-UHFFFAOYSA-N	-1	1	435.480	3.506	1	0		IHAFMM
Cc1cc(COc2ccc(CCCC3(C)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1	ZINC000028892512	563068462	/nfs/dbraw/zinc/06/84/62/563068462.db2.gz	LCCNKKCDBVJHEV-UHFFFAOYSA-N	-1	1	431.492	3.817	1	0		IHAFMM
COc1ccc(-c2oc3c4c(cc([O-])c3c(=O)c2OS(C)(=O)=O)OC(C)(C)CC4)cc1	ZINC000043077928	563118406	/nfs/dbraw/zinc/11/84/06/563118406.db2.gz	LLMXWIOHNWRODC-UHFFFAOYSA-N	-1	1	446.477	3.616	1	0		IHAFMM
O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NCC[C@@H]2CCC[NH2+]2)ccc2c1CCCC2	ZINC000014964529	563016315	/nfs/dbraw/zinc/01/63/15/563016315.db2.gz	BHDJVXNLOPBSSH-KRWDZBQOSA-N	-1	1	443.569	3.618	1	0		IHAFMM
CN(CC1OCCO1)[C@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@@H]1c1ccccc1	ZINC000028118943	563051021	/nfs/dbraw/zinc/05/10/21/563051021.db2.gz	GVJLGLPJXYJFIH-GJZUVCINSA-N	-1	1	446.503	3.800	1	0		IHAFMM
COC(CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c([O-])c2N[C@H]1c1ccccc1)OC	ZINC000028124993	563051195	/nfs/dbraw/zinc/05/11/95/563051195.db2.gz	FUXZKJRJNUZTKJ-OFVILXPXSA-N	-1	1	434.492	3.703	1	0		IHAFMM
COc1ccc2c(c1)c1oc(C(=O)Nc3nn[n-]n3)c(OC(C)C)c1n2-c1ccccc1	ZINC000029393597	563079083	/nfs/dbraw/zinc/07/90/83/563079083.db2.gz	DKEAZWZWBWVRHL-UHFFFAOYSA-N	-1	1	432.440	3.938	1	0		IHAFMM
Cc1ccc(N(CCN2CCC(OCC(=O)[O-])CC2)C(=O)c2cccc(Cl)c2)cc1	ZINC000043152956	563119147	/nfs/dbraw/zinc/11/91/47/563119147.db2.gz	KUCQIPQZGWGQAD-UHFFFAOYSA-N	-1	1	430.932	3.861	1	0		IHAFMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1	ZINC000008591154	562951937	/nfs/dbraw/zinc/95/19/37/562951937.db2.gz	BQGFONITRZJJEB-AWEZNQCLSA-N	-1	1	427.526	3.524	1	0		IHAFMM
COc1ccc(CCN2C(=O)COc3ccc(C=C4SC(=S)[N-]C4=O)cc32)cc1	ZINC000028883352	563067940	/nfs/dbraw/zinc/06/79/40/563067940.db2.gz	NWAQEMKFNBRNFN-WQRHYEAKSA-N	-1	1	426.519	3.992	1	0		IHAFMM
COc1ccc(CN2CCc3sc(/C=C4/C(=O)N5C(C(=O)[O-])=CS[C@H]45)cc3C2)cc1	ZINC000034717632	563086889	/nfs/dbraw/zinc/08/68/89/563086889.db2.gz	ZKKACLLQVNCVQU-VYBYYTRPSA-N	-1	1	440.546	3.540	1	0		IHAFMM
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc2c1OC(C)(C)[C@@H](O)[C@@H]2O	ZINC000040862026	563108184	/nfs/dbraw/zinc/10/81/84/563108184.db2.gz	KYGXFLIBLYFPAZ-KWOQKUFVSA-N	-1	1	440.492	3.878	1	0		IHAFMM
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c(=O)n(CC(=O)[O-])[nH]c32)cc1	ZINC000096269821	563196641	/nfs/dbraw/zinc/19/66/41/563196641.db2.gz	PDVZJQALXRERNL-UHFFFAOYSA-N	-1	1	440.402	3.947	1	0		IHAFMM
NC(=O)Cc1c2cc(OCCC[P@](=O)([O-])O)ccc2n(Cc2ccccc2)c1C1CC1	ZINC000013445969	562986969	/nfs/dbraw/zinc/98/69/69/562986969.db2.gz	MAYQVXCEHNKYHR-UHFFFAOYSA-N	-1	1	442.452	3.541	1	0		IHAFMM
CCCCCOc1cccc(C=CC(=O)Nc2cccc3c2O[C@H](c2nn[n-]n2)CO3)c1	ZINC000028005834	563049452	/nfs/dbraw/zinc/04/94/52/563049452.db2.gz	FLVULROWBMBEMN-SGWGQVFISA-N	-1	1	435.484	3.933	1	0		IHAFMM
Cc1cc2c(cc1C)N(CCCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)CC(=O)N2	ZINC000028366044	563053593	/nfs/dbraw/zinc/05/35/93/563053593.db2.gz	OFCQPQGFRGLCBR-UDWIEESQSA-N	-1	1	437.521	3.855	1	0		IHAFMM
Cc1ncc([C@@H](CC(=O)[O-])Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)s1	ZINC000028568670	563058558	/nfs/dbraw/zinc/05/85/58/563058558.db2.gz	ZEEBGVAVQWCFLT-OAHLLOKOSA-N	-1	1	427.530	3.564	1	0		IHAFMM
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc2c1OC(C)(C)[C@H](O)[C@H]2O	ZINC000040862028	563108170	/nfs/dbraw/zinc/10/81/70/563108170.db2.gz	KYGXFLIBLYFPAZ-NGYIFUPDSA-N	-1	1	440.492	3.878	1	0		IHAFMM
COc1ccc2cc(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)c(=O)oc2c1	ZINC000049049513	563136784	/nfs/dbraw/zinc/13/67/84/563136784.db2.gz	YTTOZZPOHXERNF-UHFFFAOYSA-N	-1	1	435.457	3.833	1	0		IHAFMM